++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 23:22:02 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: ./2a2m-1.9-parrot-noncs/2a2m-1.9-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2a2m-1.9-parrot-noncs/2a2m-1.9-parrot-noncs.ins Phases from ./2a2m-1.9-parrot-noncs/2a2m-1.9-parrot-noncs.phi Native data from ./2a2m-1.9-parrot-noncs/2a2m-1.9-parrot-noncs.hkl Listing output to ./2a2m-1.9-parrot-noncs/2a2m-1.9-parrot-noncs.lst Phases output to ./2a2m-1.9-parrot-noncs/2a2m-1.9-parrot-noncs.phs Poly-Ala trace output to ./2a2m-1.9-parrot-noncs/2a2m-1.9-parrot-noncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: F 4 3 2 Allowed origin shift code: 14 74704 Reflections read from file ./2a2m-1.9-parrot-noncs/2a2m-1.9-parrot-noncs.phi 74704 Reflections read from file ./2a2m-1.9-parrot-noncs/2a2m-1.9-parrot-noncs.hkl 74704 Unique data, highest resolution = 1.880 Angstroms Anisotropic scaling: intensities multiplied by 0.000000h^2 +0.000000k^2 +0.000000l^2 +0.000000kl +0.000000hl +0.000000hk 74 Reflections with d > 2.080 and 0 in range 2.080 > d > 1.880 added Density sharpening factor set to 0.93 Fourier grid = 512 x 512 x 129 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|> = 0.721 = 0.292, Contrast = 0.140, Connect. = 0.533 for dens.mod. cycle 1 = 0.300, Contrast = 0.413, Connect. = 0.616 for dens.mod. cycle 2 = 0.300, Contrast = 0.738, Connect. = 0.725 for dens.mod. cycle 3 = 0.300, Contrast = 0.942, Connect. = 0.770 for dens.mod. cycle 4 = 0.300, Contrast = 1.063, Connect. = 0.792 for dens.mod. cycle 5 = 0.300, Contrast = 1.139, Connect. = 0.806 for dens.mod. cycle 6 = 0.300, Contrast = 1.186, Connect. = 0.814 for dens.mod. cycle 7 = 0.300, Contrast = 1.216, Connect. = 0.820 for dens.mod. cycle 8 = 0.300, Contrast = 1.236, Connect. = 0.824 for dens.mod. cycle 9 = 0.300, Contrast = 1.249, Connect. = 0.826 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3288 peaks > 0.5 sigma used to seed fragment search Space for about 1039 unique residues taking solvent into account 649 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 25 66.633 2.502 1.064 0.941 0.958 0.833 CB 1.907 B: 26 65.695 2.373 1.210 0.951 1.000 0.920 CA 1.727 C: 26 68.581 2.430 1.304 0.905 0.920 0.840 CB 1.894 25 residues pruned to eliminate duplicates D: 11 32.664 2.294 0.967 0.917 1.000 1.000 CB 1.615 E: 10 23.912 2.300 1.325 0.881 1.000 0.667 CB 1.080 F: 22 56.276 2.424 1.237 0.878 1.000 0.667 CB 1.643 G: 22 53.382 2.413 1.186 0.855 0.952 0.714 CA 1.712 22 residues pruned to eliminate duplicates H: 25 85.717 2.500 1.539 0.933 1.000 0.708 CA 1.923 26 residues pruned to eliminate duplicates I: 25 76.831 2.467 1.483 0.939 0.958 0.583 CB 1.856 25 residues pruned to eliminate duplicates J: 22 49.593 2.381 1.136 0.870 0.952 0.762 CA 1.632 K: 22 46.453 2.363 1.229 0.839 0.857 0.667 CA 1.677 22 residues pruned to eliminate duplicates L: 25 77.185 2.499 1.350 0.943 0.958 0.792 CB 1.940 25 residues pruned to eliminate duplicates M: 11 21.270 2.223 0.715 0.870 1.000 0.800 CB 1.288 11 residues pruned to eliminate duplicates N: 22 53.221 2.390 1.170 0.875 0.952 0.667 CB 1.711 22 residues pruned to eliminate duplicates O: 22 56.634 2.412 1.129 0.891 1.000 0.810 CB 1.730 22 residues pruned to eliminate duplicates P: 10 37.170 2.553 1.088 0.880 1.000 0.889 CB 1.685 11 residues pruned to eliminate duplicates Q: 11 28.137 2.377 0.804 0.800 1.000 0.900 CB 1.595 R: 25 81.018 2.463 1.640 0.932 0.958 0.583 CB 1.854 25 residues pruned to eliminate duplicates S: 11 37.815 2.413 1.232 0.904 1.000 0.900 CB 1.581 10 residues pruned to eliminate duplicates T: 26 47.462 2.423 0.819 0.952 0.960 0.960 CB 1.545 U: 22 43.170 2.374 0.888 0.854 0.952 0.857 CB 1.630 22 residues pruned to eliminate duplicates V: 32 57.788 2.336 1.098 0.944 1.000 0.839 CB 1.466 26 residues pruned to eliminate duplicates W: 33 55.569 2.320 1.161 0.868 0.969 0.656 CB 1.479 X: 28 51.700 2.330 1.026 0.825 0.963 0.704 CA 1.652 Y: 17 49.157 2.384 1.173 0.933 1.000 0.875 CA 1.655 Z: 25 72.875 2.493 1.294 0.956 0.958 0.708 CB 1.865 25 residues pruned to eliminate duplicates Z: 31 56.826 2.418 1.078 0.911 0.933 0.833 CB 1.569 31 residues pruned to eliminate duplicates Z: 11 20.639 2.362 0.697 0.850 0.900 0.900 CB 1.340 11 residues pruned to eliminate duplicates Z: 25 83.405 2.463 1.507 0.951 1.000 0.583 CB 1.900 26 residues pruned to eliminate duplicates Z: 25 86.008 2.486 1.642 0.951 1.000 0.458 CB 1.842 25 residues pruned to eliminate duplicates Z: 22 49.483 2.443 1.006 0.840 0.952 0.857 CA 1.726 22 residues pruned to eliminate duplicates Z: 17 43.777 2.360 0.984 0.935 1.000 1.000 CB 1.628 Z: 30 52.041 2.412 0.846 0.929 1.000 0.793 CB 1.519 30 residues pruned to eliminate duplicates Z: 18 45.031 2.247 1.121 0.926 1.000 0.882 CA 1.607 18 residues pruned to eliminate duplicates Z: 12 23.795 2.335 0.662 0.764 0.909 0.636 CA 1.609 Z: 19 47.192 2.282 1.027 0.914 1.000 0.889 CA 1.701 17 residues pruned to eliminate duplicates Z: 17 39.064 2.348 0.865 0.904 0.938 0.938 CB 1.695 17 residues pruned to eliminate duplicates Z: 25 78.270 2.452 1.715 0.916 0.958 0.542 CB 1.768 25 residues pruned to eliminate duplicates Z: 26 76.160 2.459 1.379 0.953 0.960 0.840 CB 1.867 26 residues pruned to eliminate duplicates Z: 30 57.977 2.394 1.196 0.944 0.966 0.759 CB 1.469 30 residues pruned to eliminate duplicates Z: 26 58.856 2.391 1.055 0.874 0.960 0.760 CA 1.817 26 residues pruned to eliminate duplicates Z: 24 77.587 2.525 1.497 0.919 0.957 0.652 CB 1.890 24 residues pruned to eliminate duplicates Z: 23 57.593 2.435 1.513 0.951 0.955 0.682 CB 1.449 23 residues pruned to eliminate duplicates Z: 19 47.001 2.286 1.153 0.949 1.000 1.000 CA 1.553 19 residues pruned to eliminate duplicates Z: 10 30.693 2.500 0.858 0.887 1.000 0.889 CB 1.588 10 residues pruned to eliminate duplicates Z: 11 18.631 2.346 0.560 0.797 0.800 0.600 CB 1.551 11 residues pruned to eliminate duplicates Z: 22 51.063 2.426 1.069 0.851 0.952 0.667 CA 1.727 22 residues pruned to eliminate duplicates Z: 17 66.761 2.564 1.519 0.901 0.938 0.688 CB 1.967 17 residues pruned to eliminate duplicates Z: 27 55.948 2.366 1.132 0.854 0.923 0.538 CA 1.740 27 residues pruned to eliminate duplicates Z: 27 49.657 2.276 1.053 0.878 0.923 0.654 CA 1.639 27 residues pruned to eliminate duplicates Z: 19 45.338 2.234 1.086 0.859 1.000 0.778 CB 1.688 19 residues pruned to eliminate duplicates Z: 32 53.983 2.332 0.862 0.925 1.000 0.742 CB 1.566 32 residues pruned to eliminate duplicates Z: 20 41.845 2.244 0.991 0.906 1.000 0.789 CA 1.528 20 residues pruned to eliminate duplicates Z: 28 53.773 2.358 0.972 0.849 0.963 0.778 CA 1.713 Z: 25 82.912 2.460 1.500 0.950 1.000 0.625 CA 1.899 25 residues pruned to eliminate duplicates Z: 31 61.519 2.411 1.088 0.944 0.967 0.933 CB 1.598 31 residues pruned to eliminate duplicates Z: 12 26.538 2.305 0.918 0.821 0.818 0.455 CA 1.674 12 residues pruned to eliminate duplicates Z: 12 24.189 2.282 0.781 0.720 1.000 0.636 CB 1.471 11 residues pruned to eliminate duplicates Z: 23 35.920 2.314 0.871 0.836 0.864 0.727 CB 1.533 23 residues pruned to eliminate duplicates Z: 11 29.508 2.266 1.194 0.891 1.000 0.900 CB 1.349 11 residues pruned to eliminate duplicates Z: 24 72.313 2.510 1.439 0.951 0.957 0.696 CB 1.775 24 residues pruned to eliminate duplicates Z: 21 52.946 2.287 1.197 0.857 1.000 0.500 CB 1.736 21 residues pruned to eliminate duplicates Z: 29 46.156 2.256 1.126 0.779 0.857 0.714 CB 1.659 29 residues pruned to eliminate duplicates Z: 24 70.876 2.500 1.271 0.935 1.000 0.870 CA 1.814 24 residues pruned to eliminate duplicates Z: 10 19.858 2.163 0.726 0.799 0.889 0.667 CA 1.536 11 residues pruned to eliminate duplicates Z: 26 64.214 2.418 1.261 0.892 0.960 0.880 CA 1.757 26 residues pruned to eliminate duplicates Z: 19 29.823 2.180 0.965 0.793 0.944 0.778 CB 1.343 Z: 20 52.368 2.497 1.115 0.862 0.947 0.632 CB 1.763 20 residues pruned to eliminate duplicates Z: 25 62.597 2.457 0.962 0.942 0.958 0.833 CA 1.917 25 residues pruned to eliminate duplicates Z: 20 49.608 2.262 1.239 0.939 1.000 0.895 CA 1.562 20 residues pruned to eliminate duplicates Z: 26 58.261 2.392 1.119 0.863 0.920 0.800 CB 1.833 26 residues pruned to eliminate duplicates Z: 18 46.964 2.348 1.137 0.875 1.000 0.706 CB 1.650 18 residues pruned to eliminate duplicates Z: 17 49.199 2.477 1.231 0.913 1.000 0.875 CB 1.575 16 residues pruned to eliminate duplicates Z: 22 54.314 2.413 1.310 0.870 0.905 0.810 CA 1.715 22 residues pruned to eliminate duplicates Z: 19 55.148 2.324 1.627 0.894 0.944 0.833 CB 1.618 19 residues pruned to eliminate duplicates Z: 22 48.118 2.392 1.006 0.936 1.000 0.952 CB 1.524 22 residues pruned to eliminate duplicates Z: 31 41.735 2.346 0.503 0.926 1.000 0.933 CB 1.516 31 residues pruned to eliminate duplicates Z: 22 53.819 2.417 1.182 0.840 1.000 0.571 CA 1.662 22 residues pruned to eliminate duplicates Z: 29 57.080 2.414 1.054 0.920 0.964 0.893 CB 1.588 29 residues pruned to eliminate duplicates Z: 28 55.977 2.356 1.091 0.831 0.963 0.630 CA 1.706 28 residues pruned to eliminate duplicates Z: 24 69.552 2.509 1.107 0.940 1.000 0.870 CB 1.905 24 residues pruned to eliminate duplicates Z: 28 40.140 2.230 0.736 0.823 0.926 0.741 CA 1.628 28 residues pruned to eliminate duplicates Z: 17 46.847 2.361 1.062 0.944 1.000 1.000 CB 1.666 17 residues pruned to eliminate duplicates Z: 22 63.385 2.405 1.421 0.883 1.000 0.857 CA 1.718 22 residues pruned to eliminate duplicates Z: 28 55.045 2.371 1.032 0.852 0.963 0.778 CA 1.688 28 residues pruned to eliminate duplicates Z: 12 24.837 2.268 0.757 0.800 0.909 0.636 CA 1.591 12 residues pruned to eliminate duplicates Z: 23 53.284 2.269 1.421 0.879 0.955 0.682 CB 1.571 23 residues pruned to eliminate duplicates Z: 27 50.066 2.343 0.856 0.844 0.962 0.769 CB 1.747 27 residues pruned to eliminate duplicates Z: 28 61.642 2.378 1.068 0.873 1.000 0.704 CB 1.757 28 residues pruned to eliminate duplicates Z: 10 33.482 2.517 1.013 0.869 1.000 0.667 CB 1.610 10 residues pruned to eliminate duplicates Z: 32 47.084 2.328 0.888 0.870 0.903 0.871 CB 1.555 32 residues pruned to eliminate duplicates Z: 19 40.973 2.333 0.856 0.907 0.944 0.889 CB 1.678 19 residues pruned to eliminate duplicates Z: 27 63.112 2.305 1.289 0.934 0.923 0.577 CB 1.773 Z: 22 57.407 2.334 1.427 0.853 1.000 0.714 CB 1.635 21 residues pruned to eliminate duplicates Z: 27 66.062 2.243 1.251 0.943 1.000 0.731 CB 1.778 27 residues pruned to eliminate duplicates Z: 24 74.590 2.532 1.379 0.901 1.000 0.870 CA 1.843 24 residues pruned to eliminate duplicates Z: 19 43.156 2.410 0.922 0.820 0.944 0.722 CB 1.761 19 residues pruned to eliminate duplicates Z: 26 65.248 2.401 1.250 0.914 0.960 0.920 CA 1.780 26 residues pruned to eliminate duplicates Z: 25 56.193 2.382 1.025 0.915 0.958 0.625 CB 1.753 25 residues pruned to eliminate duplicates Z: 17 48.157 2.450 1.194 0.865 0.938 0.625 CA 1.750 17 residues pruned to eliminate duplicates Z: 183 117.425 2.401 1.068 0.673 0.934 0.621 CB 1.600 122 residues pruned to eliminate duplicates Z: 22 46.611 2.356 1.020 0.868 0.952 0.810 CB 1.639 22 residues pruned to eliminate duplicates Z: 22 56.057 2.469 1.091 0.846 1.000 0.905 CA 1.761 22 residues pruned to eliminate duplicates Z: 32 64.765 2.347 1.277 0.916 1.000 0.516 CB 1.538 32 residues pruned to eliminate duplicates Z: 25 61.111 2.429 1.070 0.926 1.000 0.958 CA 1.740 25 residues pruned to eliminate duplicates Z: 27 48.826 2.447 0.689 0.960 1.000 0.962 CB 1.587 27 residues pruned to eliminate duplicates Z: 30 57.608 2.433 1.020 0.943 0.966 0.793 CB 1.562 30 residues pruned to eliminate duplicates Z: 89 99.789 2.448 1.131 0.750 0.989 0.761 CB 1.650 80 residues pruned to eliminate duplicates Z: 26 65.527 2.408 1.253 0.933 0.920 0.440 CB 1.833 26 residues pruned to eliminate duplicates Z: 13 32.942 2.260 1.078 0.855 1.000 0.833 CA 1.494 13 residues pruned to eliminate duplicates Z: 28 47.881 2.277 1.003 0.916 0.889 0.556 CB 1.605 28 residues pruned to eliminate duplicates Z: 22 46.993 2.430 0.992 0.830 0.952 0.810 CB 1.673 22 residues pruned to eliminate duplicates Z: 32 51.087 2.319 1.026 0.887 0.935 0.645 CB 1.505 32 residues pruned to eliminate duplicates Z: 17 55.490 2.396 1.437 0.948 1.000 0.875 CB 1.641 17 residues pruned to eliminate duplicates Z: 28 45.388 2.337 0.868 0.806 0.889 0.593 CA 1.724 28 residues pruned to eliminate duplicates Z: 22 45.412 2.406 0.946 0.903 0.952 0.810 CB 1.584 22 residues pruned to eliminate duplicates Z: 18 53.567 2.443 1.205 0.940 1.000 0.882 CB 1.674 18 residues pruned to eliminate duplicates Z: 15 39.035 2.395 1.038 0.944 0.929 0.786 CA 1.594 15 residues pruned to eliminate duplicates Z: 22 54.825 2.413 1.179 0.865 1.000 0.762 CA 1.667 22 residues pruned to eliminate duplicates Z: 6 14.274 2.086 0.674 0.699 1.000 0.800 CA 1.524 6 residues pruned to eliminate duplicates Z: 26 74.011 2.434 1.509 0.943 0.920 0.560 CB 1.826 26 residues pruned to eliminate duplicates Z: 25 65.146 2.390 1.180 0.942 1.000 0.875 CB 1.770 25 residues pruned to eliminate duplicates Z: 13 41.154 2.455 1.136 0.945 1.000 0.750 CB 1.568 13 residues pruned to eliminate duplicates Z: 33 67.897 2.322 1.598 0.891 0.969 0.594 CB 1.476 33 residues pruned to eliminate duplicates Z: 27 63.002 2.452 1.346 0.942 0.962 0.538 CB 1.548 27 residues pruned to eliminate duplicates Z: 26 68.719 2.261 1.374 0.948 1.000 0.680 CB 1.769 27 residues pruned to eliminate duplicates Z: 26 61.241 2.409 1.135 0.895 0.920 0.840 CB 1.856 26 residues pruned to eliminate duplicates Z: 19 44.596 2.321 1.091 0.914 0.944 0.833 CA 1.622 19 residues pruned to eliminate duplicates Z: 22 53.202 2.414 1.113 0.858 1.000 0.810 CA 1.676 22 residues pruned to eliminate duplicates Z: 185 133.685 2.419 1.209 0.697 0.946 0.630 CB 1.630 183 residues pruned to eliminate duplicates Z: 11 33.994 2.412 0.880 0.796 1.000 0.700 CB 1.829 12 residues pruned to eliminate duplicates Z: 28 55.055 2.327 1.117 0.826 0.963 0.704 CA 1.685 28 residues pruned to eliminate duplicates Z: 26 60.424 2.387 1.170 0.913 1.000 0.920 CA 1.651 26 residues pruned to eliminate duplicates Z: 27 55.748 2.380 0.932 0.868 0.962 0.692 CB 1.807 27 residues pruned to eliminate duplicates Z: 29 50.812 2.239 0.957 0.903 0.964 0.643 CB 1.620 29 residues pruned to eliminate duplicates Z: 31 56.595 2.384 0.925 0.949 1.000 0.933 CB 1.554 31 residues pruned to eliminate duplicates Z: 26 42.028 2.375 0.933 0.828 0.800 0.600 CB 1.723 26 residues pruned to eliminate duplicates Z: 25 68.232 2.422 1.560 0.907 0.917 0.500 CB 1.742 25 residues pruned to eliminate duplicates Z: 30 49.678 2.350 0.722 0.948 1.000 0.862 CB 1.574 30 residues pruned to eliminate duplicates Z: 27 44.178 2.389 0.824 0.919 0.923 0.808 CB 1.518 27 residues pruned to eliminate duplicates Z: 17 59.035 2.385 1.591 0.903 1.000 0.438 CB 1.703 17 residues pruned to eliminate duplicates Z: 27 57.058 2.428 1.142 0.949 0.962 0.731 CB 1.544 27 residues pruned to eliminate duplicates Z: 28 58.813 2.254 1.260 0.920 0.963 0.333 CB 1.625 28 residues pruned to eliminate duplicates Z: 15 36.772 2.326 1.307 0.849 0.929 0.500 CB 1.462 15 residues pruned to eliminate duplicates Z: 12 26.711 2.229 1.107 0.864 0.909 0.636 CB 1.382 12 residues pruned to eliminate duplicates Z: 13 40.888 2.449 1.024 0.943 1.000 0.833 CB 1.650 13 residues pruned to eliminate duplicates Z: 18 27.585 2.175 1.036 0.802 0.882 0.706 CB 1.315 18 residues pruned to eliminate duplicates Z: 30 70.576 2.443 1.491 0.955 1.000 0.828 CB 1.480 30 residues pruned to eliminate duplicates Z: 28 51.919 2.340 1.085 0.839 0.889 0.593 CB 1.721 28 residues pruned to eliminate duplicates Z: 19 29.001 2.124 0.709 0.881 1.000 0.833 CB 1.364 20 residues pruned to eliminate duplicates Z: 19 60.738 2.342 1.537 0.872 1.000 0.500 CB 1.757 19 residues pruned to eliminate duplicates Z: 21 28.881 2.014 1.157 0.826 0.950 0.600 CB 1.180 21 residues pruned to eliminate duplicates Z: 27 56.239 2.436 1.447 0.933 0.885 0.577 CB 1.460 27 residues pruned to eliminate duplicates Z: 26 63.573 2.360 1.479 0.941 1.000 0.640 CB 1.508 26 residues pruned to eliminate duplicates Z: 18 48.732 2.289 1.197 0.934 1.000 0.941 CA 1.639 18 residues pruned to eliminate duplicates Z: 27 56.490 2.357 1.052 0.895 0.923 0.731 CB 1.779 26 residues pruned to eliminate duplicates Z: 29 49.619 2.221 0.711 0.936 1.000 0.786 CA 1.718 29 residues pruned to eliminate duplicates Z: 30 51.893 2.368 0.920 0.908 1.000 0.897 CB 1.506 30 residues pruned to eliminate duplicates Z: 17 64.027 2.428 1.623 0.937 0.938 0.500 CB 1.867 17 residues pruned to eliminate duplicates Z: 19 42.334 2.443 0.859 0.845 0.944 0.778 CB 1.729 19 residues pruned to eliminate duplicates Z: 15 33.390 2.239 1.097 0.844 0.929 0.643 CB 1.523 15 residues pruned to eliminate duplicates Z: 18 30.830 2.153 0.832 0.806 0.882 0.647 CB 1.645 18 residues pruned to eliminate duplicates Z: 18 40.974 2.247 0.972 0.885 0.941 0.824 CB 1.720 18 residues pruned to eliminate duplicates Z: 23 50.597 2.395 1.296 0.908 0.955 0.727 CB 1.460 23 residues pruned to eliminate duplicates Z: 15 36.313 2.289 0.852 0.886 1.000 0.714 CB 1.651 15 residues pruned to eliminate duplicates Z: 12 26.480 2.231 0.580 0.935 1.000 1.000 CA 1.578 12 residues pruned to eliminate duplicates Z: 27 60.446 2.331 1.144 0.924 0.962 0.808 CA 1.732 27 residues pruned to eliminate duplicates Z: 21 39.720 2.347 0.955 0.843 0.950 0.850 CA 1.517 21 residues pruned to eliminate duplicates Z: 28 45.655 2.245 0.861 0.863 0.963 0.667 CB 1.602 28 residues pruned to eliminate duplicates Z: 28 58.800 2.268 1.447 0.902 0.889 0.667 CB 1.637 28 residues pruned to eliminate duplicates Z: 18 49.525 2.469 1.215 0.950 0.941 0.647 CB 1.610 18 residues pruned to eliminate duplicates Z: 27 48.197 2.280 0.932 0.897 0.923 0.769 CB 1.664 27 residues pruned to eliminate duplicates Z: 31 67.529 2.445 1.372 0.887 1.000 0.633 CB 1.533 31 residues pruned to eliminate duplicates Z: 24 63.216 2.336 1.376 0.948 0.957 0.565 CB 1.715 24 residues pruned to eliminate duplicates Z: 16 41.913 2.446 0.868 0.948 1.000 0.933 CB 1.635 16 residues pruned to eliminate duplicates Z: 18 56.862 2.295 1.390 0.953 1.000 0.706 CA 1.730 18 residues pruned to eliminate duplicates Z: 31 67.714 2.382 1.458 0.946 0.967 0.667 CB 1.511 31 residues pruned to eliminate duplicates Z: 22 51.731 2.416 1.014 0.885 0.952 0.810 CB 1.759 22 residues pruned to eliminate duplicates Z: 18 47.024 2.384 1.119 0.922 1.000 0.765 CB 1.588 18 residues pruned to eliminate duplicates Z: 30 69.962 2.426 1.557 0.944 0.931 0.483 CB 1.558 30 residues pruned to eliminate duplicates Z: 18 60.022 2.398 1.487 0.908 1.000 0.588 CB 1.733 18 residues pruned to eliminate duplicates Z: 11 28.253 2.412 0.707 0.784 1.000 0.600 CA 1.689 11 residues pruned to eliminate duplicates Z: 17 47.521 2.384 1.162 0.923 1.000 0.938 CA 1.620 17 residues pruned to eliminate duplicates Z: 23 44.203 2.311 1.093 0.830 0.909 0.773 CB 1.611 23 residues pruned to eliminate duplicates Z: 32 53.377 2.362 0.937 0.900 0.968 0.774 CB 1.546 32 residues pruned to eliminate duplicates Z: 24 74.174 2.525 1.421 0.904 0.957 0.478 CB 1.883 24 residues pruned to eliminate duplicates Z: 26 66.973 2.386 1.235 0.904 1.000 0.880 CA 1.789 26 residues pruned to eliminate duplicates Z: 69 69.479 2.386 1.005 0.608 0.985 0.676 CB 1.614 69 residues pruned to eliminate duplicates Z: 18 34.566 2.175 1.162 0.860 1.000 0.529 CB 1.310 17 residues pruned to eliminate duplicates Z: 12 24.224 2.070 0.577 0.861 1.000 0.818 CA 1.644 12 residues pruned to eliminate duplicates Z: 21 44.448 2.466 0.802 0.897 0.950 0.900 CB 1.686 21 residues pruned to eliminate duplicates Z: 31 67.047 2.417 1.529 0.942 0.933 0.600 CB 1.488 31 residues pruned to eliminate duplicates Z: 26 75.153 2.365 1.437 0.917 1.000 0.320 CB 1.840 26 residues pruned to eliminate duplicates Z: 27 63.849 2.426 1.469 0.938 0.962 0.385 CB 1.512 27 residues pruned to eliminate duplicates Z: 34 49.404 2.395 1.151 0.621 0.879 0.485 CB 1.694 34 residues pruned to eliminate duplicates Z: 25 59.587 2.411 1.084 0.917 1.000 0.750 CA 1.709 25 residues pruned to eliminate duplicates Z: 31 68.422 2.381 1.520 0.898 1.000 0.367 CB 1.490 31 residues pruned to eliminate duplicates Z: 17 33.997 2.263 0.869 0.822 0.938 0.750 CB 1.621 17 residues pruned to eliminate duplicates Z: 31 50.655 2.326 0.879 0.901 0.967 0.833 CB 1.562 31 residues pruned to eliminate duplicates Z: 18 25.326 2.217 0.473 0.845 1.000 0.765 CB 1.399 Z: 7 10.308 2.039 0.573 0.575 0.833 0.667 CB 1.465 7 residues pruned to eliminate duplicates Z: 18 32.800 2.188 0.902 0.903 1.000 0.824 CB 1.363 18 residues pruned to eliminate duplicates Z: 129 124.607 2.432 1.279 0.743 0.984 0.625 CB 1.625 119 residues pruned to eliminate duplicates Z: 18 32.366 2.217 0.807 0.878 1.000 0.765 CB 1.422 18 residues pruned to eliminate duplicates Z: 27 53.413 2.320 0.949 0.892 0.962 0.500 CB 1.731 27 residues pruned to eliminate duplicates Z: 11 24.819 2.255 0.741 0.885 1.000 0.900 CB 1.442 11 residues pruned to eliminate duplicates Z: 13 36.083 2.416 0.873 0.919 1.000 0.833 CB 1.622 13 residues pruned to eliminate duplicates Z: 28 58.048 2.276 0.951 0.946 1.000 0.815 CB 1.740 28 residues pruned to eliminate duplicates Z: 33 64.978 2.310 1.529 0.883 0.969 0.406 CB 1.467 33 residues pruned to eliminate duplicates Z: 17 34.848 2.105 0.979 0.831 1.000 0.938 CA 1.572 17 residues pruned to eliminate duplicates Z: 16 32.512 2.226 0.876 0.830 0.867 0.533 CA 1.744 16 residues pruned to eliminate duplicates Z: 10 18.499 1.984 0.669 0.807 1.000 0.778 CA 1.425 10 residues pruned to eliminate duplicates Z: 28 55.500 2.361 0.995 0.832 0.963 0.593 CA 1.768 28 residues pruned to eliminate duplicates Z: 28 61.080 2.404 1.448 0.936 0.963 0.593 CB 1.444 28 residues pruned to eliminate duplicates Z: 28 60.815 2.350 1.127 0.889 0.963 0.815 CB 1.750 28 residues pruned to eliminate duplicates Z: 31 72.877 2.398 1.528 0.957 1.000 0.700 CB 1.507 31 residues pruned to eliminate duplicates Z: 32 61.221 2.341 1.311 0.942 0.968 0.645 CB 1.456 32 residues pruned to eliminate duplicates Z: 28 47.539 2.273 0.805 0.922 0.926 0.852 CA 1.694 28 residues pruned to eliminate duplicates Z: 27 59.363 2.230 1.136 0.934 1.000 0.885 CA 1.705 27 residues pruned to eliminate duplicates Z: 22 59.019 2.400 1.226 0.882 1.000 0.810 CB 1.744 22 residues pruned to eliminate duplicates Z: 32 65.183 2.384 1.614 0.929 0.903 0.645 CB 1.455 32 residues pruned to eliminate duplicates Z: 6 6.948 1.812 0.340 0.865 1.000 1.000 CB 0.938 6 residues pruned to eliminate duplicates Z: 26 56.178 2.386 0.989 0.924 0.960 0.960 CA 1.731 26 residues pruned to eliminate duplicates Z: 28 57.438 2.380 1.113 0.827 0.926 0.778 CA 1.788 28 residues pruned to eliminate duplicates Z: 32 52.823 2.299 0.961 0.933 0.968 0.806 CB 1.517 32 residues pruned to eliminate duplicates Z: 26 62.197 2.275 1.263 0.929 0.960 0.560 CB 1.761 26 residues pruned to eliminate duplicates Z: 18 51.641 2.323 1.393 0.884 0.941 0.529 CB 1.730 18 residues pruned to eliminate duplicates Z: 32 42.775 2.325 0.529 0.912 1.000 0.903 CB 1.531 32 residues pruned to eliminate duplicates Z: 25 50.338 2.394 0.848 0.905 1.000 0.958 CA 1.653 25 residues pruned to eliminate duplicates Z: 32 41.778 2.294 1.081 0.673 0.903 0.516 CB 1.484 32 residues pruned to eliminate duplicates Z: 17 39.652 2.354 0.796 0.942 1.000 1.000 CB 1.625 17 residues pruned to eliminate duplicates Z: 17 60.087 2.510 1.383 0.910 0.938 0.500 CB 1.900 17 residues pruned to eliminate duplicates Z: 25 86.705 2.511 1.646 0.943 0.958 0.667 CB 1.926 26 residues pruned to eliminate duplicates Z: 180 121.005 2.369 1.160 0.683 0.944 0.637 CB 1.582 158 residues pruned to eliminate duplicates Z: 27 56.230 2.307 1.233 0.919 0.923 0.462 CB 1.635 27 residues pruned to eliminate duplicates Z: 18 33.319 2.230 0.890 0.878 1.000 0.706 CB 1.391 18 residues pruned to eliminate duplicates Z: 28 54.647 2.258 1.206 0.910 0.926 0.630 CB 1.617 28 residues pruned to eliminate duplicates Z: 14 19.065 2.295 0.652 0.519 0.846 0.462 CB 1.618 14 residues pruned to eliminate duplicates Z: 27 60.280 2.304 1.305 0.934 0.923 0.577 CB 1.681 27 residues pruned to eliminate duplicates Z: 171 141.144 2.439 1.253 0.727 0.971 0.682 CB 1.654 141 residues pruned to eliminate duplicates Z: 30 63.988 2.394 1.407 0.948 0.966 0.759 CB 1.475 30 residues pruned to eliminate duplicates Z: 22 63.190 2.527 1.124 0.937 1.000 0.714 CB 1.788 22 residues pruned to eliminate duplicates Z: 21 54.108 2.475 1.154 0.868 1.000 0.750 CA 1.659 21 residues pruned to eliminate duplicates Z: 35 57.809 2.405 1.129 0.664 1.000 0.559 CB 1.664 35 residues pruned to eliminate duplicates Z: 18 51.205 2.375 1.401 0.902 1.000 0.824 CB 1.554 18 residues pruned to eliminate duplicates Z: 27 51.248 2.420 1.022 0.814 0.885 0.423 CB 1.767 27 residues pruned to eliminate duplicates Z: 28 53.944 2.403 1.042 0.847 0.926 0.778 CA 1.696 28 residues pruned to eliminate duplicates Z: 28 56.633 2.405 1.211 0.922 0.926 0.667 CB 1.557 28 residues pruned to eliminate duplicates Z: 26 72.476 2.429 1.490 0.905 0.920 0.760 CB 1.853 26 residues pruned to eliminate duplicates Z: 28 55.717 2.283 1.022 0.932 0.963 0.778 CA 1.685 28 residues pruned to eliminate duplicates Z: 39 41.953 2.305 1.183 0.584 0.868 0.500 CB 1.437 39 residues pruned to eliminate duplicates Z: 30 57.071 2.242 1.405 0.924 0.966 0.621 CB 1.430 30 residues pruned to eliminate duplicates Z: 23 83.392 2.576 1.498 0.937 1.000 0.727 CB 1.923 23 residues pruned to eliminate duplicates Z: 19 28.283 2.155 0.916 0.773 0.944 0.667 CB 1.343 20 residues pruned to eliminate duplicates Z: 11 32.766 2.321 1.355 0.881 1.000 0.700 CB 1.373 11 residues pruned to eliminate duplicates Z: 7 12.149 1.789 0.732 0.736 1.000 0.667 CB 1.295 7 residues pruned to eliminate duplicates Z: 26 63.419 2.480 1.468 0.939 0.920 0.760 CB 1.565 26 residues pruned to eliminate duplicates Z: 15 28.593 2.174 1.017 0.837 0.929 0.643 CB 1.404 15 residues pruned to eliminate duplicates Z: 27 54.187 2.389 1.044 0.829 0.923 0.615 CB 1.773 27 residues pruned to eliminate duplicates Z: 27 63.830 2.433 1.217 0.818 1.000 0.692 CA 1.760 27 residues pruned to eliminate duplicates Z: 20 56.557 2.366 1.254 0.852 1.000 0.579 CB 1.799 20 residues pruned to eliminate duplicates Z: 29 44.198 2.155 1.254 0.847 0.786 0.429 CB 1.625 29 residues pruned to eliminate duplicates Z: 11 16.062 2.196 0.262 0.841 0.800 0.700 CB 1.709 11 residues pruned to eliminate duplicates Z: 31 57.381 2.384 1.171 0.950 0.933 0.833 CB 1.496 31 residues pruned to eliminate duplicates Z: 26 62.359 2.315 1.348 0.946 0.920 0.320 CB 1.725 26 residues pruned to eliminate duplicates Z: 27 59.709 2.349 1.052 0.929 0.962 0.769 CB 1.768 27 residues pruned to eliminate duplicates Z: 7 8.063 1.687 0.443 0.707 1.000 0.333 CA 1.121 7 residues pruned to eliminate duplicates Z: 129 115.489 2.451 1.108 0.739 0.969 0.758 CB 1.646 129 residues pruned to eliminate duplicates Z: 31 75.955 2.432 1.638 0.947 1.000 0.867 CB 1.494 31 residues pruned to eliminate duplicates Z: 19 49.879 2.285 1.634 0.839 0.889 0.611 CA 1.641 19 residues pruned to eliminate duplicates Z: 32 67.973 2.311 1.471 0.919 0.968 0.323 CB 1.557 32 residues pruned to eliminate duplicates Z: 27 65.530 2.380 1.294 0.860 0.962 0.808 CA 1.800 27 residues pruned to eliminate duplicates Z: 132 122.479 2.434 1.373 0.732 0.962 0.595 CB 1.563 132 residues pruned to eliminate duplicates Z: 26 38.001 2.136 0.918 0.835 0.960 0.680 CB 1.448 26 residues pruned to eliminate duplicates Z: 27 53.142 2.247 1.056 0.929 0.962 0.538 CB 1.642 27 residues pruned to eliminate duplicates Z: 12 25.669 2.182 0.895 0.832 0.909 0.545 CA 1.546 12 residues pruned to eliminate duplicates Z: 28 54.854 2.316 1.296 0.822 0.852 0.556 CB 1.763 28 residues pruned to eliminate duplicates Z: 18 33.006 2.180 1.068 0.881 1.000 0.647 CB 1.286 19 residues pruned to eliminate duplicates Z: 113 100.459 2.394 1.059 0.718 0.964 0.732 CB 1.640 113 residues pruned to eliminate duplicates Z: 7 6.369 1.524 0.394 0.765 0.833 0.833 CA 1.162 6 residues pruned to eliminate duplicates Z: 30 65.538 2.383 1.447 0.937 1.000 0.276 CB 1.452 30 residues pruned to eliminate duplicates Z: 21 32.651 2.117 1.073 0.792 0.950 0.500 CB 1.355 21 residues pruned to eliminate duplicates Z: 32 53.478 2.320 1.101 0.899 0.903 0.484 CB 1.559 32 residues pruned to eliminate duplicates Z: 7 9.226 1.861 0.328 0.869 0.833 0.833 CA 1.335 7 residues pruned to eliminate duplicates Z: 9 17.750 2.448 1.155 0.853 0.875 0.250 CB 1.004 9 residues pruned to eliminate duplicates Z: 27 61.742 2.177 1.347 0.935 0.962 0.654 CB 1.717 27 residues pruned to eliminate duplicates Z: 29 61.067 2.328 1.395 0.929 1.000 0.714 CB 1.448 29 residues pruned to eliminate duplicates Z: 80 77.678 2.419 0.965 0.701 0.962 0.772 CB 1.592 80 residues pruned to eliminate duplicates Z: 27 45.773 2.311 1.016 0.863 0.808 0.538 CB 1.749 27 residues pruned to eliminate duplicates Z: 8 5.802 1.717 1.098 0.210 0.714 0.286 CB 1.200 8 residues pruned to eliminate duplicates Z: 26 78.496 2.427 1.585 0.934 0.920 0.680 CB 1.897 26 residues pruned to eliminate duplicates Z: 28 37.700 2.268 0.874 0.781 0.852 0.593 CB 1.564 28 residues pruned to eliminate duplicates Z: 7 7.897 1.826 1.078 0.725 0.833 0.667 CB 0.832 7 residues pruned to eliminate duplicates Z: 17 59.269 2.377 1.588 0.896 1.000 0.312 CB 1.726 17 residues pruned to eliminate duplicates Z: 12 36.193 2.314 1.033 0.810 1.000 0.636 CB 1.771 12 residues pruned to eliminate duplicates Z: 18 36.499 2.180 1.117 0.890 1.000 0.529 CB 1.380 18 residues pruned to eliminate duplicates Z: 26 62.325 2.377 1.614 0.931 0.920 0.480 CB 1.524 26 residues pruned to eliminate duplicates Z: 10 36.244 2.580 1.001 0.900 1.000 0.778 CB 1.672 10 residues pruned to eliminate duplicates Z: 27 55.843 2.410 1.053 0.808 0.962 0.769 CB 1.760 27 residues pruned to eliminate duplicates Z: 18 49.904 2.501 1.261 0.886 1.000 0.941 CB 1.544 18 residues pruned to eliminate duplicates Z: 26 53.337 2.259 0.904 0.927 1.000 0.800 CB 1.737 26 residues pruned to eliminate duplicates Z: 59 75.920 2.462 1.164 0.695 0.983 0.724 CB 1.593 59 residues pruned to eliminate duplicates Z: 27 60.239 2.415 1.026 0.857 1.000 0.692 CA 1.780 27 residues pruned to eliminate duplicates Z: 142 113.062 2.425 1.089 0.705 0.972 0.709 CB 1.605 143 residues pruned to eliminate duplicates Z: 66 71.539 2.442 1.034 0.700 0.969 0.754 CB 1.536 66 residues pruned to eliminate duplicates Z: 11 25.626 2.133 0.781 0.882 1.000 0.900 CA 1.543 11 residues pruned to eliminate duplicates Z: 37 54.707 2.356 1.080 0.658 0.972 0.722 CB 1.652 37 residues pruned to eliminate duplicates Z: 28 57.997 2.321 1.201 0.846 0.963 0.704 CB 1.687 28 residues pruned to eliminate duplicates Z: 7 4.083 1.764 0.208 0.502 0.667 0.667 CB 1.171 7 residues pruned to eliminate duplicates Z: 26 47.921 2.359 0.774 0.902 0.920 0.760 CB 1.775 25 residues pruned to eliminate duplicates Z: 8 12.392 1.728 0.738 0.869 1.000 1.000 CB 1.139 8 residues pruned to eliminate duplicates Z: 30 56.516 2.386 1.091 0.958 0.966 0.966 CB 1.494 30 residues pruned to eliminate duplicates Z: 6 7.351 1.749 0.544 0.682 0.800 0.800 CA 1.288 6 residues pruned to eliminate duplicates Z: 25 60.116 2.399 1.087 0.955 1.000 0.958 CA 1.684 25 residues pruned to eliminate duplicates Z: 24 38.387 2.229 0.677 0.902 0.957 0.870 CA 1.597 24 residues pruned to eliminate duplicates Z: 185 121.325 2.411 1.109 0.688 0.929 0.641 CB 1.593 185 residues pruned to eliminate duplicates Z: 18 32.858 2.195 1.018 0.880 1.000 0.706 CB 1.304 18 residues pruned to eliminate duplicates Z: 18 35.479 2.207 1.063 0.866 1.000 0.647 CB 1.383 18 residues pruned to eliminate duplicates Z: 28 51.234 2.262 1.008 0.817 1.000 0.667 CA 1.648 28 residues pruned to eliminate duplicates Z: 17 55.569 2.384 1.449 0.910 1.000 0.875 CB 1.687 17 residues pruned to eliminate duplicates Z: 129 115.149 2.421 1.095 0.751 0.953 0.789 CB 1.683 129 residues pruned to eliminate duplicates 6 1.779 1.273 0.804 0.506 0.600 0.400 CB 0.574 ? Z: 17 34.643 2.275 0.949 0.882 1.000 0.875 CB 1.413 17 residues pruned to eliminate duplicates Z: 32 55.200 2.290 1.351 0.886 0.903 0.290 CB 1.471 32 residues pruned to eliminate duplicates Z: 64 86.794 2.393 1.135 0.820 0.968 0.825 CB 1.674 64 residues pruned to eliminate duplicates Z: 48 52.109 2.368 0.981 0.600 0.894 0.574 CB 1.648 48 residues pruned to eliminate duplicates Z: 113 97.723 2.378 1.100 0.723 0.946 0.723 CB 1.598 113 residues pruned to eliminate duplicates Z: 19 48.874 2.279 1.225 0.876 1.000 0.667 CB 1.651 19 residues pruned to eliminate duplicates Z: 142 122.684 2.395 1.300 0.718 0.965 0.617 CB 1.596 142 residues pruned to eliminate duplicates Z: 25 65.810 2.468 1.125 0.929 1.000 0.833 CA 1.793 25 residues pruned to eliminate duplicates Z: 17 47.942 2.272 1.424 0.859 1.000 0.688 CB 1.602 17 residues pruned to eliminate duplicates Z: 25 69.686 2.490 1.254 0.890 0.958 0.875 CB 1.903 25 residues pruned to eliminate duplicates Z: 22 43.567 2.320 0.923 0.879 0.952 0.762 CB 1.622 22 residues pruned to eliminate duplicates Z: 142 110.674 2.364 1.112 0.717 0.972 0.688 CB 1.578 142 residues pruned to eliminate duplicates Z: 28 58.208 2.336 1.112 0.848 0.963 0.481 CB 1.749 28 residues pruned to eliminate duplicates Z: 30 68.788 2.485 1.223 0.929 1.000 0.690 CB 1.618 30 residues pruned to eliminate duplicates Z: 55 78.429 2.497 1.111 0.805 0.981 0.815 CB 1.581 55 residues pruned to eliminate duplicates Z: 26 62.736 2.396 1.363 0.939 1.000 0.560 CB 1.539 26 residues pruned to eliminate duplicates Z: 7 10.786 1.900 0.383 0.877 1.000 0.667 CA 1.216 7 residues pruned to eliminate duplicates Z: 7 5.925 1.730 1.080 0.245 0.667 0.500 CB 1.354 Z: 145 101.887 2.367 1.073 0.691 0.938 0.653 CB 1.551 145 residues pruned to eliminate duplicates Z: 6 15.054 1.933 0.735 0.789 1.000 0.800 CA 1.557 6 residues pruned to eliminate duplicates Z: 29 61.862 2.369 1.144 0.837 0.964 0.821 CA 1.785 29 residues pruned to eliminate duplicates Z: 217 158.882 2.413 1.271 0.741 0.972 0.667 CB 1.634 215 residues pruned to eliminate duplicates Z: 21 45.850 2.439 0.979 0.872 0.950 0.650 CB 1.630 21 residues pruned to eliminate duplicates Z: 7 8.821 1.817 0.777 0.457 0.833 0.667 CB 1.398 7 residues pruned to eliminate duplicates Z: 22 51.566 2.408 1.126 0.857 1.000 0.810 CA 1.620 22 residues pruned to eliminate duplicates Z: 168 131.537 2.395 1.236 0.730 0.958 0.605 CB 1.612 168 residues pruned to eliminate duplicates Z: 47 63.158 2.434 1.144 0.650 0.978 0.674 CB 1.587 47 residues pruned to eliminate duplicates Z: 47 75.374 2.347 1.302 0.793 0.978 0.761 CB 1.626 45 residues pruned to eliminate duplicates Z: 46 71.126 2.456 0.943 0.850 1.000 0.933 CB 1.646 46 residues pruned to eliminate duplicates Z: 11 4.611 1.861 0.462 0.290 0.800 0.400 CB 0.849 11 residues pruned to eliminate duplicates Z: 18 46.448 2.347 1.250 0.864 1.000 0.353 CB 1.565 18 residues pruned to eliminate duplicates Z: 16 21.852 2.226 0.835 0.459 0.933 0.600 CB 1.543 16 residues pruned to eliminate duplicates Z: 20 31.483 2.217 0.653 0.852 0.895 0.632 CA 1.630 20 residues pruned to eliminate duplicates Z: 6 12.015 1.839 0.777 0.859 1.000 1.000 CA 1.210 6 residues pruned to eliminate duplicates Z: 38 45.246 2.135 1.076 0.689 0.865 0.622 CA 1.632 38 residues pruned to eliminate duplicates Z: 27 56.968 2.375 1.233 0.923 1.000 0.692 CB 1.481 27 residues pruned to eliminate duplicates Z: 27 55.672 2.318 1.114 0.908 0.923 0.538 CB 1.714 27 residues pruned to eliminate duplicates Z: 15 28.349 2.196 1.082 0.820 0.929 0.643 CB 1.352 15 residues pruned to eliminate duplicates Z: 27 47.992 2.262 0.802 0.888 1.000 0.808 CA 1.664 27 residues pruned to eliminate duplicates Z: 17 22.193 2.341 0.690 0.531 0.875 0.562 CB 1.554 17 residues pruned to eliminate duplicates Z: 29 56.896 2.332 0.997 0.856 1.000 0.750 CA 1.703 29 residues pruned to eliminate duplicates Z: 30 34.937 2.203 1.023 0.542 0.966 0.483 CB 1.448 30 residues pruned to eliminate duplicates Z: 179 119.745 2.371 1.144 0.678 0.944 0.562 CB 1.588 142 residues pruned to eliminate duplicates Z: 30 59.951 2.443 1.068 0.922 1.000 0.759 CB 1.549 30 residues pruned to eliminate duplicates Z: 25 67.082 2.449 1.334 0.924 0.917 0.375 CB 1.836 Z: 21 61.608 2.308 1.661 0.958 1.000 0.650 CB 1.537 21 residues pruned to eliminate duplicates Z: 20 48.636 2.219 1.174 0.928 1.000 0.895 CA 1.619 20 residues pruned to eliminate duplicates Z: 27 62.324 2.306 1.238 0.925 0.962 0.269 CB 1.728 27 residues pruned to eliminate duplicates Z: 77 97.529 2.464 1.135 0.801 1.000 0.803 CB 1.636 77 residues pruned to eliminate duplicates Z: 122 104.722 2.411 1.243 0.680 0.950 0.595 CB 1.570 122 residues pruned to eliminate duplicates Z: 8 3.005 1.399 0.881 0.622 0.571 0.286 CB 0.673 8 residues pruned to eliminate duplicates Z: 68 66.398 2.285 1.008 0.684 0.925 0.627 CB 1.614 67 residues pruned to eliminate duplicates Z: 12 41.153 2.327 1.445 0.891 1.000 0.545 CA 1.567 12 residues pruned to eliminate duplicates Z: 25 61.479 2.434 1.382 0.930 0.958 0.542 CB 1.579 25 residues pruned to eliminate duplicates Z: 130 113.165 2.418 1.085 0.742 0.969 0.767 CB 1.642 130 residues pruned to eliminate duplicates Z: 27 47.086 2.422 0.831 0.838 0.923 0.500 CB 1.685 27 residues pruned to eliminate duplicates Z: 27 56.755 2.436 1.285 0.936 0.923 0.692 CB 1.508 27 residues pruned to eliminate duplicates Z: 106 113.657 2.450 1.360 0.757 0.971 0.571 CB 1.571 106 residues pruned to eliminate duplicates Z: 31 58.151 2.359 1.244 0.923 0.933 0.700 CB 1.510 31 residues pruned to eliminate duplicates Z: 31 59.765 2.379 1.239 0.914 0.967 0.533 CB 1.498 31 residues pruned to eliminate duplicates Z: 17 45.654 2.273 1.108 0.850 1.000 0.750 CA 1.765 17 residues pruned to eliminate duplicates Z: 8 3.472 1.744 0.287 0.370 0.571 0.429 N 1.175 Z: 32 37.364 2.281 0.654 0.898 0.903 0.677 CB 1.409 32 residues pruned to eliminate duplicates Z: 9 6.348 2.251 0.679 0.377 0.875 0.750 CB 0.774 Z: 24 77.390 2.399 1.617 0.953 1.000 0.652 CB 1.769 25 residues pruned to eliminate duplicates Z: 23 49.621 2.441 1.177 0.779 0.909 0.682 CB 1.713 23 residues pruned to eliminate duplicates Z: 81 95.623 2.449 1.105 0.782 0.975 0.838 CB 1.659 81 residues pruned to eliminate duplicates Z: 6 4.642 1.830 0.290 0.455 0.600 0.400 N 1.535 Z: 29 46.939 2.294 1.142 0.925 0.929 0.714 CB 1.365 29 residues pruned to eliminate duplicates Z: 19 30.626 2.089 0.885 0.888 1.000 0.611 CB 1.320 5 residues pruned to eliminate duplicates Z: 16 47.424 2.471 1.302 0.923 0.933 0.533 CB 1.621 16 residues pruned to eliminate duplicates Z: 28 46.531 2.485 1.051 0.745 0.926 0.778 CB 1.524 28 residues pruned to eliminate duplicates Z: 28 51.467 2.391 1.015 0.919 1.000 0.778 CB 1.449 28 residues pruned to eliminate duplicates Z: 14 28.062 2.039 0.983 0.876 1.000 0.846 CA 1.399 14 residues pruned to eliminate duplicates Z: 182 123.681 2.372 1.154 0.676 0.972 0.635 CB 1.574 143 residues pruned to eliminate duplicates Z: 27 50.318 2.395 1.071 0.918 0.923 0.808 CB 1.520 27 residues pruned to eliminate duplicates Z: 22 41.452 2.293 1.074 0.848 0.952 0.619 CB 1.481 22 residues pruned to eliminate duplicates Z: 123 80.767 2.322 0.916 0.720 0.885 0.639 CB 1.522 123 residues pruned to eliminate duplicates Z: 22 26.776 2.176 1.209 0.570 0.810 0.238 CB 1.404 28 residues pruned to eliminate duplicates Z: 30 15.660 1.957 0.575 0.365 0.862 0.552 CB 1.266 30 residues pruned to eliminate duplicates Z: 11 19.080 2.007 0.941 0.879 0.900 0.700 CB 1.249 11 residues pruned to eliminate duplicates Z: 27 45.718 2.368 0.770 0.909 0.962 0.846 CB 1.579 27 residues pruned to eliminate duplicates Z: 19 45.192 2.354 0.944 0.933 1.000 0.778 CB 1.624 19 residues pruned to eliminate duplicates Z: 17 60.732 2.387 1.477 0.924 1.000 0.375 CB 1.804 17 residues pruned to eliminate duplicates Z: 7 5.834 1.951 0.668 0.266 1.000 0.333 CB 0.956 7 residues pruned to eliminate duplicates Z: 179 123.811 2.355 1.266 0.680 0.944 0.596 CB 1.561 179 residues pruned to eliminate duplicates Z: 9 13.008 1.901 0.802 0.525 0.875 0.750 CA 1.497 9 residues pruned to eliminate duplicates Z: 38 63.251 2.355 1.135 0.794 1.000 0.703 CB 1.597 42 residues pruned to eliminate duplicates Z: 8 16.577 2.334 0.356 0.842 0.857 0.143 CB 1.720 8 residues pruned to eliminate duplicates Z: 24 36.886 2.371 0.972 0.531 0.957 0.565 CB 1.668 24 residues pruned to eliminate duplicates Z: 22 43.877 2.389 0.852 0.927 1.000 0.952 CB 1.516 22 residues pruned to eliminate duplicates Z: 20 28.059 2.029 1.002 0.807 0.947 0.421 CB 1.281 20 residues pruned to eliminate duplicates Z: 69 67.191 2.311 1.061 0.662 0.926 0.647 CB 1.589 69 residues pruned to eliminate duplicates Z: 8 20.061 2.094 0.876 0.801 1.000 0.571 CA 1.484 8 residues pruned to eliminate duplicates Z: 98 108.304 2.395 1.449 0.731 0.969 0.691 CB 1.571 98 residues pruned to eliminate duplicates Z: 6 5.599 1.595 0.220 0.720 1.000 0.800 CA 1.055 6 residues pruned to eliminate duplicates Z: 13 27.581 2.332 0.607 0.887 0.917 0.583 CB 1.670 13 residues pruned to eliminate duplicates Z: 6 4.892 1.523 0.860 0.454 1.000 0.600 CA 0.809 Z: 182 131.450 2.386 1.268 0.688 0.950 0.669 CB 1.599 69 residues pruned to eliminate duplicates Z: 7 9.293 1.797 0.934 0.617 0.833 0.500 CB 1.173 Z: 164 119.612 2.442 1.053 0.744 0.939 0.638 CB 1.601 164 residues pruned to eliminate duplicates Z: 28 51.361 2.303 1.068 0.848 0.926 0.815 CA 1.663 28 residues pruned to eliminate duplicates Z: 19 27.637 2.120 0.777 0.854 0.944 0.722 CB 1.353 19 residues pruned to eliminate duplicates 6 1.475 1.595 0.072 0.281 0.600 0.400 CB 0.824 ? Z: 10 31.982 2.461 1.152 0.851 1.000 0.889 CB 1.490 10 residues pruned to eliminate duplicates Z: 19 30.935 2.205 0.902 0.840 0.944 0.778 CB 1.374 19 residues pruned to eliminate duplicates Z: 22 37.444 2.221 1.126 0.870 0.762 0.619 CB 1.658 22 residues pruned to eliminate duplicates Z: 15 42.870 2.347 1.249 0.890 0.929 0.643 CA 1.682 Z: 20 39.965 2.205 0.878 0.885 0.895 0.737 CB 1.788 20 residues pruned to eliminate duplicates Z: 31 53.421 2.316 1.323 0.925 0.967 0.533 CB 1.317 31 residues pruned to eliminate duplicates Z: 29 38.759 2.186 0.799 0.800 0.893 0.607 CA 1.605 29 residues pruned to eliminate duplicates Z: 22 49.990 2.312 1.213 0.838 0.952 0.667 CA 1.673 22 residues pruned to eliminate duplicates Z: 35 19.102 2.004 0.674 0.341 0.824 0.382 CB 1.409 35 residues pruned to eliminate duplicates Z: 11 20.726 2.142 0.745 0.863 1.000 0.700 CA 1.287 11 residues pruned to eliminate duplicates Z: 88 85.485 2.393 1.251 0.670 0.931 0.563 CB 1.562 88 residues pruned to eliminate duplicates Z: 99 99.261 2.417 1.198 0.758 0.969 0.776 CB 1.548 99 residues pruned to eliminate duplicates Z: 81 93.264 2.419 1.147 0.753 0.963 0.725 CB 1.665 80 residues pruned to eliminate duplicates Z: 182 137.438 2.423 1.273 0.703 0.967 0.641 CB 1.595 88 residues pruned to eliminate duplicates Z: 49 71.540 2.390 1.344 0.720 0.958 0.729 CB 1.577 49 residues pruned to eliminate duplicates Z: 99 86.547 2.379 1.009 0.711 0.918 0.592 CB 1.644 99 residues pruned to eliminate duplicates Z: 116 96.412 2.371 1.086 0.690 0.965 0.757 CB 1.582 116 residues pruned to eliminate duplicates Z: 16 28.329 2.259 1.071 0.817 0.933 0.533 CB 1.271 Z: 17 50.034 2.353 1.408 0.951 0.938 0.375 CB 1.623 17 residues pruned to eliminate duplicates Z: 47 77.301 2.344 1.367 0.813 0.978 0.696 CB 1.600 17 residues pruned to eliminate duplicates Z: 39 57.652 2.402 1.216 0.620 0.974 0.553 CB 1.611 39 residues pruned to eliminate duplicates Z: 7 3.491 1.594 -0.110 0.439 0.833 0.500 C 1.284 Z: 6 8.540 1.400 0.950 0.735 1.000 0.800 CA 1.133 Z: 127 102.937 2.396 1.159 0.651 0.944 0.579 CB 1.631 127 residues pruned to eliminate duplicates Z: 13 8.387 1.639 0.973 0.544 0.750 0.750 CB 0.957 13 residues pruned to eliminate duplicates Z: 7 13.558 1.955 1.000 0.550 1.000 0.500 CA 1.348 7 residues pruned to eliminate duplicates Z: 184 131.381 2.427 1.218 0.691 0.945 0.530 CB 1.602 142 residues pruned to eliminate duplicates Z: 11 14.412 1.933 0.309 0.898 1.000 0.900 CB 1.288 11 residues pruned to eliminate duplicates Z: 39 32.404 2.088 0.923 0.471 0.947 0.500 CB 1.423 39 residues pruned to eliminate duplicates Z: 16 29.701 2.215 0.646 0.939 1.000 1.000 CB 1.462 Z: 19 40.565 2.340 0.826 0.908 0.944 0.944 CA 1.683 19 residues pruned to eliminate duplicates Z: 14 35.756 2.386 1.370 0.895 0.846 0.615 CB 1.486 14 residues pruned to eliminate duplicates Z: 113 111.674 2.397 1.341 0.731 0.964 0.625 CB 1.584 113 residues pruned to eliminate duplicates 6 1.926 1.271 0.217 0.664 1.000 0.600 N 0.479 ? Z: 22 43.868 2.395 0.845 0.945 1.000 0.905 CB 1.499 22 residues pruned to eliminate duplicates Z: 55 65.210 2.389 0.904 0.769 0.981 0.870 CB 1.566 55 residues pruned to eliminate duplicates Z: 15 8.039 1.880 0.383 0.354 0.786 0.214 CB 1.232 15 residues pruned to eliminate duplicates Z: 6 2.695 1.883 -0.017 0.488 1.000 1.000 CA 0.659 Z: 7 12.170 1.856 0.970 0.579 1.000 0.667 CA 1.260 7 residues pruned to eliminate duplicates Z: 7 5.904 1.993 0.862 0.407 0.667 0.667 CA 1.074 Z: 66 78.333 2.444 1.053 0.756 0.969 0.769 CB 1.592 66 residues pruned to eliminate duplicates Z: 169 127.786 2.404 1.074 0.731 0.976 0.685 CB 1.646 228 residues pruned to eliminate duplicates Z: 48 67.920 2.336 1.160 0.771 0.979 0.723 CB 1.578 48 residues pruned to eliminate duplicates Z: 7 2.826 1.726 -0.095 0.299 0.833 0.167 CA 1.108 Z: 10 5.887 1.555 0.626 0.321 0.778 0.444 CA 1.214 Z: 119 90.431 2.384 1.048 0.688 0.915 0.695 CB 1.568 162 residues pruned to eliminate duplicates Z: 117 120.637 2.397 1.319 0.767 0.983 0.621 CB 1.618 76 residues pruned to eliminate duplicates Z: 22 37.136 2.216 1.318 0.785 0.857 0.524 CB 1.432 22 residues pruned to eliminate duplicates Z: 96 109.966 2.438 1.381 0.747 0.968 0.642 CB 1.610 96 residues pruned to eliminate duplicates Z: 7 14.875 1.957 0.889 0.798 1.000 1.000 CA 1.265 Z: 29 37.458 2.256 1.193 0.648 0.964 0.643 CB 1.293 29 residues pruned to eliminate duplicates Z: 174 116.431 2.418 1.058 0.695 0.919 0.688 CB 1.620 195 residues pruned to eliminate duplicates Z: 13 11.554 1.860 0.495 0.510 0.833 0.583 CB 1.424 13 residues pruned to eliminate duplicates 6 1.827 1.496 0.023 0.431 0.600 0.400 CB 0.956 ? Z: 28 43.440 2.338 1.008 0.782 0.963 0.889 CB 1.443 28 residues pruned to eliminate duplicates Z: 6 3.016 1.432 0.525 0.634 0.800 0.400 O 0.681 Z: 17 28.678 2.165 1.247 0.876 0.938 0.438 CB 1.142 17 residues pruned to eliminate duplicates Z: 32 52.033 2.482 0.822 0.668 0.968 0.774 CB 1.829 32 residues pruned to eliminate duplicates Z: 23 58.556 2.504 1.304 0.951 0.955 0.818 CB 1.562 23 residues pruned to eliminate duplicates 6 1.584 1.469 0.559 0.292 0.600 0.600 N 0.651 ? Z: 100 99.627 2.390 1.082 0.805 0.949 0.687 CB 1.623 100 residues pruned to eliminate duplicates Z: 28 56.084 2.353 1.054 0.857 0.963 0.667 CB 1.708 28 residues pruned to eliminate duplicates Z: 102 97.117 2.377 1.294 0.713 0.931 0.594 CB 1.569 102 residues pruned to eliminate duplicates Z: 25 82.152 2.534 1.547 0.941 0.917 0.708 CB 1.968 25 residues pruned to eliminate duplicates Z: 119 111.269 2.425 1.275 0.700 0.975 0.627 CB 1.588 119 residues pruned to eliminate duplicates Z: 100 101.173 2.446 1.004 0.760 0.980 0.737 CB 1.680 100 residues pruned to eliminate duplicates Z: 11 2.733 1.282 0.202 0.310 0.900 0.400 CB 0.770 Z: 31 37.964 2.249 0.827 0.710 0.867 0.667 CB 1.609 31 residues pruned to eliminate duplicates Z: 64 65.723 2.307 1.083 0.619 0.937 0.571 CB 1.644 110 residues pruned to eliminate duplicates Z: 18 29.775 2.239 1.073 0.822 0.941 0.471 CB 1.251 6 1.302 1.223 0.355 0.491 0.400 0.400 C 0.887 ? Z: 18 35.419 2.189 1.145 0.877 1.000 0.824 CB 1.329 18 residues pruned to eliminate duplicates Z: 15 17.177 1.960 0.847 0.438 0.929 0.500 CB 1.456 15 residues pruned to eliminate duplicates Z: 11 12.190 1.805 0.848 0.518 0.800 0.500 CB 1.419 11 residues pruned to eliminate duplicates Z: 11 35.455 2.299 1.240 0.862 1.000 0.900 CA 1.599 11 residues pruned to eliminate duplicates Z: 23 21.015 2.124 0.706 0.435 0.955 0.545 CB 1.385 23 residues pruned to eliminate duplicates Z: 6 4.207 1.581 0.740 0.279 1.000 0.600 CB 0.878 Z: 20 43.904 2.437 0.966 0.761 0.895 0.789 CA 1.863 20 residues pruned to eliminate duplicates Z: 13 9.998 1.990 0.576 0.383 0.833 0.500 CB 1.250 Z: 8 17.230 1.989 0.900 0.645 1.000 0.143 O 1.505 8 residues pruned to eliminate duplicates Z: 6 5.877 1.486 0.419 0.814 1.000 0.800 CB 0.948 6 residues pruned to eliminate duplicates Z: 24 47.054 2.308 0.934 0.905 0.957 0.870 CA 1.636 Z: 24 51.787 2.377 1.105 0.736 0.957 0.696 CB 1.825 24 residues pruned to eliminate duplicates Z: 13 35.195 2.110 1.345 0.739 1.000 0.750 CA 1.656 Z: 129 116.779 2.424 1.317 0.731 0.953 0.633 CB 1.566 129 residues pruned to eliminate duplicates Z: 131 121.224 2.399 1.307 0.737 0.977 0.600 CB 1.589 131 residues pruned to eliminate duplicates Z: 181 133.000 2.403 1.196 0.685 0.972 0.639 CB 1.630 105 residues pruned to eliminate duplicates Z: 10 10.559 1.667 0.823 0.676 0.889 0.667 CA 1.108 10 residues pruned to eliminate duplicates Z: 10 19.849 2.162 0.968 0.641 0.889 0.778 CB 1.532 10 residues pruned to eliminate duplicates Z: 35 56.286 2.317 1.179 0.738 0.971 0.735 CB 1.591 14 residues pruned to eliminate duplicates 432 residues left after pruning, divided into chains as follows: A: 181 B: 18 C: 12 D: 177 E: 44 CC for partial structure against native data = 42.65 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.796, Connect. = 0.762 for dens.mod. cycle 1 = 0.300, Contrast = 0.935, Connect. = 0.797 for dens.mod. cycle 2 = 0.300, Contrast = 1.144, Connect. = 0.823 for dens.mod. cycle 3 = 0.300, Contrast = 1.196, Connect. = 0.826 for dens.mod. cycle 4 = 0.300, Contrast = 1.236, Connect. = 0.828 for dens.mod. cycle 5 = 0.300, Contrast = 1.256, Connect. = 0.830 for dens.mod. cycle 6 = 0.300, Contrast = 1.272, Connect. = 0.832 for dens.mod. cycle 7 = 0.300, Contrast = 1.280, Connect. = 0.833 for dens.mod. cycle 8 = 0.300, Contrast = 1.286, Connect. = 0.833 for dens.mod. cycle 9 = 0.300, Contrast = 1.288, Connect. = 0.834 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3069 peaks > 0.5 sigma used to seed fragment search Space for about 1039 unique residues taking solvent into account 607 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 9 30.742 2.608 0.602 0.893 1.000 1.000 CB 1.868 B: 10 28.302 2.412 1.264 0.896 0.889 0.667 CB 1.392 C: 11 36.051 2.488 0.861 0.833 1.000 0.900 CA 1.848 D: 22 54.836 2.531 1.175 0.846 0.905 0.667 CB 1.785 E: 21 63.723 2.570 1.250 0.890 0.950 0.650 CB 1.865 22 residues pruned to eliminate duplicates F: 22 48.892 2.427 1.076 0.802 0.952 0.381 CA 1.708 21 residues pruned to eliminate duplicates G: 22 64.198 2.593 1.468 0.942 0.952 0.524 CB 1.594 H: 22 57.671 2.512 1.115 0.875 0.952 0.571 CB 1.809 I: 25 64.606 2.501 1.042 0.917 1.000 0.833 CB 1.822 J: 11 35.655 2.332 0.952 0.894 1.000 1.000 CB 1.777 9 residues pruned to eliminate duplicates K: 23 48.128 2.402 1.121 0.836 0.909 0.636 CA 1.659 23 residues pruned to eliminate duplicates L: 25 65.177 2.538 1.054 0.893 0.958 0.667 CB 1.913 M: 25 73.885 2.562 1.128 0.927 1.000 0.875 CB 1.939 25 residues pruned to eliminate duplicates N: 22 57.594 2.533 0.994 0.882 1.000 0.857 CA 1.802 22 residues pruned to eliminate duplicates O: 19 45.627 2.611 0.854 0.955 1.000 0.944 CB 1.526 P: 12 34.507 2.343 1.150 0.913 1.000 0.818 CB 1.462 12 residues pruned to eliminate duplicates Q: 31 68.120 2.537 0.961 0.947 1.000 0.867 CB 1.727 22 residues pruned to eliminate duplicates R: 26 69.889 2.463 1.356 0.917 0.920 0.800 CB 1.848 S: 30 87.688 2.608 1.656 0.952 0.931 0.517 CB 1.739 31 residues pruned to eliminate duplicates T: 25 63.475 2.572 0.902 0.875 1.000 0.792 CB 1.926 25 residues pruned to eliminate duplicates U: 11 35.966 2.466 0.979 0.794 1.000 0.800 CA 1.801 11 residues pruned to eliminate duplicates V: 31 69.203 2.508 1.283 0.931 1.000 0.700 CB 1.541 19 residues pruned to eliminate duplicates W: 26 69.162 2.516 1.091 0.894 1.000 0.840 CA 1.886 26 residues pruned to eliminate duplicates X: 17 57.703 2.457 1.356 0.912 1.000 0.875 CB 1.765 Y: 32 59.230 2.457 0.955 0.933 0.935 0.806 CB 1.652 32 residues pruned to eliminate duplicates Z: 25 72.198 2.556 1.232 0.916 0.958 0.625 CB 1.904 25 residues pruned to eliminate duplicates Z: 22 53.400 2.520 0.996 0.888 0.952 0.857 CA 1.752 22 residues pruned to eliminate duplicates Z: 17 67.658 2.552 1.597 0.885 1.000 0.750 CB 1.842 Z: 19 50.790 2.411 0.980 0.938 1.000 0.944 CB 1.744 19 residues pruned to eliminate duplicates Z: 25 64.785 2.532 1.145 0.915 0.958 0.542 CB 1.796 25 residues pruned to eliminate duplicates Z: 19 62.360 2.443 1.385 0.908 1.000 0.667 CB 1.791 19 residues pruned to eliminate duplicates Z: 27 71.647 2.427 1.408 0.895 0.923 0.692 CB 1.868 27 residues pruned to eliminate duplicates Z: 22 56.386 2.531 1.024 0.888 1.000 0.857 CA 1.731 22 residues pruned to eliminate duplicates Z: 18 62.682 2.608 1.242 0.936 1.000 0.882 CB 1.810 18 residues pruned to eliminate duplicates Z: 27 64.050 2.393 1.183 0.913 0.923 0.538 CB 1.843 27 residues pruned to eliminate duplicates Z: 25 59.423 2.591 1.120 0.936 0.917 0.708 CB 1.678 25 residues pruned to eliminate duplicates Z: 23 34.144 2.420 0.831 0.493 0.955 0.591 CB 1.732 19 residues pruned to eliminate duplicates Z: 19 63.609 2.420 1.487 0.912 1.000 0.889 CB 1.763 17 residues pruned to eliminate duplicates Z: 25 80.013 2.532 1.354 0.949 0.958 0.583 CB 1.973 26 residues pruned to eliminate duplicates Z: 13 50.582 2.506 1.232 0.926 1.000 1.000 CA 1.830 Z: 28 60.373 2.383 1.244 0.922 0.926 0.444 CB 1.649 Z: 26 56.924 2.564 0.811 0.845 1.000 0.680 CB 1.823 Z: 18 57.104 2.368 1.345 0.923 1.000 0.941 CB 1.753 18 residues pruned to eliminate duplicates Z: 25 77.234 2.549 1.455 0.943 0.958 0.583 CB 1.821 25 residues pruned to eliminate duplicates Z: 22 50.494 2.453 1.027 0.862 0.905 0.810 CA 1.798 22 residues pruned to eliminate duplicates Z: 22 62.743 2.537 1.133 0.864 1.000 0.762 CB 1.854 22 residues pruned to eliminate duplicates Z: 30 74.585 2.554 1.425 0.944 0.966 0.862 CB 1.603 30 residues pruned to eliminate duplicates Z: 18 44.110 2.509 0.704 0.936 1.000 0.941 CB 1.742 18 residues pruned to eliminate duplicates Z: 21 67.635 2.593 1.260 0.875 1.000 0.850 CA 1.878 22 residues pruned to eliminate duplicates Z: 25 73.368 2.489 1.345 0.930 0.958 0.667 CB 1.872 25 residues pruned to eliminate duplicates Z: 11 40.879 2.489 0.989 0.908 1.000 1.000 CB 1.854 10 residues pruned to eliminate duplicates Z: 26 68.143 2.469 1.186 0.924 0.960 0.680 CB 1.847 26 residues pruned to eliminate duplicates Z: 11 27.465 2.347 0.596 0.883 1.000 1.000 CB 1.677 11 residues pruned to eliminate duplicates Z: 27 56.317 2.411 1.069 0.909 0.962 0.654 CB 1.634 13 residues pruned to eliminate duplicates Z: 17 53.420 2.559 1.250 0.922 0.938 0.875 CB 1.739 17 residues pruned to eliminate duplicates Z: 25 67.798 2.477 1.362 0.932 0.917 0.792 CB 1.802 25 residues pruned to eliminate duplicates Z: 23 76.815 2.654 1.341 0.952 0.955 0.545 CB 1.902 23 residues pruned to eliminate duplicates Z: 32 58.419 2.470 0.775 0.945 0.968 0.903 CB 1.712 32 residues pruned to eliminate duplicates Z: 17 70.777 2.672 1.486 0.952 1.000 0.938 CB 1.835 17 residues pruned to eliminate duplicates Z: 31 56.085 2.497 0.740 0.930 0.967 0.900 CB 1.705 31 residues pruned to eliminate duplicates Z: 19 52.950 2.467 1.099 0.931 1.000 0.889 CB 1.684 18 residues pruned to eliminate duplicates Z: 31 52.190 2.503 0.571 0.926 0.967 0.967 CA 1.758 31 residues pruned to eliminate duplicates Z: 27 61.683 2.448 1.217 0.925 0.923 0.692 CB 1.695 27 residues pruned to eliminate duplicates Z: 31 63.587 2.495 1.113 0.909 0.967 0.767 CB 1.617 31 residues pruned to eliminate duplicates Z: 22 42.786 2.391 0.801 0.865 1.000 0.857 CA 1.589 22 residues pruned to eliminate duplicates Z: 31 70.214 2.502 1.055 0.930 1.000 0.867 CB 1.744 30 residues pruned to eliminate duplicates Z: 17 60.227 2.515 1.400 0.902 1.000 0.750 CB 1.780 17 residues pruned to eliminate duplicates Z: 184 148.686 2.550 1.150 0.684 0.962 0.541 CB 1.762 146 residues pruned to eliminate duplicates Z: 25 82.652 2.480 1.576 0.953 1.000 0.875 CB 1.818 24 residues pruned to eliminate duplicates Z: 25 62.925 2.560 1.266 0.942 1.000 0.708 CB 1.536 25 residues pruned to eliminate duplicates Z: 28 60.778 2.433 1.000 0.877 0.926 0.778 CB 1.886 28 residues pruned to eliminate duplicates Z: 31 70.065 2.517 1.399 0.920 0.900 0.400 CB 1.658 31 residues pruned to eliminate duplicates Z: 24 70.384 2.535 1.135 0.944 0.957 0.913 CA 1.964 24 residues pruned to eliminate duplicates Z: 77 84.359 2.539 1.024 0.635 0.947 0.737 CB 1.751 49 residues pruned to eliminate duplicates Z: 22 61.958 2.546 1.272 0.850 0.952 0.571 CA 1.817 22 residues pruned to eliminate duplicates Z: 30 69.979 2.595 1.082 0.951 0.966 0.931 CB 1.716 30 residues pruned to eliminate duplicates Z: 32 52.653 2.426 0.660 0.947 0.968 0.903 CB 1.677 32 residues pruned to eliminate duplicates Z: 11 31.656 2.440 0.850 0.799 1.000 0.800 CA 1.708 Z: 30 71.425 2.571 1.196 0.938 1.000 0.897 CB 1.634 31 residues pruned to eliminate duplicates Z: 24 81.718 2.545 1.467 0.951 1.000 0.435 CB 1.871 24 residues pruned to eliminate duplicates Z: 18 33.299 2.306 0.751 0.875 1.000 0.882 CB 1.454 Z: 29 58.762 2.545 0.726 0.956 1.000 0.964 CB 1.736 29 residues pruned to eliminate duplicates Z: 32 59.562 2.407 0.909 0.903 1.000 0.935 CB 1.659 19 residues pruned to eliminate duplicates Z: 26 65.718 2.459 1.433 0.890 0.920 0.400 CB 1.719 26 residues pruned to eliminate duplicates Z: 28 65.662 2.507 1.396 0.937 0.926 0.593 CB 1.582 28 residues pruned to eliminate duplicates Z: 31 72.909 2.525 1.316 0.927 1.000 0.600 CB 1.595 31 residues pruned to eliminate duplicates Z: 17 55.897 2.555 1.197 0.926 1.000 0.938 CB 1.745 17 residues pruned to eliminate duplicates Z: 25 79.087 2.518 1.647 0.908 0.958 0.542 CB 1.795 25 residues pruned to eliminate duplicates Z: 13 35.216 2.416 0.936 0.879 0.917 0.667 CB 1.720 13 residues pruned to eliminate duplicates Z: 16 52.025 2.463 1.403 0.885 1.000 0.333 CB 1.639 16 residues pruned to eliminate duplicates Z: 21 60.476 2.557 1.239 0.879 0.950 0.700 CB 1.804 21 residues pruned to eliminate duplicates Z: 30 75.416 2.593 1.344 0.963 0.966 0.759 CB 1.631 30 residues pruned to eliminate duplicates Z: 10 34.247 2.660 0.667 0.893 1.000 1.000 CB 1.848 10 residues pruned to eliminate duplicates Z: 22 55.978 2.541 0.972 0.863 1.000 0.667 CA 1.789 22 residues pruned to eliminate duplicates Z: 18 61.255 2.466 1.572 0.893 0.941 0.706 CB 1.786 18 residues pruned to eliminate duplicates Z: 28 51.617 2.429 1.026 0.818 0.852 0.593 CB 1.798 28 residues pruned to eliminate duplicates Z: 17 48.313 2.422 1.059 0.901 1.000 0.812 CB 1.730 17 residues pruned to eliminate duplicates Z: 16 50.018 2.593 1.033 0.841 0.933 0.667 CB 1.958 16 residues pruned to eliminate duplicates Z: 22 61.784 2.451 1.247 0.876 1.000 0.714 CA 1.780 22 residues pruned to eliminate duplicates Z: 28 65.074 2.487 1.103 0.840 0.963 0.704 CA 1.855 28 residues pruned to eliminate duplicates Z: 22 61.602 2.551 1.170 0.853 1.000 0.667 CA 1.795 22 residues pruned to eliminate duplicates Z: 28 50.526 2.376 0.968 0.919 0.852 0.519 CB 1.719 28 residues pruned to eliminate duplicates Z: 25 69.120 2.491 1.373 0.912 0.917 0.708 CB 1.845 25 residues pruned to eliminate duplicates Z: 29 60.138 2.386 1.013 0.865 0.964 0.857 CA 1.798 27 residues pruned to eliminate duplicates Z: 30 49.528 2.464 0.643 0.940 0.966 0.931 CB 1.634 30 residues pruned to eliminate duplicates Z: 28 66.784 2.468 1.156 0.832 0.963 0.741 CA 1.883 28 residues pruned to eliminate duplicates Z: 27 53.088 2.409 1.119 0.826 0.885 0.692 CB 1.739 27 residues pruned to eliminate duplicates Z: 17 31.125 2.334 0.881 0.833 0.938 0.812 CB 1.419 17 residues pruned to eliminate duplicates Z: 33 66.818 2.452 1.463 0.874 0.906 0.438 CB 1.571 33 residues pruned to eliminate duplicates Z: 20 51.562 2.288 1.360 0.907 0.947 0.789 CB 1.643 20 residues pruned to eliminate duplicates Z: 29 60.254 2.284 1.213 0.925 1.000 0.500 CB 1.581 29 residues pruned to eliminate duplicates Z: 27 57.581 2.553 1.139 0.926 0.885 0.654 CB 1.639 27 residues pruned to eliminate duplicates Z: 22 55.350 2.501 0.922 0.872 1.000 0.714 CA 1.832 22 residues pruned to eliminate duplicates Z: 17 31.444 2.366 0.824 0.831 0.938 0.750 CB 1.460 17 residues pruned to eliminate duplicates Z: 25 77.583 2.573 1.314 0.948 0.958 0.500 CB 1.917 25 residues pruned to eliminate duplicates Z: 32 68.843 2.470 1.169 0.907 0.968 0.774 CB 1.695 32 residues pruned to eliminate duplicates Z: 11 33.927 2.369 0.882 0.831 1.000 0.900 CB 1.807 11 residues pruned to eliminate duplicates Z: 24 79.997 2.481 1.629 0.949 0.957 0.304 CB 1.844 25 residues pruned to eliminate duplicates Z: 32 63.706 2.434 1.088 0.905 1.000 0.548 CB 1.602 32 residues pruned to eliminate duplicates Z: 27 62.802 2.535 1.359 0.922 0.923 0.346 CB 1.569 27 residues pruned to eliminate duplicates Z: 15 43.827 2.531 0.911 0.938 0.929 0.857 CB 1.813 15 residues pruned to eliminate duplicates Z: 31 73.315 2.507 1.506 0.948 0.967 0.433 CB 1.522 31 residues pruned to eliminate duplicates Z: 11 25.932 2.450 0.781 0.855 0.800 0.700 CA 1.734 11 residues pruned to eliminate duplicates Z: 14 48.395 2.444 1.389 0.898 1.000 0.615 CB 1.644 14 residues pruned to eliminate duplicates Z: 22 60.320 2.536 1.062 0.885 1.000 0.810 CA 1.817 22 residues pruned to eliminate duplicates Z: 26 66.115 2.500 0.928 0.932 1.000 0.960 CA 1.916 26 residues pruned to eliminate duplicates Z: 11 34.179 2.468 0.920 0.820 1.000 0.700 CA 1.728 11 residues pruned to eliminate duplicates Z: 26 75.793 2.478 1.258 0.929 1.000 0.640 CB 1.897 26 residues pruned to eliminate duplicates Z: 27 75.192 2.553 1.209 0.951 1.000 0.731 CB 1.802 27 residues pruned to eliminate duplicates Z: 11 32.738 2.299 0.939 0.824 1.000 0.900 CA 1.754 11 residues pruned to eliminate duplicates Z: 10 36.241 2.611 1.150 0.909 1.000 1.000 CB 1.527 10 residues pruned to eliminate duplicates Z: 70 77.950 2.528 1.048 0.608 0.928 0.594 CB 1.764 70 residues pruned to eliminate duplicates Z: 26 64.489 2.482 1.010 0.902 1.000 0.840 CB 1.845 26 residues pruned to eliminate duplicates Z: 27 50.826 2.343 1.111 0.845 0.885 0.692 CB 1.695 26 residues pruned to eliminate duplicates Z: 29 48.347 2.273 1.121 0.854 0.821 0.357 CB 1.704 29 residues pruned to eliminate duplicates Z: 28 48.974 2.412 0.961 0.819 0.926 0.407 CB 1.632 28 residues pruned to eliminate duplicates Z: 22 67.714 2.524 1.318 0.855 1.000 0.762 CA 1.863 22 residues pruned to eliminate duplicates Z: 32 51.632 2.441 0.714 0.908 0.968 0.806 CB 1.626 32 residues pruned to eliminate duplicates Z: 18 55.216 2.445 1.259 0.923 1.000 0.941 CB 1.704 18 residues pruned to eliminate duplicates Z: 179 136.402 2.500 1.095 0.674 0.966 0.646 CB 1.720 135 residues pruned to eliminate duplicates Z: 18 49.655 2.410 1.127 0.924 0.941 0.941 CB 1.754 18 residues pruned to eliminate duplicates Z: 16 49.660 2.591 1.107 0.914 0.867 0.667 CB 1.918 16 residues pruned to eliminate duplicates Z: 24 77.940 2.614 1.344 0.937 0.957 0.783 CB 1.930 24 residues pruned to eliminate duplicates Z: 31 74.010 2.523 1.356 0.946 0.967 0.600 CB 1.626 31 residues pruned to eliminate duplicates Z: 22 64.531 2.507 1.298 0.849 1.000 0.762 CA 1.812 22 residues pruned to eliminate duplicates Z: 26 59.288 2.429 1.221 0.874 0.920 0.360 CB 1.739 26 residues pruned to eliminate duplicates Z: 15 41.585 2.416 1.246 0.884 0.929 0.429 CB 1.593 15 residues pruned to eliminate duplicates Z: 28 51.573 2.422 1.025 0.769 0.926 0.593 CB 1.722 28 residues pruned to eliminate duplicates Z: 22 48.178 2.405 0.992 0.892 0.905 0.714 CB 1.742 22 residues pruned to eliminate duplicates Z: 19 35.782 2.248 1.012 0.841 0.944 0.389 CB 1.472 18 residues pruned to eliminate duplicates Z: 31 74.927 2.477 1.381 0.930 1.000 0.433 CB 1.621 31 residues pruned to eliminate duplicates Z: 27 71.444 2.564 1.390 0.948 0.923 0.769 CB 1.711 27 residues pruned to eliminate duplicates Z: 21 56.483 2.550 1.030 0.869 1.000 0.900 CB 1.782 21 residues pruned to eliminate duplicates Z: 32 65.800 2.442 1.157 0.905 1.000 0.839 CB 1.597 32 residues pruned to eliminate duplicates Z: 26 68.534 2.442 1.106 0.930 1.000 0.840 CB 1.863 26 residues pruned to eliminate duplicates Z: 19 41.920 2.358 0.794 0.908 0.944 0.833 CB 1.757 19 residues pruned to eliminate duplicates Z: 11 51.488 2.398 1.580 0.910 1.000 0.700 CB 1.867 11 residues pruned to eliminate duplicates Z: 15 33.966 2.294 0.784 0.879 0.929 0.786 CA 1.732 15 residues pruned to eliminate duplicates Z: 32 51.344 2.415 0.670 0.913 0.968 0.903 CB 1.672 32 residues pruned to eliminate duplicates Z: 28 58.635 2.345 1.303 0.909 0.889 0.370 CB 1.668 28 residues pruned to eliminate duplicates Z: 19 53.210 2.420 1.138 0.913 1.000 0.778 CB 1.715 19 residues pruned to eliminate duplicates Z: 32 73.634 2.497 1.337 0.885 0.968 0.581 CB 1.691 32 residues pruned to eliminate duplicates Z: 21 52.365 2.526 1.124 0.840 0.900 0.700 CA 1.810 21 residues pruned to eliminate duplicates Z: 27 72.275 2.540 1.358 0.928 0.962 0.654 CB 1.723 27 residues pruned to eliminate duplicates Z: 21 56.523 2.539 0.992 0.890 1.000 0.700 CA 1.798 21 residues pruned to eliminate duplicates Z: 183 148.385 2.488 1.223 0.692 0.967 0.560 CB 1.725 87 residues pruned to eliminate duplicates Z: 25 65.620 2.514 1.006 0.900 1.000 0.917 CA 1.898 25 residues pruned to eliminate duplicates Z: 28 63.003 2.405 1.046 0.923 0.963 0.778 CB 1.797 28 residues pruned to eliminate duplicates Z: 20 62.653 2.633 1.513 0.946 1.000 0.737 CB 1.502 20 residues pruned to eliminate duplicates Z: 24 51.173 2.367 0.962 0.797 1.000 0.609 CB 1.770 24 residues pruned to eliminate duplicates Z: 19 36.636 2.365 0.979 0.850 0.944 0.500 CB 1.447 Z: 164 137.579 2.507 1.219 0.712 0.951 0.571 CB 1.681 130 residues pruned to eliminate duplicates Z: 30 77.805 2.555 1.498 0.951 1.000 0.586 CB 1.560 30 residues pruned to eliminate duplicates Z: 27 56.889 2.449 0.918 0.879 0.962 0.692 CB 1.791 27 residues pruned to eliminate duplicates Z: 30 80.047 2.562 1.669 0.958 0.897 0.517 CB 1.663 30 residues pruned to eliminate duplicates Z: 27 65.140 2.507 0.979 0.941 1.000 0.808 CB 1.787 27 residues pruned to eliminate duplicates Z: 26 54.998 2.424 0.977 0.868 1.000 0.600 CB 1.678 16 residues pruned to eliminate duplicates Z: 28 63.820 2.352 1.239 0.921 0.963 0.556 CB 1.704 28 residues pruned to eliminate duplicates Z: 26 66.025 2.454 1.207 0.912 0.920 0.680 CB 1.878 26 residues pruned to eliminate duplicates Z: 20 39.314 2.265 0.995 0.814 1.000 0.526 CB 1.519 19 residues pruned to eliminate duplicates Z: 32 59.692 2.442 0.876 0.936 1.000 0.903 CB 1.630 32 residues pruned to eliminate duplicates Z: 22 61.067 2.509 1.109 0.881 1.000 0.762 CA 1.825 22 residues pruned to eliminate duplicates Z: 32 60.599 2.424 1.150 0.922 0.968 0.581 CB 1.517 32 residues pruned to eliminate duplicates Z: 7 9.018 1.984 0.131 0.761 1.000 0.833 CA 1.302 7 residues pruned to eliminate duplicates Z: 20 37.423 2.260 1.122 0.769 0.947 0.526 CB 1.489 20 residues pruned to eliminate duplicates Z: 28 56.523 2.375 1.111 0.926 0.926 0.593 CB 1.643 28 residues pruned to eliminate duplicates Z: 31 68.951 2.499 1.327 0.944 1.000 0.667 CB 1.499 31 residues pruned to eliminate duplicates Z: 28 60.978 2.418 0.963 0.926 0.963 0.704 CB 1.800 28 residues pruned to eliminate duplicates Z: 7 13.754 1.950 0.649 0.772 1.000 0.833 CA 1.372 Z: 19 58.464 2.420 1.326 0.909 1.000 0.833 CB 1.737 19 residues pruned to eliminate duplicates Z: 32 71.111 2.454 1.450 0.949 0.935 0.645 CB 1.567 32 residues pruned to eliminate duplicates Z: 14 29.519 2.286 0.722 0.838 0.846 0.615 CA 1.837 14 residues pruned to eliminate duplicates Z: 25 56.298 2.478 0.758 0.952 1.000 0.958 CA 1.816 24 residues pruned to eliminate duplicates Z: 31 83.341 2.483 1.590 0.941 1.000 0.300 CB 1.642 31 residues pruned to eliminate duplicates Z: 16 49.442 2.398 0.997 0.943 1.000 0.733 CA 1.847 16 residues pruned to eliminate duplicates Z: 7 6.204 2.053 0.193 0.572 0.667 0.667 CA 1.447 7 residues pruned to eliminate duplicates Z: 28 60.376 2.442 0.982 0.855 1.000 0.593 CB 1.772 28 residues pruned to eliminate duplicates Z: 21 28.275 2.189 0.853 0.730 0.900 0.600 CB 1.408 21 residues pruned to eliminate duplicates Z: 27 68.546 2.553 1.323 0.935 0.923 0.692 CB 1.711 27 residues pruned to eliminate duplicates Z: 171 141.078 2.522 1.161 0.730 0.941 0.600 CB 1.715 179 residues pruned to eliminate duplicates Z: 28 56.965 2.486 1.038 0.832 0.852 0.593 CA 1.907 28 residues pruned to eliminate duplicates Z: 28 65.909 2.408 1.165 0.930 0.963 0.667 CB 1.767 28 residues pruned to eliminate duplicates Z: 6 6.532 1.990 0.017 0.856 1.000 0.800 CB 1.064 Z: 25 85.356 2.549 1.472 0.938 1.000 0.500 CB 1.923 26 residues pruned to eliminate duplicates Z: 27 54.133 2.486 0.943 0.852 0.962 0.615 CB 1.691 31 residues pruned to eliminate duplicates Z: 11 38.143 2.549 0.785 0.929 1.000 0.900 CB 1.855 11 residues pruned to eliminate duplicates Z: 30 54.553 2.222 1.257 0.880 0.931 0.552 CB 1.573 30 residues pruned to eliminate duplicates Z: 20 32.502 2.347 0.673 0.784 0.947 0.737 CB 1.561 20 residues pruned to eliminate duplicates Z: 16 35.744 2.297 0.567 0.870 1.000 0.533 CA 1.871 16 residues pruned to eliminate duplicates Z: 22 51.942 2.466 1.056 0.863 0.952 0.810 CA 1.722 22 residues pruned to eliminate duplicates Z: 22 53.356 2.516 0.917 0.889 0.952 0.857 CA 1.825 22 residues pruned to eliminate duplicates Z: 25 69.326 2.495 1.199 0.940 0.958 0.833 CA 1.870 25 residues pruned to eliminate duplicates Z: 21 31.431 2.125 0.986 0.819 0.900 0.600 CB 1.403 21 residues pruned to eliminate duplicates Z: 9 21.573 2.273 0.594 0.812 0.875 0.625 CA 1.834 9 residues pruned to eliminate duplicates Z: 29 57.335 2.275 0.978 0.921 0.964 0.821 CB 1.756 29 residues pruned to eliminate duplicates Z: 27 58.983 2.414 0.922 0.905 0.962 0.769 CA 1.846 27 residues pruned to eliminate duplicates Z: 19 58.131 2.454 1.323 0.924 1.000 0.611 CB 1.688 19 residues pruned to eliminate duplicates Z: 25 87.525 2.565 1.400 0.950 1.000 0.667 CA 2.001 25 residues pruned to eliminate duplicates Z: 11 35.716 2.504 0.925 0.791 1.000 0.800 CA 1.815 11 residues pruned to eliminate duplicates Z: 79 87.506 2.547 0.981 0.660 0.962 0.692 CB 1.761 79 residues pruned to eliminate duplicates Z: 28 63.482 2.470 1.111 0.824 0.963 0.741 CB 1.838 28 residues pruned to eliminate duplicates Z: 30 69.364 2.555 1.382 0.914 0.931 0.345 CB 1.607 30 residues pruned to eliminate duplicates Z: 25 60.767 2.478 1.036 0.934 0.917 0.875 CA 1.870 25 residues pruned to eliminate duplicates Z: 28 53.862 2.420 0.769 0.885 0.963 0.667 CB 1.816 28 residues pruned to eliminate duplicates Z: 7 11.467 2.046 0.600 0.611 0.833 0.667 CA 1.545 7 residues pruned to eliminate duplicates Z: 27 47.597 2.360 0.841 0.848 0.885 0.654 CB 1.802 27 residues pruned to eliminate duplicates Z: 28 52.564 2.368 1.243 0.925 0.852 0.630 CB 1.569 28 residues pruned to eliminate duplicates Z: 18 62.367 2.469 1.526 0.885 1.000 0.588 CB 1.751 18 residues pruned to eliminate duplicates Z: 20 40.563 2.262 1.090 0.803 1.000 0.632 CB 1.511 20 residues pruned to eliminate duplicates Z: 27 66.611 2.531 1.080 0.886 0.923 0.692 CA 1.940 27 residues pruned to eliminate duplicates Z: 25 74.686 2.529 1.368 0.945 1.000 0.750 CB 1.763 25 residues pruned to eliminate duplicates Z: 18 34.389 2.348 1.103 0.859 0.882 0.471 CB 1.409 18 residues pruned to eliminate duplicates Z: 26 79.995 2.475 1.556 0.915 0.960 0.600 CB 1.861 26 residues pruned to eliminate duplicates Z: 15 45.180 2.553 0.816 0.944 1.000 0.857 CB 1.804 15 residues pruned to eliminate duplicates Z: 45 60.512 2.489 0.860 0.683 0.955 0.682 CB 1.745 45 residues pruned to eliminate duplicates Z: 21 59.097 2.558 0.988 0.887 1.000 0.750 CB 1.873 21 residues pruned to eliminate duplicates Z: 18 31.088 2.308 0.547 0.885 1.000 0.941 CB 1.524 18 residues pruned to eliminate duplicates Z: 13 32.269 2.410 0.899 0.846 0.833 0.667 CB 1.814 13 residues pruned to eliminate duplicates Z: 12 35.171 2.332 1.182 0.915 0.909 0.545 CB 1.620 12 residues pruned to eliminate duplicates Z: 22 48.990 2.441 0.966 0.837 0.952 0.619 CA 1.750 22 residues pruned to eliminate duplicates Z: 25 78.566 2.477 1.442 0.956 0.958 0.542 CB 1.900 25 residues pruned to eliminate duplicates Z: 27 54.655 2.384 1.008 0.800 0.923 0.654 CB 1.866 27 residues pruned to eliminate duplicates Z: 24 78.662 2.545 1.458 0.942 0.957 0.696 CB 1.902 24 residues pruned to eliminate duplicates Z: 11 41.408 2.494 1.257 0.877 1.000 0.600 CB 1.690 11 residues pruned to eliminate duplicates Z: 19 28.835 2.367 0.669 0.818 0.889 0.778 CB 1.468 19 residues pruned to eliminate duplicates Z: 11 19.464 2.348 0.479 0.715 0.800 0.600 CB 1.822 11 residues pruned to eliminate duplicates Z: 26 82.578 2.412 1.635 0.935 1.000 0.600 CA 1.811 26 residues pruned to eliminate duplicates Z: 27 64.021 2.500 1.336 0.919 0.923 0.615 CB 1.641 27 residues pruned to eliminate duplicates Z: 28 65.649 2.460 1.158 0.922 1.000 0.741 CB 1.674 28 residues pruned to eliminate duplicates Z: 10 42.669 2.685 1.114 0.862 1.000 0.778 CB 1.840 10 residues pruned to eliminate duplicates Z: 11 22.695 2.260 0.647 0.870 0.900 0.700 CB 1.564 11 residues pruned to eliminate duplicates Z: 22 60.259 2.610 1.213 0.952 1.000 0.476 CB 1.568 22 residues pruned to eliminate duplicates Z: 14 29.849 2.282 0.941 0.906 0.923 0.615 CB 1.439 14 residues pruned to eliminate duplicates Z: 11 20.978 2.299 0.593 0.819 0.800 0.600 CB 1.717 11 residues pruned to eliminate duplicates Z: 11 32.638 2.315 0.866 0.807 1.000 0.700 CA 1.828 11 residues pruned to eliminate duplicates Z: 28 51.634 2.367 0.828 0.924 0.926 0.815 CA 1.742 28 residues pruned to eliminate duplicates Z: 7 6.751 1.517 0.309 0.870 1.000 0.833 CB 1.013 7 residues pruned to eliminate duplicates Z: 28 55.258 2.363 0.845 0.919 0.963 0.778 CB 1.785 28 residues pruned to eliminate duplicates Z: 19 55.674 2.346 1.320 0.928 1.000 0.389 CB 1.688 19 residues pruned to eliminate duplicates Z: 128 127.283 2.506 1.208 0.778 0.945 0.512 CB 1.690 128 residues pruned to eliminate duplicates Z: 89 92.615 2.528 1.021 0.680 0.943 0.716 CB 1.736 89 residues pruned to eliminate duplicates Z: 181 130.358 2.494 0.977 0.685 0.956 0.700 CB 1.741 66 residues pruned to eliminate duplicates Z: 29 54.864 2.387 0.973 0.869 0.964 0.714 CB 1.667 29 residues pruned to eliminate duplicates Z: 21 62.585 2.575 1.117 0.894 1.000 0.750 CA 1.842 21 residues pruned to eliminate duplicates Z: 27 32.724 2.248 0.753 0.800 0.769 0.538 CB 1.629 27 residues pruned to eliminate duplicates Z: 27 71.675 2.450 1.147 0.932 1.000 0.577 CB 1.866 27 residues pruned to eliminate duplicates Z: 144 145.195 2.581 1.257 0.715 0.979 0.657 CB 1.753 87 residues pruned to eliminate duplicates Z: 182 142.178 2.491 1.138 0.705 0.972 0.569 CB 1.694 182 residues pruned to eliminate duplicates Z: 22 61.117 2.502 1.113 0.884 1.000 0.810 CA 1.823 22 residues pruned to eliminate duplicates Z: 27 48.589 2.339 0.812 0.877 0.923 0.808 CB 1.769 27 residues pruned to eliminate duplicates Z: 27 58.354 2.514 0.992 0.832 0.962 0.692 CB 1.785 27 residues pruned to eliminate duplicates Z: 6 6.074 2.155 0.333 0.617 0.600 0.600 CA 1.412 6 residues pruned to eliminate duplicates Z: 29 50.880 2.393 0.898 0.822 0.893 0.571 CB 1.792 29 residues pruned to eliminate duplicates Z: 13 33.065 2.319 0.801 0.915 1.000 0.750 CA 1.615 13 residues pruned to eliminate duplicates Z: 19 50.690 2.373 1.541 0.887 0.944 0.389 CB 1.513 19 residues pruned to eliminate duplicates Z: 28 42.754 2.410 0.737 0.838 0.889 0.593 CB 1.652 28 residues pruned to eliminate duplicates Z: 26 44.750 2.385 0.664 0.933 0.960 0.920 CB 1.639 26 residues pruned to eliminate duplicates Z: 182 146.379 2.504 1.118 0.707 0.978 0.619 CB 1.738 156 residues pruned to eliminate duplicates Z: 28 63.220 2.396 0.977 0.934 1.000 0.815 CB 1.791 28 residues pruned to eliminate duplicates Z: 181 146.000 2.515 1.149 0.705 0.967 0.633 CB 1.729 181 residues pruned to eliminate duplicates Z: 25 56.503 2.518 0.856 0.937 0.958 0.875 CB 1.793 25 residues pruned to eliminate duplicates Z: 11 23.668 2.316 0.662 0.790 0.900 0.700 CA 1.674 11 residues pruned to eliminate duplicates Z: 15 46.266 2.499 0.846 0.943 1.000 0.857 CB 1.858 15 residues pruned to eliminate duplicates Z: 18 61.674 2.469 1.416 0.921 1.000 0.647 CB 1.765 18 residues pruned to eliminate duplicates Z: 31 61.187 2.494 0.900 0.939 1.000 0.700 CB 1.638 31 residues pruned to eliminate duplicates Z: 14 14.298 2.153 0.495 0.487 0.846 0.615 CB 1.474 14 residues pruned to eliminate duplicates Z: 24 71.790 2.569 1.160 0.933 1.000 0.783 CB 1.883 24 residues pruned to eliminate duplicates Z: 18 32.654 2.292 1.121 0.803 0.882 0.588 CB 1.417 18 residues pruned to eliminate duplicates Z: 12 24.072 2.251 0.679 0.741 1.000 0.636 CB 1.548 12 residues pruned to eliminate duplicates Z: 20 37.304 2.168 1.111 0.874 1.000 0.526 CB 1.361 20 residues pruned to eliminate duplicates Z: 27 62.040 2.419 0.950 0.921 1.000 0.846 CA 1.815 27 residues pruned to eliminate duplicates Z: 21 61.748 2.578 1.088 0.884 1.000 0.700 CA 1.853 21 residues pruned to eliminate duplicates Z: 27 49.086 2.369 0.711 0.916 0.962 0.923 CB 1.743 27 residues pruned to eliminate duplicates Z: 28 52.389 2.426 0.945 0.858 0.926 0.593 CB 1.699 28 residues pruned to eliminate duplicates Z: 26 66.950 2.480 1.260 0.921 0.920 0.440 CB 1.828 26 residues pruned to eliminate duplicates Z: 172 148.786 2.569 1.168 0.697 0.971 0.567 CB 1.758 172 residues pruned to eliminate duplicates Z: 6 4.096 2.094 -0.050 0.557 0.600 0.600 CA 1.452 6 residues pruned to eliminate duplicates Z: 27 48.775 2.465 0.813 0.806 0.962 0.731 CB 1.704 27 residues pruned to eliminate duplicates Z: 27 54.206 2.454 1.326 0.919 0.808 0.269 CB 1.625 27 residues pruned to eliminate duplicates Z: 18 40.565 2.320 1.136 0.851 1.000 0.588 CB 1.469 18 residues pruned to eliminate duplicates Z: 6 5.776 2.143 -0.078 0.661 0.800 0.600 CA 1.407 6 residues pruned to eliminate duplicates Z: 20 32.773 2.191 1.042 0.810 0.947 0.368 CB 1.354 20 residues pruned to eliminate duplicates Z: 28 49.714 2.428 0.920 0.827 0.889 0.481 CB 1.740 28 residues pruned to eliminate duplicates Z: 31 73.585 2.516 1.232 0.949 0.967 0.767 CB 1.708 31 residues pruned to eliminate duplicates Z: 115 102.210 2.522 0.932 0.669 0.956 0.667 CB 1.757 115 residues pruned to eliminate duplicates Z: 229 164.038 2.508 1.169 0.712 0.956 0.601 CB 1.724 193 residues pruned to eliminate duplicates Z: 27 66.075 2.434 0.990 0.939 1.000 0.808 CA 1.859 27 residues pruned to eliminate duplicates Z: 180 149.886 2.559 1.108 0.703 0.961 0.676 CB 1.797 180 residues pruned to eliminate duplicates Z: 20 47.258 2.470 0.816 0.817 0.947 0.789 CB 1.938 20 residues pruned to eliminate duplicates Z: 26 57.463 2.436 0.867 0.932 0.960 0.760 CA 1.839 26 residues pruned to eliminate duplicates Z: 18 53.234 2.384 1.312 0.908 1.000 0.588 CB 1.665 18 residues pruned to eliminate duplicates Z: 28 50.200 2.441 0.950 0.818 0.889 0.556 CB 1.732 28 residues pruned to eliminate duplicates Z: 20 31.737 2.351 1.003 0.902 0.842 0.579 CB 1.309 20 residues pruned to eliminate duplicates Z: 21 53.408 2.371 1.388 0.928 0.950 0.600 CB 1.555 21 residues pruned to eliminate duplicates Z: 20 33.136 2.127 1.013 0.843 1.000 0.684 CB 1.321 20 residues pruned to eliminate duplicates Z: 17 39.379 2.403 0.978 0.856 1.000 0.688 CB 1.527 17 residues pruned to eliminate duplicates Z: 184 142.954 2.539 1.183 0.701 0.923 0.514 CB 1.719 184 residues pruned to eliminate duplicates Z: 28 55.964 2.351 0.900 0.917 0.963 0.741 CB 1.767 28 residues pruned to eliminate duplicates Z: 27 68.440 2.525 1.330 0.907 1.000 0.462 CB 1.622 27 residues pruned to eliminate duplicates Z: 28 75.295 2.421 1.388 0.932 1.000 0.704 CB 1.750 28 residues pruned to eliminate duplicates Z: 11 27.529 2.379 0.679 0.799 1.000 0.700 CB 1.678 11 residues pruned to eliminate duplicates Z: 16 23.085 2.382 0.637 0.592 0.867 0.600 CB 1.616 16 residues pruned to eliminate duplicates Z: 31 55.324 2.448 0.996 0.924 0.967 0.767 CB 1.503 31 residues pruned to eliminate duplicates Z: 21 42.311 2.487 0.699 0.852 1.000 0.950 CA 1.657 21 residues pruned to eliminate duplicates Z: 40 52.567 2.435 0.867 0.618 0.897 0.641 CB 1.845 40 residues pruned to eliminate duplicates Z: 17 56.048 2.565 1.399 0.896 0.938 0.312 CB 1.740 17 residues pruned to eliminate duplicates Z: 31 70.605 2.518 1.396 0.948 0.967 0.533 CB 1.527 31 residues pruned to eliminate duplicates Z: 64 61.146 2.377 1.009 0.536 0.937 0.540 CB 1.663 64 residues pruned to eliminate duplicates Z: 18 43.994 2.392 1.167 0.871 0.941 0.529 CB 1.595 18 residues pruned to eliminate duplicates Z: 31 74.219 2.500 1.541 0.937 0.967 0.367 CB 1.535 31 residues pruned to eliminate duplicates Z: 183 150.747 2.544 1.218 0.693 0.951 0.588 CB 1.746 183 residues pruned to eliminate duplicates Z: 117 117.152 2.501 1.100 0.723 0.974 0.776 CB 1.739 117 residues pruned to eliminate duplicates Z: 172 153.628 2.549 1.212 0.732 0.977 0.608 CB 1.731 182 residues pruned to eliminate duplicates Z: 9 11.283 2.033 0.634 0.351 0.875 0.375 CB 1.612 9 residues pruned to eliminate duplicates Z: 28 56.466 2.358 0.880 0.929 0.963 0.815 CA 1.782 28 residues pruned to eliminate duplicates Z: 18 28.421 2.194 0.662 0.842 1.000 0.824 CB 1.408 18 residues pruned to eliminate duplicates Z: 67 80.082 2.570 0.875 0.714 0.955 0.788 CB 1.764 35 residues pruned to eliminate duplicates Z: 6 3.974 2.084 -0.025 0.537 0.600 0.600 CA 1.406 6 residues pruned to eliminate duplicates Z: 16 29.147 2.154 0.700 0.806 0.933 0.733 CA 1.686 16 residues pruned to eliminate duplicates Z: 17 11.303 1.890 0.592 0.410 0.875 0.375 CB 1.179 17 residues pruned to eliminate duplicates Z: 10 31.090 2.490 0.901 0.899 1.000 0.667 CB 1.565 10 residues pruned to eliminate duplicates Z: 91 94.284 2.465 1.062 0.728 0.944 0.667 CB 1.685 111 residues pruned to eliminate duplicates Z: 18 45.729 2.415 1.070 0.894 1.000 1.000 CB 1.591 18 residues pruned to eliminate duplicates Z: 12 33.286 2.316 0.977 0.842 1.000 0.636 CB 1.633 12 residues pruned to eliminate duplicates Z: 79 84.341 2.503 0.989 0.665 0.987 0.744 CB 1.669 79 residues pruned to eliminate duplicates Z: 10 27.175 2.262 0.781 0.844 1.000 0.444 CB 1.673 10 residues pruned to eliminate duplicates Z: 17 31.061 2.319 0.806 0.897 0.938 0.438 CB 1.415 Z: 31 76.697 2.563 1.258 0.912 0.967 0.533 CB 1.773 31 residues pruned to eliminate duplicates Z: 70 69.059 2.456 0.874 0.546 0.971 0.493 CB 1.780 70 residues pruned to eliminate duplicates Z: 19 49.517 2.432 0.931 0.940 1.000 0.944 CB 1.726 19 residues pruned to eliminate duplicates Z: 28 59.305 2.412 1.224 0.812 0.889 0.630 CB 1.824 28 residues pruned to eliminate duplicates Z: 23 53.572 2.487 0.972 0.859 0.955 0.455 CB 1.795 23 residues pruned to eliminate duplicates Z: 17 52.654 2.452 1.305 0.926 1.000 0.750 CB 1.633 17 residues pruned to eliminate duplicates Z: 32 63.035 2.443 1.139 0.898 0.968 0.710 CB 1.601 32 residues pruned to eliminate duplicates Z: 8 5.856 1.595 0.478 0.811 0.714 0.571 CB 1.003 8 residues pruned to eliminate duplicates Z: 6 5.999 1.863 0.446 0.543 0.800 0.600 CA 1.193 6 residues pruned to eliminate duplicates Z: 26 72.480 2.376 1.431 0.959 1.000 0.640 CB 1.721 26 residues pruned to eliminate duplicates Z: 19 35.603 2.245 1.059 0.870 0.944 0.556 CB 1.403 17 residues pruned to eliminate duplicates Z: 27 35.396 2.251 1.027 0.610 0.923 0.615 CB 1.485 29 residues pruned to eliminate duplicates Z: 21 61.348 2.498 1.336 0.871 0.950 0.600 CA 1.805 21 residues pruned to eliminate duplicates Z: 126 114.048 2.495 1.022 0.720 0.960 0.736 CB 1.727 126 residues pruned to eliminate duplicates Z: 319 185.499 2.526 1.100 0.700 0.950 0.638 CB 1.721 319 residues pruned to eliminate duplicates Z: 44 86.259 2.648 1.200 0.765 0.977 0.814 CB 1.827 44 residues pruned to eliminate duplicates Z: 9 30.536 2.331 1.058 0.881 0.875 0.625 CB 1.863 9 residues pruned to eliminate duplicates Z: 38 60.125 2.456 0.966 0.734 0.973 0.676 CB 1.705 32 residues pruned to eliminate duplicates Z: 10 21.465 2.139 0.753 0.882 0.889 0.778 CA 1.553 37 residues pruned to eliminate duplicates Z: 27 70.096 2.518 1.261 0.941 1.000 0.769 CB 1.675 27 residues pruned to eliminate duplicates Z: 30 60.638 2.473 1.350 0.914 0.931 0.310 CB 1.471 30 residues pruned to eliminate duplicates Z: 28 61.145 2.371 1.027 0.929 0.963 0.926 CB 1.779 28 residues pruned to eliminate duplicates Z: 27 43.233 2.244 0.891 0.770 0.962 0.808 CA 1.636 27 residues pruned to eliminate duplicates Z: 18 27.777 2.345 0.490 0.822 0.824 0.529 CB 1.771 18 residues pruned to eliminate duplicates Z: 8 6.347 1.822 0.164 0.666 0.857 0.714 CB 1.131 8 residues pruned to eliminate duplicates Z: 46 58.446 2.452 0.972 0.707 0.933 0.533 CB 1.599 46 residues pruned to eliminate duplicates Z: 7 10.291 1.852 0.302 0.805 1.000 0.667 CB 1.335 Z: 7 12.373 2.023 0.848 0.744 0.833 0.500 CA 1.304 Z: 6 5.226 1.603 0.662 0.367 0.800 0.600 CA 1.266 Z: 23 18.717 2.101 0.720 0.353 0.818 0.455 CA 1.582 23 residues pruned to eliminate duplicates Z: 89 98.941 2.486 1.021 0.790 0.966 0.795 CB 1.685 89 residues pruned to eliminate duplicates Z: 102 103.526 2.501 1.061 0.696 0.960 0.733 CB 1.740 102 residues pruned to eliminate duplicates Z: 18 33.264 2.207 0.903 0.850 1.000 0.412 CB 1.423 18 residues pruned to eliminate duplicates Z: 55 84.992 2.463 1.123 0.759 0.981 0.667 CB 1.790 55 residues pruned to eliminate duplicates Z: 11 28.911 2.349 0.941 0.745 1.000 0.700 CB 1.611 11 residues pruned to eliminate duplicates Z: 18 43.699 2.362 1.118 0.879 1.000 0.824 CB 1.537 18 residues pruned to eliminate duplicates Z: 12 28.261 2.322 1.097 0.826 0.909 0.727 CB 1.452 12 residues pruned to eliminate duplicates Z: 18 45.009 2.288 1.154 0.900 0.941 0.353 CB 1.682 18 residues pruned to eliminate duplicates Z: 15 31.524 2.519 0.894 0.783 0.786 0.429 CB 1.752 15 residues pruned to eliminate duplicates Z: 7 12.701 1.977 0.671 0.858 0.833 0.833 CB 1.387 Z: 17 30.581 2.312 0.791 0.526 0.938 0.625 CA 1.919 17 residues pruned to eliminate duplicates Z: 141 122.574 2.548 0.969 0.741 0.950 0.721 CB 1.752 141 residues pruned to eliminate duplicates Z: 51 54.029 2.429 0.805 0.589 0.900 0.540 CB 1.778 51 residues pruned to eliminate duplicates Z: 6 3.543 1.684 0.483 0.421 0.600 0.400 CB 1.148 Z: 20 29.261 2.183 0.977 0.775 0.895 0.211 CB 1.364 20 residues pruned to eliminate duplicates Z: 28 50.674 2.432 0.912 0.862 0.889 0.593 CB 1.732 28 residues pruned to eliminate duplicates Z: 20 30.924 2.159 0.603 0.877 1.000 0.842 CB 1.488 20 residues pruned to eliminate duplicates Z: 41 43.217 2.272 0.969 0.525 0.925 0.600 CB 1.611 41 residues pruned to eliminate duplicates Z: 14 31.712 2.286 0.680 0.870 1.000 0.846 CA 1.673 14 residues pruned to eliminate duplicates Z: 18 39.329 2.312 1.163 0.877 1.000 0.471 CB 1.386 18 residues pruned to eliminate duplicates Z: 89 108.037 2.547 1.320 0.668 0.955 0.534 CB 1.748 89 residues pruned to eliminate duplicates Z: 7 11.144 1.966 0.477 0.892 1.000 1.000 CB 1.125 7 residues pruned to eliminate duplicates Z: 18 37.331 2.404 0.792 0.885 1.000 0.765 CB 1.518 18 residues pruned to eliminate duplicates Z: 182 145.841 2.551 1.195 0.679 0.934 0.575 CB 1.759 182 residues pruned to eliminate duplicates Z: 71 77.800 2.527 0.983 0.619 0.943 0.571 CB 1.760 71 residues pruned to eliminate duplicates Z: 25 34.715 2.295 0.787 0.731 0.917 0.833 CB 1.531 25 residues pruned to eliminate duplicates Z: 10 30.959 2.494 0.906 0.816 0.889 0.778 CA 1.856 10 residues pruned to eliminate duplicates Z: 59 74.373 2.379 1.039 0.724 0.948 0.655 CB 1.734 59 residues pruned to eliminate duplicates Z: 22 74.548 2.543 1.506 0.897 1.000 0.810 CB 1.827 22 residues pruned to eliminate duplicates Z: 31 76.309 2.487 1.461 0.955 0.967 0.400 CB 1.619 31 residues pruned to eliminate duplicates Z: 186 155.498 2.567 1.193 0.692 0.962 0.584 CB 1.771 181 residues pruned to eliminate duplicates Z: 6 4.222 1.813 0.237 0.297 0.800 0.400 N 1.320 Z: 101 93.879 2.490 0.888 0.731 0.970 0.790 CB 1.673 101 residues pruned to eliminate duplicates Z: 75 113.998 2.584 1.373 0.747 1.000 0.635 CB 1.734 75 residues pruned to eliminate duplicates Z: 150 135.891 2.519 1.232 0.716 0.953 0.617 CB 1.709 157 residues pruned to eliminate duplicates Z: 26 32.229 2.181 1.006 0.658 0.960 0.560 CB 1.325 26 residues pruned to eliminate duplicates Z: 180 129.666 2.512 1.121 0.644 0.922 0.575 CB 1.725 129 residues pruned to eliminate duplicates Z: 11 26.022 2.254 1.157 0.891 0.800 0.400 CB 1.521 11 residues pruned to eliminate duplicates Z: 88 106.636 2.565 1.254 0.670 0.966 0.552 CB 1.751 88 residues pruned to eliminate duplicates Z: 17 51.217 2.374 1.597 0.921 0.938 0.562 CB 1.559 Z: 25 67.896 2.442 1.145 0.930 1.000 0.625 CB 1.850 25 residues pruned to eliminate duplicates Z: 14 36.702 2.420 1.214 0.933 1.000 0.462 CB 1.327 14 residues pruned to eliminate duplicates Z: 10 13.718 2.224 0.897 0.628 0.778 0.556 CB 1.236 10 residues pruned to eliminate duplicates Z: 181 156.052 2.558 1.233 0.697 0.961 0.556 CB 1.770 194 residues pruned to eliminate duplicates Z: 16 41.595 2.530 1.282 0.807 0.867 0.467 CB 1.642 16 residues pruned to eliminate duplicates Z: 44 32.433 2.192 0.761 0.416 0.907 0.512 CB 1.542 44 residues pruned to eliminate duplicates Z: 22 16.494 2.056 0.663 0.378 0.810 0.476 CB 1.481 22 residues pruned to eliminate duplicates Z: 132 129.234 2.560 1.237 0.681 0.962 0.649 CB 1.736 132 residues pruned to eliminate duplicates Z: 185 143.656 2.565 1.141 0.699 0.924 0.587 CB 1.741 185 residues pruned to eliminate duplicates Z: 47 71.338 2.380 1.073 0.804 0.957 0.696 CB 1.709 47 residues pruned to eliminate duplicates Z: 121 119.556 2.537 1.200 0.689 0.950 0.592 CB 1.731 121 residues pruned to eliminate duplicates Z: 159 137.158 2.523 1.103 0.763 0.943 0.703 CB 1.726 159 residues pruned to eliminate duplicates Z: 18 37.818 2.357 0.767 0.887 1.000 0.882 CB 1.587 18 residues pruned to eliminate duplicates Z: 7 9.711 1.701 0.513 0.875 1.000 0.833 CA 1.120 7 residues pruned to eliminate duplicates Z: 67 77.144 2.532 1.015 0.630 0.924 0.652 CB 1.782 67 residues pruned to eliminate duplicates Z: 7 11.957 1.870 0.842 0.480 1.000 0.667 CA 1.445 Z: 183 153.166 2.493 1.198 0.734 0.989 0.615 CB 1.698 200 residues pruned to eliminate duplicates Z: 27 78.409 2.395 1.476 0.907 1.000 0.731 CA 1.843 27 residues pruned to eliminate duplicates Z: 152 135.204 2.489 1.205 0.726 0.974 0.689 CB 1.681 152 residues pruned to eliminate duplicates Z: 11 16.019 1.972 0.737 0.843 1.000 0.600 CB 1.101 11 residues pruned to eliminate duplicates Z: 6 2.579 1.534 0.369 0.331 1.000 0.400 CB 0.660 Z: 47 76.838 2.451 1.137 0.798 0.935 0.717 CB 1.784 47 residues pruned to eliminate duplicates Z: 31 70.373 2.492 1.284 0.941 0.933 0.667 CB 1.678 31 residues pruned to eliminate duplicates Z: 39 60.681 2.544 1.054 0.623 0.947 0.658 CB 1.772 39 residues pruned to eliminate duplicates Z: 175 143.559 2.502 1.188 0.704 0.966 0.644 CB 1.710 181 residues pruned to eliminate duplicates Z: 47 67.054 2.402 1.090 0.799 0.957 0.804 CB 1.584 47 residues pruned to eliminate duplicates Z: 19 37.097 2.308 1.201 0.832 0.944 0.500 CB 1.368 19 residues pruned to eliminate duplicates Z: 6 12.083 2.120 0.256 0.693 1.000 0.800 CA 1.701 6 residues pruned to eliminate duplicates Z: 9 12.519 1.945 0.904 0.480 0.875 0.500 CA 1.395 9 residues pruned to eliminate duplicates Z: 19 46.700 2.310 1.052 0.908 1.000 0.944 CB 1.649 19 residues pruned to eliminate duplicates Z: 199 155.959 2.522 1.225 0.706 0.949 0.636 CB 1.726 199 residues pruned to eliminate duplicates Z: 98 104.136 2.495 1.082 0.741 0.928 0.670 CB 1.768 98 residues pruned to eliminate duplicates Z: 140 130.319 2.512 1.130 0.771 0.971 0.683 CB 1.673 45 residues pruned to eliminate duplicates Z: 33 67.181 2.401 1.320 0.869 0.969 0.844 CB 1.608 33 residues pruned to eliminate duplicates Z: 61 81.723 2.569 1.026 0.758 0.917 0.517 CB 1.757 61 residues pruned to eliminate duplicates Z: 6 2.688 1.469 0.413 0.449 0.800 0.800 CB 0.762 Z: 69 81.813 2.501 1.130 0.592 0.985 0.706 CB 1.731 69 residues pruned to eliminate duplicates Z: 28 57.840 2.431 1.000 0.840 0.963 0.667 CB 1.775 28 residues pruned to eliminate duplicates Z: 38 29.207 2.121 0.799 0.472 0.892 0.486 CB 1.452 38 residues pruned to eliminate duplicates Z: 138 122.486 2.553 0.970 0.711 0.978 0.693 CB 1.757 138 residues pruned to eliminate duplicates Z: 29 48.526 2.249 0.918 0.883 0.964 0.750 CB 1.595 29 residues pruned to eliminate duplicates Z: 9 32.876 2.297 1.121 0.919 1.000 0.875 CA 1.681 9 residues pruned to eliminate duplicates Z: 94 101.085 2.498 1.191 0.645 0.968 0.527 CB 1.729 94 residues pruned to eliminate duplicates Z: 67 59.373 2.376 0.834 0.571 0.939 0.636 CB 1.668 67 residues pruned to eliminate duplicates Z: 47 51.192 2.346 0.913 0.534 0.957 0.587 CB 1.701 47 residues pruned to eliminate duplicates Z: 13 24.873 2.297 0.739 0.665 0.917 0.333 CB 1.684 13 residues pruned to eliminate duplicates Z: 121 127.640 2.550 1.252 0.696 0.975 0.617 CB 1.740 121 residues pruned to eliminate duplicates Z: 110 108.984 2.514 1.149 0.633 0.963 0.651 CB 1.771 110 residues pruned to eliminate duplicates Z: 18 29.666 2.341 0.904 0.516 0.882 0.588 CB 1.801 18 residues pruned to eliminate duplicates Z: 62 67.342 2.430 1.052 0.569 0.934 0.492 CB 1.730 62 residues pruned to eliminate duplicates Z: 28 54.572 2.468 0.986 0.841 0.889 0.704 CB 1.798 35 residues pruned to eliminate duplicates Z: 8 7.121 1.636 0.793 0.419 0.857 0.571 CB 1.165 Z: 43 50.601 2.331 0.878 0.635 0.857 0.595 CB 1.833 43 residues pruned to eliminate duplicates Z: 6 2.139 1.404 -0.086 0.562 0.800 0.800 O 0.878 Z: 37 45.073 2.433 1.020 0.611 0.861 0.583 CB 1.597 37 residues pruned to eliminate duplicates Z: 19 30.741 2.316 1.061 0.782 0.889 0.667 CB 1.332 19 residues pruned to eliminate duplicates Z: 19 46.803 2.384 1.201 0.860 0.889 0.556 CB 1.739 19 residues pruned to eliminate duplicates Z: 7 12.056 1.916 0.965 0.601 0.833 0.333 N 1.424 7 residues pruned to eliminate duplicates Z: 12 35.431 2.204 1.427 0.793 1.000 0.727 CB 1.544 12 residues pruned to eliminate duplicates Z: 76 89.697 2.504 1.083 0.685 0.960 0.627 CB 1.744 76 residues pruned to eliminate duplicates Z: 27 54.735 2.397 0.789 0.939 0.962 0.923 CA 1.809 27 residues pruned to eliminate duplicates Z: 6 9.890 1.834 0.532 0.683 1.000 0.600 CB 1.331 5 residues pruned to eliminate duplicates Z: 17 58.762 2.481 1.527 0.925 0.938 0.500 CB 1.753 17 residues pruned to eliminate duplicates Z: 177 140.842 2.512 1.198 0.674 0.955 0.591 CB 1.716 177 residues pruned to eliminate duplicates Z: 47 63.438 2.452 1.123 0.654 0.913 0.543 CB 1.706 47 residues pruned to eliminate duplicates Z: 179 134.385 2.511 1.134 0.653 0.949 0.562 CB 1.717 179 residues pruned to eliminate duplicates Z: 23 58.451 2.527 1.430 0.720 0.955 0.636 CB 1.743 23 residues pruned to eliminate duplicates Z: 7 13.217 1.860 0.745 0.755 1.000 1.000 CA 1.324 7 residues pruned to eliminate duplicates Z: 90 86.884 2.489 0.957 0.692 0.910 0.685 CB 1.743 49 residues pruned to eliminate duplicates Z: 26 62.524 2.581 1.012 0.941 0.960 0.840 CB 1.742 26 residues pruned to eliminate duplicates Z: 12 26.209 2.381 0.918 0.569 0.909 0.545 CB 1.780 12 residues pruned to eliminate duplicates Z: 143 123.725 2.540 0.984 0.704 0.979 0.697 CB 1.749 143 residues pruned to eliminate duplicates Z: 27 67.539 2.414 1.061 0.936 1.000 0.846 CA 1.853 27 residues pruned to eliminate duplicates Z: 8 9.933 1.373 0.663 0.874 1.000 0.714 CA 1.197 8 residues pruned to eliminate duplicates Z: 6 3.378 1.648 0.703 0.341 0.600 0.400 N 1.066 Using tripeptides from previous cycle as seeds Z: 27 68.367 2.527 1.170 0.927 1.000 0.692 CB 1.714 27 residues pruned to eliminate duplicates Z: 182 150.701 2.549 1.175 0.691 0.956 0.564 CB 1.775 182 residues pruned to eliminate duplicates Z: 184 142.769 2.546 1.195 0.699 0.913 0.568 CB 1.726 184 residues pruned to eliminate duplicates Z: 185 141.998 2.544 1.170 0.701 0.913 0.582 CB 1.729 185 residues pruned to eliminate duplicates Z: 128 150.051 2.607 1.385 0.742 0.984 0.583 CB 1.752 128 residues pruned to eliminate duplicates Z: 183 149.962 2.557 1.231 0.690 0.945 0.549 CB 1.734 183 residues pruned to eliminate duplicates Z: 143 145.180 2.567 1.303 0.706 0.986 0.599 CB 1.734 143 residues pruned to eliminate duplicates Z: 133 139.292 2.589 1.317 0.731 0.939 0.553 CB 1.746 133 residues pruned to eliminate duplicates Z: 144 131.355 2.533 1.241 0.704 0.937 0.559 CB 1.716 144 residues pruned to eliminate duplicates Z: 172 153.308 2.577 1.223 0.728 0.953 0.573 CB 1.749 171 residues pruned to eliminate duplicates Z: 27 78.424 2.534 1.483 0.928 1.000 0.731 CB 1.712 27 residues pruned to eliminate duplicates Z: 144 127.918 2.544 1.255 0.678 0.930 0.552 CB 1.701 144 residues pruned to eliminate duplicates Z: 183 148.131 2.550 1.156 0.696 0.945 0.593 CB 1.767 183 residues pruned to eliminate duplicates Z: 187 146.574 2.546 1.163 0.695 0.930 0.543 CB 1.756 187 residues pruned to eliminate duplicates Z: 185 149.237 2.556 1.149 0.682 0.962 0.609 CB 1.762 185 residues pruned to eliminate duplicates Z: 141 126.924 2.529 1.306 0.675 0.929 0.564 CB 1.687 141 residues pruned to eliminate duplicates Z: 186 155.018 2.560 1.268 0.696 0.941 0.557 CB 1.746 186 residues pruned to eliminate duplicates Z: 185 147.166 2.550 1.182 0.700 0.940 0.549 CB 1.728 185 residues pruned to eliminate duplicates Z: 188 148.003 2.543 1.161 0.677 0.963 0.604 CB 1.738 188 residues pruned to eliminate duplicates Z: 185 133.227 2.550 1.104 0.687 0.902 0.603 CB 1.710 185 residues pruned to eliminate duplicates Z: 184 150.621 2.572 1.198 0.710 0.923 0.590 CB 1.763 184 residues pruned to eliminate duplicates Z: 142 142.938 2.553 1.312 0.704 0.986 0.546 CB 1.719 142 residues pruned to eliminate duplicates Z: 129 145.210 2.597 1.375 0.740 0.969 0.555 CB 1.732 129 residues pruned to eliminate duplicates Z: 31 51.066 2.510 1.309 0.608 0.900 0.733 CB 1.614 31 residues pruned to eliminate duplicates Z: 182 142.837 2.542 1.177 0.674 0.950 0.575 CB 1.720 182 residues pruned to eliminate duplicates Z: 131 141.292 2.579 1.250 0.736 0.992 0.662 CB 1.741 131 residues pruned to eliminate duplicates Z: 186 146.571 2.558 1.155 0.687 0.946 0.589 CB 1.741 186 residues pruned to eliminate duplicates Z: 141 141.875 2.578 1.305 0.706 0.971 0.579 CB 1.723 141 residues pruned to eliminate duplicates Z: 179 137.466 2.520 1.189 0.651 0.944 0.556 CB 1.719 179 residues pruned to eliminate duplicates Z: 129 143.254 2.602 1.296 0.741 0.977 0.594 CB 1.749 129 residues pruned to eliminate duplicates Z: 129 137.843 2.586 1.307 0.736 0.945 0.578 CB 1.748 129 residues pruned to eliminate duplicates Z: 171 152.367 2.584 1.204 0.709 0.959 0.582 CB 1.770 171 residues pruned to eliminate duplicates Z: 171 149.247 2.585 1.138 0.740 0.947 0.571 CB 1.764 171 residues pruned to eliminate duplicates Z: 206 151.967 2.536 1.144 0.694 0.951 0.551 CB 1.718 206 residues pruned to eliminate duplicates Z: 186 152.198 2.552 1.161 0.707 0.951 0.562 CB 1.766 186 residues pruned to eliminate duplicates Z: 185 146.637 2.557 1.140 0.688 0.957 0.565 CB 1.739 185 residues pruned to eliminate duplicates Z: 177 141.317 2.544 1.166 0.680 0.938 0.534 CB 1.748 177 residues pruned to eliminate duplicates Z: 129 140.461 2.586 1.324 0.729 0.961 0.617 CB 1.750 129 residues pruned to eliminate duplicates Z: 91 112.438 2.570 1.226 0.785 0.956 0.644 CB 1.687 91 residues pruned to eliminate duplicates Z: 146 136.352 2.571 1.169 0.701 0.966 0.572 CB 1.750 146 residues pruned to eliminate duplicates Z: 185 147.301 2.542 1.157 0.713 0.940 0.549 CB 1.736 185 residues pruned to eliminate duplicates Z: 158 137.083 2.546 1.162 0.703 0.949 0.541 CB 1.740 158 residues pruned to eliminate duplicates Z: 146 135.864 2.557 1.169 0.700 0.986 0.531 CB 1.719 146 residues pruned to eliminate duplicates Z: 182 142.986 2.534 1.161 0.667 0.950 0.613 CB 1.749 182 residues pruned to eliminate duplicates Z: 183 143.280 2.540 1.154 0.696 0.940 0.571 CB 1.728 183 residues pruned to eliminate duplicates Z: 160 139.938 2.550 1.128 0.705 0.962 0.579 CB 1.764 160 residues pruned to eliminate duplicates Z: 7 14.290 2.385 0.899 0.430 0.833 0.333 CB 1.662 Z: 46 78.247 2.458 1.118 0.781 0.933 0.644 CB 1.873 53 residues pruned to eliminate duplicates Z: 183 147.439 2.547 1.220 0.674 0.945 0.527 CB 1.742 183 residues pruned to eliminate duplicates Z: 48 62.005 2.487 0.948 0.653 0.915 0.638 CB 1.770 48 residues pruned to eliminate duplicates Z: 183 151.676 2.560 1.238 0.698 0.940 0.588 CB 1.743 183 residues pruned to eliminate duplicates Z: 47 64.187 2.517 0.953 0.664 0.891 0.543 CB 1.855 49 residues pruned to eliminate duplicates Z: 27 63.416 2.515 1.125 0.811 0.923 0.577 CB 1.922 27 residues pruned to eliminate duplicates Z: 186 153.692 2.552 1.230 0.699 0.941 0.589 CB 1.760 186 residues pruned to eliminate duplicates Z: 185 150.365 2.552 1.185 0.702 0.951 0.576 CB 1.738 185 residues pruned to eliminate duplicates Z: 186 145.497 2.541 1.179 0.692 0.946 0.562 CB 1.713 186 residues pruned to eliminate duplicates Z: 45 62.727 2.503 1.099 0.645 0.864 0.614 CB 1.820 45 residues pruned to eliminate duplicates Z: 118 111.531 2.507 0.999 0.708 0.966 0.684 CB 1.763 118 residues pruned to eliminate duplicates Z: 184 155.952 2.547 1.221 0.692 0.967 0.563 CB 1.768 184 residues pruned to eliminate duplicates Z: 46 72.153 2.541 0.955 0.679 0.978 0.667 CB 1.878 40 residues pruned to eliminate duplicates Z: 27 65.697 2.552 1.031 0.846 0.962 0.769 CB 1.921 27 residues pruned to eliminate duplicates Z: 73 96.527 2.576 1.105 0.669 0.972 0.583 CB 1.846 46 residues pruned to eliminate duplicates Z: 28 58.081 2.496 0.999 0.781 0.926 0.630 CA 1.889 28 residues pruned to eliminate duplicates Z: 38 62.910 2.536 1.053 0.608 0.973 0.595 CB 1.843 38 residues pruned to eliminate duplicates Z: 46 68.977 2.507 1.001 0.653 0.956 0.644 CB 1.861 46 residues pruned to eliminate duplicates Z: 184 161.870 2.574 1.221 0.700 0.973 0.612 CB 1.793 184 residues pruned to eliminate duplicates Z: 38 55.685 2.527 0.886 0.619 0.946 0.649 CB 1.815 38 residues pruned to eliminate duplicates Z: 184 153.592 2.566 1.169 0.696 0.951 0.568 CB 1.794 184 residues pruned to eliminate duplicates Z: 27 40.250 2.453 1.101 0.443 0.885 0.538 CB 1.835 27 residues pruned to eliminate duplicates Z: 38 63.795 2.540 0.965 0.654 0.973 0.649 CB 1.871 38 residues pruned to eliminate duplicates Z: 44 78.882 2.579 1.121 0.661 0.977 0.651 CB 1.939 44 residues pruned to eliminate duplicates Z: 44 72.247 2.522 1.134 0.652 0.930 0.581 CB 1.910 44 residues pruned to eliminate duplicates Z: 229 160.569 2.521 1.132 0.708 0.943 0.610 CB 1.737 229 residues pruned to eliminate duplicates Z: 27 29.861 2.337 1.145 0.417 0.808 0.538 CB 1.577 27 residues pruned to eliminate duplicates Z: 26 50.104 2.486 1.201 0.529 0.960 0.440 CB 1.855 14 residues pruned to eliminate duplicates Z: 7 8.357 1.956 0.672 0.340 0.833 0.333 CA 1.490 7 residues pruned to eliminate duplicates Z: 185 158.388 2.567 1.185 0.696 0.978 0.560 CB 1.779 185 residues pruned to eliminate duplicates Z: 39 56.376 2.503 0.964 0.611 0.921 0.579 CB 1.818 39 residues pruned to eliminate duplicates Z: 184 156.388 2.576 1.192 0.694 0.962 0.596 CB 1.784 184 residues pruned to eliminate duplicates Z: 23 26.170 2.415 0.936 0.424 0.773 0.364 CB 1.672 23 residues pruned to eliminate duplicates Z: 75 83.684 2.492 1.098 0.643 0.919 0.649 CB 1.772 75 residues pruned to eliminate duplicates Z: 29 40.653 2.421 0.981 0.500 0.964 0.571 CB 1.661 29 residues pruned to eliminate duplicates Z: 45 67.380 2.516 0.935 0.664 0.932 0.614 CB 1.923 45 residues pruned to eliminate duplicates Z: 73 86.029 2.538 1.031 0.648 0.958 0.653 CB 1.787 73 residues pruned to eliminate duplicates Z: 185 149.962 2.532 1.207 0.695 0.957 0.560 CB 1.732 74 residues pruned to eliminate duplicates Z: 11 22.642 2.302 0.923 0.588 0.900 0.600 CA 1.652 11 residues pruned to eliminate duplicates Z: 182 133.848 2.551 0.949 0.682 0.950 0.691 CB 1.781 182 residues pruned to eliminate duplicates Z: 180 132.591 2.545 1.044 0.646 0.939 0.592 CB 1.770 180 residues pruned to eliminate duplicates Z: 182 150.255 2.571 1.111 0.685 0.967 0.663 CB 1.795 182 residues pruned to eliminate duplicates Z: 58 64.688 2.443 0.979 0.579 0.947 0.544 CB 1.733 58 residues pruned to eliminate duplicates Z: 79 89.421 2.556 1.022 0.647 0.974 0.705 CB 1.754 79 residues pruned to eliminate duplicates Z: 183 141.436 2.565 1.004 0.687 0.962 0.654 CB 1.787 183 residues pruned to eliminate duplicates Z: 127 115.210 2.565 0.994 0.644 0.960 0.619 CB 1.828 127 residues pruned to eliminate duplicates Z: 186 140.808 2.558 1.027 0.686 0.946 0.616 CB 1.781 186 residues pruned to eliminate duplicates Z: 81 92.680 2.548 1.097 0.665 0.963 0.613 CB 1.729 81 residues pruned to eliminate duplicates Z: 105 108.575 2.523 1.086 0.693 0.962 0.712 CB 1.764 105 residues pruned to eliminate duplicates Z: 79 88.166 2.559 0.972 0.652 0.974 0.679 CB 1.763 79 residues pruned to eliminate duplicates Z: 118 115.547 2.544 1.005 0.700 0.974 0.718 CB 1.791 119 residues pruned to eliminate duplicates Z: 7 11.879 2.067 0.658 0.539 1.000 0.500 CA 1.362 7 residues pruned to eliminate duplicates Z: 123 110.214 2.540 1.032 0.647 0.943 0.615 CB 1.788 123 residues pruned to eliminate duplicates Z: 145 133.321 2.561 1.102 0.699 0.972 0.736 CB 1.770 145 residues pruned to eliminate duplicates Z: 119 109.607 2.556 0.931 0.658 0.975 0.686 CB 1.812 119 residues pruned to eliminate duplicates Z: 180 147.689 2.547 1.144 0.665 0.961 0.542 CB 1.805 180 residues pruned to eliminate duplicates Z: 70 69.686 2.523 0.917 0.590 0.913 0.623 CB 1.744 70 residues pruned to eliminate duplicates Z: 144 122.966 2.539 1.041 0.691 0.951 0.706 CB 1.753 144 residues pruned to eliminate duplicates Z: 143 125.284 2.552 1.069 0.692 0.958 0.725 CB 1.744 143 residues pruned to eliminate duplicates Z: 143 129.679 2.543 1.120 0.705 0.972 0.697 CB 1.723 143 residues pruned to eliminate duplicates Z: 145 124.041 2.557 1.044 0.689 0.944 0.743 CB 1.762 145 residues pruned to eliminate duplicates Z: 68 80.560 2.580 0.997 0.626 0.955 0.627 CB 1.775 68 residues pruned to eliminate duplicates Z: 101 99.814 2.536 0.965 0.679 0.960 0.730 CB 1.769 101 residues pruned to eliminate duplicates Z: 90 109.258 2.610 1.000 0.736 0.978 0.764 CB 1.836 90 residues pruned to eliminate duplicates Z: 142 118.310 2.546 0.974 0.692 0.950 0.695 CB 1.750 142 residues pruned to eliminate duplicates Z: 38 43.887 2.381 0.939 0.474 0.946 0.622 CB 1.696 38 residues pruned to eliminate duplicates Z: 70 81.178 2.544 1.006 0.613 0.971 0.638 CB 1.772 70 residues pruned to eliminate duplicates Z: 145 128.392 2.560 1.005 0.669 0.972 0.694 CB 1.834 145 residues pruned to eliminate duplicates Z: 65 93.165 2.625 1.090 0.716 0.969 0.719 CB 1.802 65 residues pruned to eliminate duplicates Z: 57 87.235 2.632 1.069 0.683 0.982 0.696 CB 1.842 57 residues pruned to eliminate duplicates Z: 182 137.575 2.558 0.968 0.687 0.956 0.674 CB 1.791 182 residues pruned to eliminate duplicates Z: 181 144.090 2.565 1.005 0.701 0.961 0.722 CB 1.809 181 residues pruned to eliminate duplicates Z: 67 80.895 2.547 1.057 0.610 0.985 0.621 CB 1.739 67 residues pruned to eliminate duplicates Z: 22 61.826 2.550 1.131 0.869 1.000 0.714 CA 1.813 22 residues pruned to eliminate duplicates Z: 176 133.518 2.563 0.985 0.679 0.943 0.680 CB 1.785 176 residues pruned to eliminate duplicates Z: 181 144.362 2.555 1.089 0.677 0.967 0.644 CB 1.772 181 residues pruned to eliminate duplicates Z: 146 128.305 2.548 1.071 0.675 0.972 0.669 CB 1.768 146 residues pruned to eliminate duplicates Z: 70 84.611 2.555 1.075 0.615 0.971 0.594 CB 1.775 70 residues pruned to eliminate duplicates Z: 183 144.816 2.543 1.059 0.694 0.962 0.725 CB 1.786 183 residues pruned to eliminate duplicates Z: 71 84.298 2.541 1.052 0.639 0.957 0.686 CB 1.773 71 residues pruned to eliminate duplicates Z: 65 92.922 2.623 1.036 0.723 0.984 0.703 CB 1.807 65 residues pruned to eliminate duplicates Z: 69 85.137 2.564 1.046 0.613 0.985 0.618 CB 1.794 69 residues pruned to eliminate duplicates Z: 186 137.754 2.536 1.024 0.683 0.941 0.676 CB 1.773 186 residues pruned to eliminate duplicates Z: 142 129.924 2.578 1.025 0.712 0.979 0.738 CB 1.767 142 residues pruned to eliminate duplicates Z: 178 134.734 2.545 0.982 0.666 0.960 0.729 CB 1.793 178 residues pruned to eliminate duplicates Z: 159 134.417 2.546 1.077 0.701 0.956 0.658 CB 1.762 159 residues pruned to eliminate duplicates Z: 139 112.520 2.536 0.997 0.603 0.949 0.638 CB 1.806 139 residues pruned to eliminate duplicates Z: 186 138.407 2.537 1.046 0.691 0.941 0.643 CB 1.750 186 residues pruned to eliminate duplicates Z: 67 89.739 2.595 1.110 0.634 0.985 0.606 CB 1.806 67 residues pruned to eliminate duplicates Z: 57 86.150 2.627 1.050 0.682 0.982 0.714 CB 1.842 57 residues pruned to eliminate duplicates Z: 73 79.884 2.530 1.018 0.625 0.944 0.667 CB 1.735 73 residues pruned to eliminate duplicates Z: 56 86.023 2.629 1.074 0.673 0.982 0.691 CB 1.847 56 residues pruned to eliminate duplicates Z: 129 135.556 2.596 1.177 0.736 0.961 0.758 CB 1.785 129 residues pruned to eliminate duplicates Z: 144 130.079 2.547 1.105 0.705 0.965 0.706 CB 1.744 144 residues pruned to eliminate duplicates Z: 135 127.232 2.565 1.032 0.722 0.963 0.761 CB 1.792 135 residues pruned to eliminate duplicates Z: 149 125.280 2.568 1.008 0.657 0.959 0.655 CB 1.799 149 residues pruned to eliminate duplicates Z: 142 124.172 2.549 1.035 0.698 0.965 0.709 CB 1.744 142 residues pruned to eliminate duplicates Z: 79 92.292 2.560 1.133 0.660 0.949 0.654 CB 1.740 79 residues pruned to eliminate duplicates Z: 171 151.061 2.587 1.121 0.726 0.959 0.671 CB 1.796 171 residues pruned to eliminate duplicates Z: 143 131.118 2.553 1.127 0.699 0.965 0.690 CB 1.752 143 residues pruned to eliminate duplicates Z: 184 142.072 2.564 1.016 0.702 0.945 0.623 CB 1.789 184 residues pruned to eliminate duplicates Z: 139 124.821 2.544 1.099 0.706 0.949 0.667 CB 1.738 139 residues pruned to eliminate duplicates Z: 185 139.105 2.554 1.036 0.702 0.935 0.625 CB 1.755 185 residues pruned to eliminate duplicates Z: 182 148.624 2.566 1.126 0.679 0.956 0.613 CB 1.798 182 residues pruned to eliminate duplicates Z: 185 143.440 2.559 1.069 0.704 0.940 0.647 CB 1.763 185 residues pruned to eliminate duplicates Z: 117 118.780 2.565 1.080 0.718 0.966 0.741 CB 1.758 117 residues pruned to eliminate duplicates Z: 141 136.828 2.576 1.185 0.708 0.971 0.693 CB 1.751 141 residues pruned to eliminate duplicates Z: 118 121.895 2.561 1.145 0.703 0.966 0.692 CB 1.766 118 residues pruned to eliminate duplicates Z: 83 92.723 2.550 1.125 0.665 0.939 0.671 CB 1.727 83 residues pruned to eliminate duplicates Z: 156 127.550 2.529 1.063 0.706 0.935 0.619 CB 1.740 156 residues pruned to eliminate duplicates Z: 185 145.109 2.564 1.123 0.704 0.924 0.603 CB 1.767 185 residues pruned to eliminate duplicates Z: 147 135.048 2.543 1.236 0.686 0.959 0.658 CB 1.729 147 residues pruned to eliminate duplicates Z: 184 152.368 2.576 1.134 0.701 0.956 0.596 CB 1.784 184 residues pruned to eliminate duplicates Z: 142 136.950 2.573 1.208 0.707 0.965 0.638 CB 1.745 142 residues pruned to eliminate duplicates Z: 183 148.923 2.551 1.151 0.687 0.967 0.648 CB 1.753 183 residues pruned to eliminate duplicates Z: 183 136.591 2.550 1.072 0.677 0.934 0.582 CB 1.743 146 residues pruned to eliminate duplicates Z: 28 54.310 2.478 1.047 0.903 0.963 0.556 CB 1.525 28 residues pruned to eliminate duplicates Z: 156 142.948 2.577 1.194 0.711 0.955 0.613 CB 1.756 156 residues pruned to eliminate duplicates Z: 144 135.391 2.543 1.273 0.698 0.944 0.636 CB 1.732 144 residues pruned to eliminate duplicates Z: 231 163.932 2.531 1.123 0.713 0.952 0.626 CB 1.742 231 residues pruned to eliminate duplicates Z: 48 71.385 2.471 1.083 0.719 0.936 0.681 CB 1.772 48 residues pruned to eliminate duplicates Z: 185 148.286 2.560 1.113 0.684 0.962 0.641 CB 1.776 185 residues pruned to eliminate duplicates Z: 143 138.212 2.546 1.267 0.709 0.965 0.641 CB 1.722 143 residues pruned to eliminate duplicates Z: 145 135.799 2.535 1.213 0.691 0.972 0.604 CB 1.742 145 residues pruned to eliminate duplicates Z: 82 111.600 2.545 1.280 0.777 0.975 0.630 CB 1.716 82 residues pruned to eliminate duplicates Z: 146 134.651 2.554 1.208 0.715 0.938 0.655 CB 1.740 146 residues pruned to eliminate duplicates Z: 48 78.071 2.456 1.264 0.711 0.957 0.723 CB 1.767 48 residues pruned to eliminate duplicates Z: 133 132.274 2.573 1.208 0.714 0.962 0.629 CB 1.735 133 residues pruned to eliminate duplicates Z: 158 140.766 2.543 1.190 0.704 0.962 0.522 CB 1.743 158 residues pruned to eliminate duplicates Z: 143 137.878 2.557 1.229 0.709 0.972 0.577 CB 1.728 143 residues pruned to eliminate duplicates Z: 132 139.544 2.584 1.303 0.723 0.962 0.573 CB 1.743 132 residues pruned to eliminate duplicates Z: 228 162.323 2.519 1.192 0.701 0.943 0.581 CB 1.724 228 residues pruned to eliminate duplicates Z: 37 52.996 2.379 1.131 0.760 0.944 0.778 CB 1.464 37 residues pruned to eliminate duplicates Z: 36 47.439 2.378 0.916 0.743 0.943 0.714 CB 1.501 36 residues pruned to eliminate duplicates Z: 48 74.234 2.386 1.065 0.789 1.000 0.681 CB 1.704 48 residues pruned to eliminate duplicates Z: 232 171.170 2.528 1.184 0.716 0.961 0.628 CB 1.745 232 residues pruned to eliminate duplicates Z: 98 109.438 2.528 1.136 0.722 0.948 0.629 CB 1.775 98 residues pruned to eliminate duplicates Z: 82 95.936 2.490 1.015 0.740 0.963 0.654 CB 1.779 82 residues pruned to eliminate duplicates Z: 94 96.823 2.438 1.103 0.699 0.946 0.677 CB 1.725 94 residues pruned to eliminate duplicates Z: 36 51.796 2.368 1.062 0.748 0.943 0.743 CB 1.524 36 residues pruned to eliminate duplicates Z: 46 72.839 2.414 1.079 0.821 0.956 0.711 CB 1.714 46 residues pruned to eliminate duplicates Z: 93 94.192 2.441 0.974 0.705 0.957 0.609 CB 1.768 86 residues pruned to eliminate duplicates Z: 20 31.961 2.211 0.998 0.773 0.895 0.632 CB 1.457 20 residues pruned to eliminate duplicates Z: 46 77.734 2.416 1.187 0.818 0.978 0.756 CB 1.702 46 residues pruned to eliminate duplicates Z: 91 96.827 2.477 1.078 0.716 0.933 0.644 CB 1.747 91 residues pruned to eliminate duplicates Z: 48 72.526 2.344 1.080 0.817 0.979 0.638 CB 1.683 48 residues pruned to eliminate duplicates Z: 49 60.859 2.276 1.042 0.742 0.938 0.729 CB 1.624 49 residues pruned to eliminate duplicates Z: 56 66.265 2.447 0.992 0.697 0.964 0.564 CB 1.589 56 residues pruned to eliminate duplicates Z: 13 29.637 2.357 1.034 0.622 0.917 0.667 CA 1.734 13 residues pruned to eliminate duplicates Z: 231 173.068 2.532 1.233 0.715 0.965 0.596 CB 1.722 92 residues pruned to eliminate duplicates Z: 26 76.882 2.402 1.633 0.898 0.960 0.520 CB 1.811 26 residues pruned to eliminate duplicates Z: 233 171.527 2.513 1.221 0.712 0.970 0.552 CB 1.716 233 residues pruned to eliminate duplicates Z: 229 171.302 2.531 1.234 0.700 0.961 0.588 CB 1.742 229 residues pruned to eliminate duplicates Z: 47 79.377 2.380 1.335 0.799 0.978 0.543 CB 1.658 47 residues pruned to eliminate duplicates Z: 47 76.302 2.414 1.319 0.773 0.957 0.478 CB 1.650 47 residues pruned to eliminate duplicates Z: 82 97.383 2.476 1.148 0.721 0.963 0.593 CB 1.730 82 residues pruned to eliminate duplicates Z: 82 103.807 2.474 1.263 0.735 0.963 0.617 CB 1.733 82 residues pruned to eliminate duplicates Z: 74 96.125 2.504 1.167 0.731 0.973 0.630 CB 1.732 74 residues pruned to eliminate duplicates Z: 45 63.691 2.509 0.926 0.677 0.955 0.614 CB 1.769 45 residues pruned to eliminate duplicates Z: 180 147.297 2.505 1.195 0.709 0.972 0.587 CB 1.704 180 residues pruned to eliminate duplicates Z: 21 25.421 2.347 0.748 0.562 0.800 0.450 CB 1.631 21 residues pruned to eliminate duplicates Z: 117 107.850 2.501 1.037 0.692 0.966 0.586 CB 1.708 117 residues pruned to eliminate duplicates Z: 170 148.412 2.544 1.191 0.714 0.976 0.580 CB 1.729 170 residues pruned to eliminate duplicates Z: 182 141.647 2.494 1.154 0.687 0.961 0.580 CB 1.717 182 residues pruned to eliminate duplicates Z: 91 98.066 2.520 1.049 0.732 0.933 0.711 CB 1.740 91 residues pruned to eliminate duplicates Z: 183 151.220 2.513 1.223 0.703 0.967 0.582 CB 1.725 183 residues pruned to eliminate duplicates Z: 186 150.848 2.499 1.222 0.704 0.968 0.632 CB 1.714 186 residues pruned to eliminate duplicates Z: 135 126.640 2.517 1.185 0.733 0.948 0.627 CB 1.702 135 residues pruned to eliminate duplicates Z: 182 146.490 2.506 1.193 0.686 0.972 0.597 CB 1.717 182 residues pruned to eliminate duplicates Z: 230 159.019 2.504 1.065 0.718 0.974 0.703 CB 1.713 213 residues pruned to eliminate duplicates Z: 11 17.075 2.238 0.778 0.521 0.900 0.400 CA 1.476 11 residues pruned to eliminate duplicates Z: 179 145.403 2.510 1.194 0.699 0.966 0.556 CB 1.708 179 residues pruned to eliminate duplicates Z: 181 141.063 2.507 1.090 0.696 0.956 0.678 CB 1.756 181 residues pruned to eliminate duplicates Z: 56 56.794 2.402 0.854 0.604 0.927 0.564 CB 1.679 56 residues pruned to eliminate duplicates Z: 13 13.886 2.062 0.668 0.387 0.917 0.500 CB 1.432 13 residues pruned to eliminate duplicates Z: 82 70.561 2.429 0.967 0.558 0.938 0.605 CB 1.653 82 residues pruned to eliminate duplicates Z: 181 144.196 2.517 1.093 0.698 0.978 0.689 CB 1.741 171 residues pruned to eliminate duplicates Z: 10 9.274 1.886 0.318 0.518 0.889 0.667 CB 1.374 10 residues pruned to eliminate duplicates Z: 184 135.988 2.503 1.025 0.702 0.962 0.683 CB 1.715 184 residues pruned to eliminate duplicates Z: 14 14.524 1.949 0.599 0.471 1.000 0.615 CB 1.331 14 residues pruned to eliminate duplicates Z: 56 59.007 2.418 0.854 0.599 0.945 0.618 CB 1.708 56 residues pruned to eliminate duplicates Z: 181 143.026 2.527 1.100 0.692 0.967 0.678 CB 1.743 181 residues pruned to eliminate duplicates Z: 179 130.431 2.499 1.046 0.674 0.938 0.618 CB 1.736 179 residues pruned to eliminate duplicates Z: 158 122.957 2.500 1.009 0.688 0.930 0.720 CB 1.769 158 residues pruned to eliminate duplicates Z: 145 122.766 2.475 1.055 0.691 0.979 0.701 CB 1.724 145 residues pruned to eliminate duplicates Z: 182 131.802 2.468 1.055 0.684 0.950 0.619 CB 1.717 182 residues pruned to eliminate duplicates Z: 184 133.296 2.496 1.004 0.711 0.945 0.661 CB 1.721 184 residues pruned to eliminate duplicates Z: 121 102.708 2.498 0.951 0.661 0.967 0.642 CB 1.713 91 residues pruned to eliminate duplicates Z: 9 7.617 1.845 0.618 0.421 0.875 0.625 CA 1.119 9 residues pruned to eliminate duplicates Z: 172 137.497 2.526 1.053 0.717 0.953 0.708 CB 1.748 172 residues pruned to eliminate duplicates Z: 185 134.759 2.488 1.020 0.697 0.962 0.696 CB 1.717 81 residues pruned to eliminate duplicates Z: 6 8.657 1.996 0.455 0.461 1.000 0.600 CA 1.387 6 residues pruned to eliminate duplicates Z: 181 135.996 2.502 1.064 0.677 0.961 0.700 CB 1.735 181 residues pruned to eliminate duplicates Z: 217 155.952 2.519 1.054 0.741 0.954 0.676 CB 1.732 171 residues pruned to eliminate duplicates Z: 6 7.470 2.061 0.386 0.385 1.000 0.400 CA 1.322 Z: 25 51.100 2.451 1.060 0.744 0.958 0.667 CB 1.734 31 residues pruned to eliminate duplicates Z: 162 124.566 2.499 0.973 0.697 0.938 0.714 CB 1.773 162 residues pruned to eliminate duplicates Z: 180 140.763 2.490 1.082 0.701 0.978 0.721 CB 1.728 180 residues pruned to eliminate duplicates Z: 107 113.563 2.519 1.020 0.756 0.981 0.821 CB 1.760 107 residues pruned to eliminate duplicates Z: 172 137.136 2.526 1.093 0.733 0.930 0.678 CB 1.730 172 residues pruned to eliminate duplicates Z: 72 69.005 2.442 0.995 0.607 0.915 0.746 CB 1.658 72 residues pruned to eliminate duplicates Z: 106 113.742 2.548 1.063 0.751 0.962 0.810 CB 1.755 106 residues pruned to eliminate duplicates Z: 171 143.138 2.537 1.095 0.743 0.959 0.653 CB 1.734 171 residues pruned to eliminate duplicates Z: 182 142.823 2.512 1.057 0.701 0.978 0.702 CB 1.750 182 residues pruned to eliminate duplicates Z: 181 141.264 2.512 1.036 0.702 0.972 0.722 CB 1.762 181 residues pruned to eliminate duplicates Z: 180 133.305 2.503 1.024 0.673 0.961 0.687 CB 1.746 180 residues pruned to eliminate duplicates Z: 181 142.210 2.502 1.066 0.691 0.978 0.678 CB 1.761 73 residues pruned to eliminate duplicates Z: 22 58.807 2.478 1.106 0.892 1.000 0.762 CB 1.766 22 residues pruned to eliminate duplicates Z: 172 147.236 2.537 1.133 0.738 0.965 0.702 CB 1.742 172 residues pruned to eliminate duplicates Z: 180 132.136 2.498 0.964 0.689 0.955 0.693 CB 1.771 180 residues pruned to eliminate duplicates Z: 170 143.547 2.546 1.040 0.735 0.976 0.686 CB 1.762 170 residues pruned to eliminate duplicates Z: 60 81.390 2.576 1.042 0.689 0.983 0.712 CB 1.724 60 residues pruned to eliminate duplicates Z: 184 134.053 2.489 1.046 0.707 0.940 0.694 CB 1.715 184 residues pruned to eliminate duplicates Z: 107 116.001 2.521 1.094 0.748 0.981 0.783 CB 1.743 107 residues pruned to eliminate duplicates Z: 230 153.007 2.491 1.083 0.728 0.930 0.672 CB 1.707 230 residues pruned to eliminate duplicates Z: 184 132.706 2.497 1.033 0.712 0.934 0.607 CB 1.707 184 residues pruned to eliminate duplicates Z: 183 135.798 2.485 1.068 0.685 0.967 0.676 CB 1.710 183 residues pruned to eliminate duplicates Z: 186 137.853 2.497 1.086 0.691 0.935 0.627 CB 1.747 186 residues pruned to eliminate duplicates Z: 183 137.564 2.508 1.073 0.713 0.945 0.637 CB 1.711 183 residues pruned to eliminate duplicates Z: 128 130.532 2.541 1.142 0.744 0.976 0.685 CB 1.752 128 residues pruned to eliminate duplicates Z: 183 136.531 2.509 1.068 0.705 0.951 0.659 CB 1.703 183 residues pruned to eliminate duplicates Z: 184 142.026 2.510 1.063 0.714 0.962 0.661 CB 1.737 184 residues pruned to eliminate duplicates Z: 108 112.610 2.507 1.071 0.737 0.972 0.720 CB 1.744 108 residues pruned to eliminate duplicates Z: 118 115.963 2.480 1.115 0.713 0.966 0.684 CB 1.745 118 residues pruned to eliminate duplicates Z: 184 138.330 2.506 1.063 0.699 0.951 0.661 CB 1.734 184 residues pruned to eliminate duplicates Z: 181 138.983 2.511 1.040 0.699 0.961 0.717 CB 1.755 181 residues pruned to eliminate duplicates Z: 179 133.508 2.490 1.037 0.684 0.961 0.612 CB 1.734 158 residues pruned to eliminate duplicates Z: 32 58.104 2.474 0.880 0.884 1.000 0.806 CB 1.622 32 residues pruned to eliminate duplicates Z: 65 92.771 2.593 1.205 0.724 0.969 0.688 CB 1.711 65 residues pruned to eliminate duplicates Z: 163 149.594 2.540 1.158 0.754 0.981 0.642 CB 1.742 163 residues pruned to eliminate duplicates Z: 182 139.654 2.501 1.098 0.710 0.967 0.663 CB 1.691 178 residues pruned to eliminate duplicates Z: 30 60.432 2.509 0.919 0.940 0.966 0.690 CB 1.676 30 residues pruned to eliminate duplicates Z: 109 107.526 2.527 1.033 0.722 0.944 0.704 CB 1.746 109 residues pruned to eliminate duplicates Z: 156 120.364 2.460 1.061 0.693 0.942 0.613 CB 1.697 156 residues pruned to eliminate duplicates Z: 184 144.684 2.513 1.147 0.713 0.951 0.623 CB 1.719 184 residues pruned to eliminate duplicates Z: 102 104.366 2.489 1.158 0.687 0.970 0.644 CB 1.679 102 residues pruned to eliminate duplicates Z: 183 133.761 2.499 1.031 0.695 0.951 0.648 CB 1.719 183 residues pruned to eliminate duplicates Z: 131 133.680 2.533 1.215 0.734 0.969 0.669 CB 1.748 131 residues pruned to eliminate duplicates Z: 160 123.946 2.489 1.113 0.691 0.925 0.635 CB 1.698 160 residues pruned to eliminate duplicates Z: 121 112.855 2.472 1.119 0.693 0.967 0.658 CB 1.704 121 residues pruned to eliminate duplicates Z: 183 145.185 2.511 1.191 0.712 0.945 0.560 CB 1.708 183 residues pruned to eliminate duplicates Z: 142 126.797 2.498 1.174 0.703 0.957 0.624 CB 1.707 142 residues pruned to eliminate duplicates Z: 102 101.145 2.487 1.110 0.703 0.950 0.624 CB 1.678 102 residues pruned to eliminate duplicates Z: 171 143.851 2.545 1.163 0.730 0.953 0.612 CB 1.710 171 residues pruned to eliminate duplicates Z: 165 131.386 2.490 1.095 0.682 0.976 0.677 CB 1.706 165 residues pruned to eliminate duplicates Z: 141 133.101 2.516 1.220 0.709 0.979 0.671 CB 1.703 141 residues pruned to eliminate duplicates Z: 155 133.951 2.516 1.161 0.715 0.961 0.584 CB 1.700 155 residues pruned to eliminate duplicates Z: 91 119.882 2.550 1.298 0.758 1.000 0.689 CB 1.714 91 residues pruned to eliminate duplicates Z: 63 79.995 2.416 1.174 0.691 0.935 0.661 CB 1.736 63 residues pruned to eliminate duplicates Z: 107 125.319 2.529 1.292 0.741 0.981 0.632 CB 1.725 107 residues pruned to eliminate duplicates Z: 173 148.439 2.533 1.192 0.728 0.959 0.645 CB 1.730 173 residues pruned to eliminate duplicates Z: 90 113.710 2.546 1.297 0.739 0.978 0.618 CB 1.701 90 residues pruned to eliminate duplicates Z: 120 114.829 2.493 1.151 0.695 0.966 0.571 CB 1.699 120 residues pruned to eliminate duplicates Z: 107 125.267 2.537 1.237 0.752 0.981 0.642 CB 1.745 107 residues pruned to eliminate duplicates Z: 92 119.653 2.572 1.272 0.748 0.989 0.604 CB 1.739 92 residues pruned to eliminate duplicates Z: 135 130.081 2.529 1.192 0.724 0.955 0.619 CB 1.734 135 residues pruned to eliminate duplicates Z: 118 121.490 2.501 1.259 0.707 0.966 0.624 CB 1.705 118 residues pruned to eliminate duplicates Z: 184 147.442 2.516 1.170 0.712 0.962 0.612 CB 1.713 184 residues pruned to eliminate duplicates Z: 172 140.173 2.529 1.106 0.735 0.953 0.608 CB 1.710 172 residues pruned to eliminate duplicates Z: 180 148.062 2.523 1.210 0.698 0.961 0.609 CB 1.724 180 residues pruned to eliminate duplicates Z: 48 72.806 2.394 1.121 0.720 0.957 0.638 CB 1.790 48 residues pruned to eliminate duplicates Z: 91 122.675 2.567 1.377 0.747 0.989 0.644 CB 1.718 91 residues pruned to eliminate duplicates Z: 129 115.495 2.460 1.169 0.709 0.945 0.531 CB 1.673 129 residues pruned to eliminate duplicates Z: 172 150.115 2.535 1.241 0.740 0.959 0.620 CB 1.699 172 residues pruned to eliminate duplicates Z: 183 143.774 2.512 1.170 0.711 0.940 0.648 CB 1.718 183 residues pruned to eliminate duplicates Z: 47 69.867 2.430 1.167 0.732 0.913 0.783 CB 1.738 47 residues pruned to eliminate duplicates Z: 159 130.486 2.482 1.101 0.693 0.975 0.601 CB 1.712 159 residues pruned to eliminate duplicates Z: 106 128.893 2.543 1.301 0.753 0.990 0.638 CB 1.731 106 residues pruned to eliminate duplicates Z: 109 114.235 2.491 1.260 0.734 0.935 0.583 CB 1.692 109 residues pruned to eliminate duplicates Z: 185 140.182 2.501 1.180 0.697 0.935 0.587 CB 1.694 185 residues pruned to eliminate duplicates Z: 130 131.565 2.531 1.261 0.739 0.961 0.566 CB 1.700 130 residues pruned to eliminate duplicates Z: 181 153.243 2.517 1.209 0.705 0.983 0.650 CB 1.734 181 residues pruned to eliminate duplicates Z: 134 134.960 2.527 1.289 0.731 0.970 0.594 CB 1.694 134 residues pruned to eliminate duplicates Z: 163 134.611 2.485 1.188 0.692 0.951 0.580 CB 1.716 163 residues pruned to eliminate duplicates Z: 48 76.869 2.391 1.248 0.734 0.957 0.660 CB 1.766 48 residues pruned to eliminate duplicates Z: 229 156.179 2.485 1.153 0.705 0.952 0.561 CB 1.686 229 residues pruned to eliminate duplicates Z: 181 145.984 2.504 1.182 0.707 0.956 0.556 CB 1.726 181 residues pruned to eliminate duplicates Z: 187 140.833 2.493 1.200 0.689 0.952 0.581 CB 1.664 187 residues pruned to eliminate duplicates Z: 181 142.337 2.497 1.167 0.676 0.967 0.589 CB 1.725 181 residues pruned to eliminate duplicates Z: 45 79.624 2.455 1.141 0.754 1.000 0.705 CB 1.821 45 residues pruned to eliminate duplicates Z: 172 137.421 2.531 1.146 0.710 0.924 0.573 CB 1.731 172 residues pruned to eliminate duplicates Z: 185 142.117 2.481 1.145 0.694 0.957 0.516 CB 1.724 185 residues pruned to eliminate duplicates Z: 184 145.897 2.515 1.155 0.715 0.956 0.628 CB 1.712 184 residues pruned to eliminate duplicates Z: 172 138.127 2.516 1.140 0.737 0.947 0.573 CB 1.673 172 residues pruned to eliminate duplicates Z: 147 130.625 2.480 1.261 0.683 0.959 0.555 CB 1.699 147 residues pruned to eliminate duplicates Z: 230 164.116 2.491 1.176 0.719 0.961 0.581 CB 1.709 230 residues pruned to eliminate duplicates Z: 148 131.643 2.513 1.196 0.733 0.952 0.544 CB 1.675 148 residues pruned to eliminate duplicates Z: 149 127.121 2.469 1.242 0.688 0.953 0.507 CB 1.668 149 residues pruned to eliminate duplicates Z: 130 136.532 2.540 1.269 0.748 0.969 0.667 CB 1.725 130 residues pruned to eliminate duplicates Z: 116 108.951 2.515 1.063 0.703 0.939 0.635 CB 1.734 118 residues pruned to eliminate duplicates Z: 6 14.524 2.143 1.293 0.600 1.000 0.400 CB 1.202 Z: 8 15.757 2.276 0.841 0.477 1.000 0.286 CB 1.455 6 residues pruned to eliminate duplicates Z: 21 52.454 2.434 1.116 0.850 1.000 0.800 CB 1.686 21 residues pruned to eliminate duplicates Z: 184 149.910 2.510 1.190 0.714 0.973 0.536 CB 1.707 192 residues pruned to eliminate duplicates Z: 183 146.938 2.484 1.185 0.701 0.984 0.610 CB 1.700 183 residues pruned to eliminate duplicates Z: 185 138.612 2.471 1.168 0.670 0.957 0.571 CB 1.704 185 residues pruned to eliminate duplicates Z: 78 100.619 2.488 1.266 0.780 0.961 0.623 CB 1.654 78 residues pruned to eliminate duplicates Z: 183 150.720 2.520 1.189 0.720 0.967 0.577 CB 1.716 183 residues pruned to eliminate duplicates Z: 185 140.686 2.488 1.155 0.716 0.946 0.576 CB 1.682 185 residues pruned to eliminate duplicates Z: 56 78.291 2.471 1.073 0.755 0.945 0.655 CB 1.736 56 residues pruned to eliminate duplicates Z: 184 138.100 2.490 1.152 0.697 0.951 0.617 CB 1.675 184 residues pruned to eliminate duplicates Z: 131 124.948 2.515 1.196 0.729 0.954 0.515 CB 1.692 131 residues pruned to eliminate duplicates Z: 123 126.505 2.545 1.231 0.732 0.959 0.590 CB 1.707 123 residues pruned to eliminate duplicates Z: 178 131.125 2.509 1.102 0.664 0.955 0.582 CB 1.681 178 residues pruned to eliminate duplicates Z: 183 131.279 2.485 1.126 0.677 0.934 0.582 CB 1.675 183 residues pruned to eliminate duplicates Z: 168 137.282 2.531 1.128 0.705 0.952 0.551 CB 1.720 168 residues pruned to eliminate duplicates Z: 128 120.939 2.524 1.180 0.714 0.953 0.465 CB 1.687 128 residues pruned to eliminate duplicates Z: 45 51.773 2.487 0.950 0.654 0.841 0.591 CB 1.658 45 residues pruned to eliminate duplicates Z: 184 142.168 2.490 1.177 0.694 0.956 0.628 CB 1.698 184 residues pruned to eliminate duplicates Z: 172 151.036 2.538 1.243 0.729 0.959 0.585 CB 1.721 172 residues pruned to eliminate duplicates Z: 92 93.346 2.473 1.072 0.716 0.934 0.626 CB 1.681 89 residues pruned to eliminate duplicates Z: 28 48.290 2.440 0.865 0.837 0.852 0.556 CB 1.793 28 residues pruned to eliminate duplicates Z: 66 62.318 2.416 1.011 0.539 0.908 0.538 CB 1.687 66 residues pruned to eliminate duplicates Z: 172 147.013 2.536 1.191 0.730 0.959 0.655 CB 1.714 67 residues pruned to eliminate duplicates Z: 27 53.975 2.492 1.022 0.849 0.885 0.615 CB 1.761 27 residues pruned to eliminate duplicates Z: 217 171.319 2.537 1.214 0.739 0.968 0.634 CB 1.731 217 residues pruned to eliminate duplicates Z: 14 28.376 2.323 0.504 0.850 0.923 0.615 CB 1.807 Z: 29 51.757 2.385 0.932 0.799 0.929 0.536 CB 1.761 43 residues pruned to eliminate duplicates Z: 74 85.786 2.486 1.068 0.648 0.986 0.685 CB 1.725 74 residues pruned to eliminate duplicates Z: 46 62.915 2.491 1.042 0.677 0.933 0.578 CB 1.679 46 residues pruned to eliminate duplicates Z: 50 52.031 2.443 0.897 0.633 0.837 0.531 CB 1.691 50 residues pruned to eliminate duplicates Z: 183 150.599 2.521 1.145 0.708 0.984 0.621 CB 1.737 183 residues pruned to eliminate duplicates Z: 171 151.134 2.551 1.206 0.744 0.953 0.606 CB 1.738 171 residues pruned to eliminate duplicates Z: 228 160.254 2.499 1.149 0.707 0.947 0.573 CB 1.732 228 residues pruned to eliminate duplicates Z: 206 148.472 2.495 1.167 0.686 0.956 0.605 CB 1.691 206 residues pruned to eliminate duplicates Z: 227 158.895 2.501 1.183 0.694 0.951 0.602 CB 1.704 227 residues pruned to eliminate duplicates Z: 46 64.157 2.514 1.066 0.679 0.889 0.689 CB 1.757 46 residues pruned to eliminate duplicates Z: 186 142.425 2.483 1.141 0.696 0.968 0.649 CB 1.702 186 residues pruned to eliminate duplicates Z: 46 63.046 2.466 0.985 0.658 0.956 0.556 CB 1.735 46 residues pruned to eliminate duplicates Z: 68 72.748 2.488 0.946 0.611 0.940 0.612 CB 1.757 68 residues pruned to eliminate duplicates Z: 35 63.204 2.515 1.058 0.769 0.971 0.706 CB 1.700 35 residues pruned to eliminate duplicates Z: 219 168.297 2.525 1.171 0.732 0.982 0.651 CB 1.719 219 residues pruned to eliminate duplicates Z: 228 155.116 2.478 1.205 0.692 0.930 0.559 CB 1.701 228 residues pruned to eliminate duplicates Z: 48 70.694 2.482 1.033 0.768 0.957 0.723 CB 1.684 48 residues pruned to eliminate duplicates Z: 19 39.029 2.278 0.836 0.858 1.000 0.778 CB 1.620 19 residues pruned to eliminate duplicates Z: 35 58.935 2.514 0.956 0.778 0.941 0.824 CB 1.709 35 residues pruned to eliminate duplicates Z: 49 73.021 2.461 1.075 0.762 0.979 0.771 CB 1.670 49 residues pruned to eliminate duplicates Z: 230 166.077 2.510 1.109 0.717 0.983 0.633 CB 1.734 230 residues pruned to eliminate duplicates Z: 218 170.440 2.530 1.181 0.742 0.972 0.664 CB 1.736 218 residues pruned to eliminate duplicates Z: 47 76.922 2.477 1.056 0.796 0.978 0.739 CB 1.756 47 residues pruned to eliminate duplicates Z: 184 151.270 2.511 1.186 0.731 0.962 0.667 CB 1.721 184 residues pruned to eliminate duplicates Z: 91 104.697 2.513 1.156 0.710 0.956 0.656 CB 1.761 91 residues pruned to eliminate duplicates Z: 91 96.752 2.492 0.987 0.723 0.967 0.689 CB 1.741 91 residues pruned to eliminate duplicates Z: 230 162.291 2.496 1.163 0.709 0.965 0.646 CB 1.702 230 residues pruned to eliminate duplicates Z: 91 96.062 2.494 0.986 0.730 0.956 0.711 CB 1.739 91 residues pruned to eliminate duplicates Z: 90 101.434 2.513 0.994 0.727 0.978 0.697 CB 1.789 90 residues pruned to eliminate duplicates Z: 177 146.057 2.512 1.120 0.756 0.960 0.636 CB 1.714 177 residues pruned to eliminate duplicates Z: 215 166.279 2.528 1.210 0.716 0.963 0.650 CB 1.738 215 residues pruned to eliminate duplicates Z: 48 76.457 2.481 1.171 0.754 0.979 0.681 CB 1.686 48 residues pruned to eliminate duplicates Z: 26 60.941 2.504 0.884 0.917 0.960 0.880 CB 1.899 26 residues pruned to eliminate duplicates Z: 47 81.713 2.489 1.154 0.785 0.978 0.804 CB 1.787 47 residues pruned to eliminate duplicates Z: 46 82.771 2.510 1.178 0.795 0.956 0.778 CB 1.823 46 residues pruned to eliminate duplicates Z: 92 98.896 2.491 1.066 0.714 0.956 0.670 CB 1.736 92 residues pruned to eliminate duplicates Z: 47 75.694 2.473 1.070 0.792 0.957 0.761 CB 1.764 47 residues pruned to eliminate duplicates Z: 37 66.447 2.516 1.144 0.773 0.972 0.861 CB 1.659 37 residues pruned to eliminate duplicates Z: 173 145.764 2.503 1.181 0.737 0.959 0.570 CB 1.716 173 residues pruned to eliminate duplicates Z: 217 173.289 2.531 1.211 0.739 0.977 0.685 CB 1.741 217 residues pruned to eliminate duplicates Z: 160 148.817 2.517 1.160 0.755 0.981 0.667 CB 1.763 160 residues pruned to eliminate duplicates Z: 48 74.018 2.453 1.102 0.780 0.979 0.766 CB 1.671 48 residues pruned to eliminate duplicates Z: 206 164.050 2.539 1.193 0.730 0.976 0.634 CB 1.714 206 residues pruned to eliminate duplicates Z: 36 61.884 2.505 1.121 0.750 0.971 0.686 CB 1.622 36 residues pruned to eliminate duplicates Z: 49 74.462 2.434 1.179 0.742 0.979 0.771 CB 1.666 49 residues pruned to eliminate duplicates Z: 48 74.796 2.438 1.192 0.769 0.979 0.787 CB 1.644 48 residues pruned to eliminate duplicates Z: 48 76.645 2.457 1.237 0.765 0.957 0.617 CB 1.679 48 residues pruned to eliminate duplicates Z: 231 170.044 2.501 1.196 0.720 0.974 0.635 CB 1.718 217 residues pruned to eliminate duplicates Z: 26 70.007 2.456 1.294 0.926 0.960 0.600 CB 1.815 26 residues pruned to eliminate duplicates Z: 230 168.711 2.510 1.169 0.721 0.969 0.620 CB 1.730 230 residues pruned to eliminate duplicates Z: 218 170.992 2.527 1.259 0.724 0.977 0.567 CB 1.700 218 residues pruned to eliminate duplicates Z: 216 162.403 2.517 1.200 0.706 0.953 0.591 CB 1.739 216 residues pruned to eliminate duplicates Z: 48 78.925 2.465 1.296 0.773 0.957 0.511 CB 1.670 48 residues pruned to eliminate duplicates Z: 27 69.623 2.408 1.480 0.903 0.923 0.538 CB 1.766 27 residues pruned to eliminate duplicates Z: 214 173.350 2.533 1.230 0.729 0.986 0.606 CB 1.736 214 residues pruned to eliminate duplicates 453 residues left after pruning, divided into chains as follows: A: 181 B: 44 C: 180 D: 48 CC for partial structure against native data = 45.21 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.810, Connect. = 0.767 for dens.mod. cycle 1 = 0.300, Contrast = 0.937, Connect. = 0.799 for dens.mod. cycle 2 = 0.300, Contrast = 1.144, Connect. = 0.823 for dens.mod. cycle 3 = 0.300, Contrast = 1.192, Connect. = 0.826 for dens.mod. cycle 4 = 0.300, Contrast = 1.230, Connect. = 0.828 for dens.mod. cycle 5 = 0.300, Contrast = 1.249, Connect. = 0.830 for dens.mod. cycle 6 = 0.300, Contrast = 1.265, Connect. = 0.831 for dens.mod. cycle 7 = 0.300, Contrast = 1.272, Connect. = 0.832 for dens.mod. cycle 8 = 0.300, Contrast = 1.279, Connect. = 0.833 for dens.mod. cycle 9 = 0.300, Contrast = 1.281, Connect. = 0.834 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3105 peaks > 0.5 sigma used to seed fragment search Space for about 1039 unique residues taking solvent into account 619 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 23 33.530 2.276 1.080 0.798 0.773 0.682 CB 1.505 B: 10 28.015 2.492 0.655 0.911 0.889 0.889 CB 1.805 C: 22 59.169 2.511 1.153 0.865 0.952 0.762 CA 1.837 D: 12 28.091 2.363 0.682 0.814 1.000 0.727 CB 1.622 E: 26 72.453 2.470 1.387 0.924 0.920 0.480 CB 1.876 F: 26 73.739 2.531 1.352 0.913 0.920 0.600 CA 1.905 26 residues pruned to eliminate duplicates G: 22 61.410 2.556 1.101 0.860 1.000 0.667 CA 1.834 H: 27 68.001 2.542 1.294 0.948 0.962 0.692 CB 1.642 I: 27 63.824 2.447 1.024 0.874 0.962 0.731 CA 1.913 27 residues pruned to eliminate duplicates J: 22 59.031 2.469 1.177 0.851 1.000 0.667 CA 1.774 22 residues pruned to eliminate duplicates K: 21 53.724 2.555 0.977 0.883 0.950 0.650 CB 1.811 21 residues pruned to eliminate duplicates L: 18 58.475 2.546 1.361 0.869 0.882 0.706 CB 1.953 M: 25 81.393 2.593 1.209 0.945 1.000 0.667 CA 2.008 18 residues pruned to eliminate duplicates N: 29 60.247 2.381 0.965 0.854 0.964 0.786 CB 1.863 O: 31 63.909 2.529 0.965 0.947 0.967 0.900 CB 1.679 P: 18 56.337 2.494 1.113 0.924 1.000 0.941 CB 1.821 Q: 26 71.495 2.486 1.153 0.917 0.960 0.560 CB 1.964 26 residues pruned to eliminate duplicates R: 25 64.742 2.516 1.036 0.933 0.958 0.958 CB 1.879 25 residues pruned to eliminate duplicates S: 26 65.612 2.489 1.035 0.928 1.000 0.800 CA 1.813 26 residues pruned to eliminate duplicates T: 10 33.532 2.610 0.700 0.860 1.000 0.889 CB 1.851 10 residues pruned to eliminate duplicates U: 26 52.828 2.448 1.142 0.809 0.840 0.680 CB 1.832 26 residues pruned to eliminate duplicates V: 28 57.419 2.399 1.158 0.925 0.926 0.704 CB 1.618 28 residues pruned to eliminate duplicates W: 25 68.760 2.555 0.949 0.950 1.000 0.792 CA 1.943 25 residues pruned to eliminate duplicates X: 26 76.877 2.506 1.320 0.912 1.000 0.680 CA 1.872 26 residues pruned to eliminate duplicates Y: 11 39.106 2.436 1.190 0.922 1.000 0.700 CB 1.630 11 residues pruned to eliminate duplicates Z: 19 54.383 2.485 1.008 0.949 1.000 0.944 CB 1.774 Z: 27 54.747 2.490 0.938 0.811 0.923 0.538 CB 1.839 27 residues pruned to eliminate duplicates Z: 28 55.975 2.482 0.946 0.940 0.963 0.815 CB 1.609 Z: 27 59.731 2.453 1.067 0.872 0.923 0.731 CA 1.824 27 residues pruned to eliminate duplicates Z: 11 38.865 2.464 1.042 0.880 1.000 0.900 CB 1.771 11 residues pruned to eliminate duplicates Z: 22 46.740 2.483 0.998 0.826 0.905 0.714 CA 1.713 22 residues pruned to eliminate duplicates Z: 22 53.422 2.490 0.931 0.877 1.000 0.762 CA 1.760 22 residues pruned to eliminate duplicates Z: 22 59.160 2.458 1.142 0.880 1.000 0.810 CB 1.777 22 residues pruned to eliminate duplicates Z: 19 68.581 2.503 1.437 0.896 1.000 0.611 CB 1.898 19 residues pruned to eliminate duplicates Z: 27 51.425 2.479 0.756 0.954 1.000 0.923 CB 1.594 26 residues pruned to eliminate duplicates Z: 18 50.829 2.658 1.226 0.949 0.941 0.529 CB 1.528 18 residues pruned to eliminate duplicates Z: 20 60.608 2.387 1.357 0.928 1.000 0.842 CB 1.730 18 residues pruned to eliminate duplicates Z: 10 36.973 2.531 0.860 0.896 1.000 0.889 CB 1.875 10 residues pruned to eliminate duplicates Z: 22 58.205 2.403 1.226 0.870 1.000 0.619 CB 1.733 22 residues pruned to eliminate duplicates Z: 17 62.086 2.554 1.370 0.882 1.000 0.875 CB 1.855 17 residues pruned to eliminate duplicates Z: 25 72.920 2.528 1.231 0.901 0.958 0.625 CA 1.966 25 residues pruned to eliminate duplicates Z: 28 61.143 2.477 0.971 0.938 1.000 0.852 CB 1.676 28 residues pruned to eliminate duplicates Z: 32 81.514 2.503 1.547 0.908 0.968 0.419 CB 1.685 27 residues pruned to eliminate duplicates Z: 33 64.669 2.408 1.249 0.856 0.969 0.562 CB 1.607 33 residues pruned to eliminate duplicates Z: 13 42.703 2.497 0.908 0.913 1.000 1.000 CA 1.831 13 residues pruned to eliminate duplicates Z: 17 62.805 2.643 1.477 0.949 0.938 0.812 CB 1.765 17 residues pruned to eliminate duplicates Z: 31 55.875 2.452 0.759 0.948 1.000 0.867 CB 1.634 31 residues pruned to eliminate duplicates Z: 24 81.690 2.597 1.416 0.939 0.957 0.565 CB 1.973 25 residues pruned to eliminate duplicates Z: 22 65.417 2.532 1.238 0.875 1.000 0.714 CB 1.832 22 residues pruned to eliminate duplicates Z: 28 50.788 2.401 0.976 0.812 0.889 0.667 CB 1.767 28 residues pruned to eliminate duplicates Z: 16 59.084 2.685 1.139 0.949 1.000 0.867 CB 1.834 16 residues pruned to eliminate duplicates Z: 26 77.330 2.537 1.397 0.901 0.960 0.560 CB 1.891 25 residues pruned to eliminate duplicates Z: 18 46.433 2.382 1.073 0.881 0.941 0.824 CB 1.755 18 residues pruned to eliminate duplicates Z: 18 45.607 2.470 1.140 0.908 1.000 0.706 CB 1.486 18 residues pruned to eliminate duplicates Z: 10 23.344 2.650 0.212 0.887 1.000 1.000 CB 1.746 10 residues pruned to eliminate duplicates Z: 11 33.895 2.398 0.796 0.838 1.000 0.800 CA 1.860 12 residues pruned to eliminate duplicates Z: 251 158.322 2.519 1.008 0.687 0.956 0.640 CB 1.744 198 residues pruned to eliminate duplicates Z: 28 64.638 2.519 1.281 0.927 0.963 0.593 CB 1.575 28 residues pruned to eliminate duplicates Z: 17 75.343 2.678 1.649 0.949 1.000 0.938 CB 1.833 17 residues pruned to eliminate duplicates Z: 26 64.018 2.453 1.066 0.916 1.000 0.880 CA 1.785 26 residues pruned to eliminate duplicates Z: 19 51.126 2.575 0.978 0.796 0.944 0.667 CA 1.932 19 residues pruned to eliminate duplicates Z: 17 45.638 2.445 0.824 0.913 1.000 0.938 CB 1.811 17 residues pruned to eliminate duplicates Z: 25 75.043 2.594 1.182 0.937 0.958 0.583 CB 1.965 26 residues pruned to eliminate duplicates Z: 25 81.264 2.545 1.448 0.934 0.958 0.667 CB 1.937 24 residues pruned to eliminate duplicates Z: 18 62.245 2.537 1.341 0.940 1.000 1.000 CB 1.765 18 residues pruned to eliminate duplicates Z: 21 42.139 2.353 0.913 0.780 0.950 0.750 CB 1.722 21 residues pruned to eliminate duplicates Z: 31 56.575 2.475 0.719 0.918 1.000 0.833 CA 1.712 31 residues pruned to eliminate duplicates Z: 31 58.500 2.489 0.852 0.928 0.967 0.867 CB 1.680 31 residues pruned to eliminate duplicates Z: 31 55.686 2.465 0.811 0.911 0.933 0.867 CB 1.729 31 residues pruned to eliminate duplicates Z: 32 51.981 2.372 0.872 0.880 0.935 0.806 CB 1.629 32 residues pruned to eliminate duplicates Z: 25 70.394 2.544 1.193 0.906 0.958 0.875 CB 1.911 25 residues pruned to eliminate duplicates Z: 14 27.905 2.193 0.706 0.893 1.000 0.923 CA 1.486 14 residues pruned to eliminate duplicates Z: 18 33.664 2.315 0.781 0.881 1.000 0.824 CB 1.434 Z: 10 30.996 2.559 0.668 0.776 1.000 0.667 CB 1.898 11 residues pruned to eliminate duplicates Z: 34 66.536 2.591 0.979 0.697 1.000 0.606 CB 1.888 34 residues pruned to eliminate duplicates Z: 14 27.100 2.582 0.305 0.931 0.923 0.923 CB 1.689 14 residues pruned to eliminate duplicates Z: 27 65.112 2.507 1.040 0.871 1.000 0.692 CB 1.822 27 residues pruned to eliminate duplicates Z: 27 70.204 2.467 1.080 0.931 1.000 0.654 CB 1.875 Z: 22 64.860 2.551 1.212 0.883 1.000 0.667 CA 1.814 22 residues pruned to eliminate duplicates Z: 26 70.239 2.466 1.257 0.897 0.960 0.400 CB 1.882 26 residues pruned to eliminate duplicates Z: 18 54.237 2.511 1.259 0.930 1.000 0.941 CB 1.622 18 residues pruned to eliminate duplicates Z: 32 72.242 2.510 1.398 0.903 0.935 0.645 CB 1.642 32 residues pruned to eliminate duplicates Z: 25 65.481 2.535 0.965 0.933 0.958 0.875 CB 1.953 25 residues pruned to eliminate duplicates Z: 13 38.329 2.447 1.023 0.904 0.917 0.750 CB 1.737 13 residues pruned to eliminate duplicates Z: 26 79.047 2.519 1.396 0.917 0.960 0.440 CB 1.926 26 residues pruned to eliminate duplicates Z: 21 55.139 2.557 1.114 0.892 0.950 0.850 CA 1.725 21 residues pruned to eliminate duplicates Z: 27 51.176 2.515 0.907 0.855 0.846 0.423 CB 1.825 27 residues pruned to eliminate duplicates Z: 20 53.848 2.475 1.066 0.925 0.947 0.632 CB 1.790 20 residues pruned to eliminate duplicates Z: 16 37.818 2.339 1.034 0.800 0.867 0.733 CB 1.822 16 residues pruned to eliminate duplicates Z: 20 49.089 2.453 1.100 0.910 0.895 0.579 CB 1.733 20 residues pruned to eliminate duplicates Z: 32 85.015 2.523 1.612 0.921 0.968 0.645 CB 1.685 32 residues pruned to eliminate duplicates Z: 22 56.824 2.483 1.160 0.852 0.952 0.762 CA 1.796 22 residues pruned to eliminate duplicates Z: 27 56.506 2.558 0.875 0.814 0.923 0.731 CB 1.904 27 residues pruned to eliminate duplicates Z: 49 56.763 2.465 1.008 0.527 0.938 0.458 CB 1.719 49 residues pruned to eliminate duplicates Z: 11 31.476 2.505 0.920 0.810 1.000 0.700 CB 1.580 11 residues pruned to eliminate duplicates Z: 26 65.858 2.597 1.201 0.955 1.000 0.640 CB 1.584 26 residues pruned to eliminate duplicates Z: 15 33.762 2.352 0.877 0.886 0.929 0.714 CB 1.588 15 residues pruned to eliminate duplicates Z: 27 66.591 2.510 1.128 0.872 0.962 0.808 CA 1.853 27 residues pruned to eliminate duplicates Z: 18 56.986 2.510 1.162 0.923 1.000 0.824 CB 1.791 18 residues pruned to eliminate duplicates Z: 19 70.784 2.533 1.561 0.923 1.000 0.889 CB 1.808 19 residues pruned to eliminate duplicates Z: 32 68.832 2.466 1.465 0.908 0.903 0.419 CB 1.600 32 residues pruned to eliminate duplicates Z: 22 53.339 2.521 0.955 0.878 0.952 0.810 CA 1.799 22 residues pruned to eliminate duplicates Z: 22 59.045 2.466 1.329 0.880 0.952 0.714 CB 1.707 22 residues pruned to eliminate duplicates Z: 16 26.509 2.340 0.552 0.813 0.867 0.533 CB 1.657 16 residues pruned to eliminate duplicates Z: 25 88.081 2.572 1.406 0.949 1.000 0.667 CB 2.005 25 residues pruned to eliminate duplicates Z: 27 55.328 2.500 0.718 0.928 1.000 0.885 CB 1.770 27 residues pruned to eliminate duplicates Z: 28 64.594 2.499 1.157 0.830 0.926 0.593 CB 1.872 28 residues pruned to eliminate duplicates Z: 21 48.989 2.509 1.014 0.842 0.950 0.600 CA 1.700 21 residues pruned to eliminate duplicates Z: 11 40.132 2.633 0.892 0.925 1.000 0.900 CB 1.787 11 residues pruned to eliminate duplicates Z: 19 59.390 2.447 1.263 0.915 1.000 0.889 CB 1.787 19 residues pruned to eliminate duplicates Z: 11 28.488 2.327 1.126 0.858 0.900 0.600 CB 1.490 11 residues pruned to eliminate duplicates Z: 20 37.475 2.243 1.085 0.822 0.947 0.684 CB 1.468 18 residues pruned to eliminate duplicates Z: 25 63.371 2.550 0.879 0.930 0.958 0.875 CA 1.970 25 residues pruned to eliminate duplicates Z: 18 53.646 2.515 1.132 0.942 1.000 0.941 CB 1.683 18 residues pruned to eliminate duplicates Z: 19 48.677 2.571 1.137 0.943 0.944 0.611 CB 1.532 21 residues pruned to eliminate duplicates Z: 18 50.797 2.431 1.154 0.942 1.000 1.000 CB 1.632 18 residues pruned to eliminate duplicates Z: 28 65.726 2.505 1.251 0.943 0.963 0.778 CB 1.615 28 residues pruned to eliminate duplicates Z: 22 60.708 2.548 1.084 0.881 1.000 0.857 CA 1.807 22 residues pruned to eliminate duplicates Z: 27 53.382 2.507 1.028 0.823 0.885 0.423 CB 1.759 27 residues pruned to eliminate duplicates Z: 26 79.226 2.516 1.428 0.921 0.960 0.560 CB 1.901 26 residues pruned to eliminate duplicates Z: 27 73.645 2.565 1.319 0.929 1.000 0.692 CB 1.699 27 residues pruned to eliminate duplicates Z: 28 66.276 2.508 1.174 0.923 1.000 0.741 CB 1.644 28 residues pruned to eliminate duplicates Z: 11 29.185 2.448 0.607 0.884 1.000 0.900 CB 1.695 Z: 28 57.628 2.442 0.997 0.905 1.000 0.778 CB 1.618 28 residues pruned to eliminate duplicates Z: 26 80.484 2.494 1.529 0.911 0.960 0.440 CB 1.884 27 residues pruned to eliminate duplicates Z: 15 52.317 2.642 1.106 0.837 1.000 0.643 CB 1.879 15 residues pruned to eliminate duplicates Z: 28 64.789 2.439 1.171 0.862 0.926 0.667 CB 1.867 28 residues pruned to eliminate duplicates Z: 27 69.745 2.563 1.141 0.953 1.000 0.731 CB 1.715 27 residues pruned to eliminate duplicates Z: 33 54.888 2.401 0.821 0.887 0.969 0.844 CB 1.652 33 residues pruned to eliminate duplicates Z: 28 59.473 2.453 1.036 0.846 0.963 0.593 CB 1.769 28 residues pruned to eliminate duplicates Z: 29 55.786 2.383 1.116 0.936 0.964 0.643 CB 1.510 29 residues pruned to eliminate duplicates Z: 33 70.929 2.435 1.311 0.913 0.969 0.469 CB 1.628 33 residues pruned to eliminate duplicates Z: 27 62.361 2.457 1.017 0.897 0.962 0.846 CA 1.838 27 residues pruned to eliminate duplicates Z: 18 49.340 2.355 1.154 0.880 1.000 0.765 CA 1.709 18 residues pruned to eliminate duplicates Z: 31 77.396 2.549 1.397 0.949 0.967 0.633 CB 1.651 30 residues pruned to eliminate duplicates Z: 32 69.812 2.461 1.317 0.890 0.935 0.710 CB 1.691 32 residues pruned to eliminate duplicates Z: 18 32.825 2.300 0.626 0.860 1.000 0.706 CB 1.565 18 residues pruned to eliminate duplicates Z: 28 57.011 2.502 0.972 0.806 0.926 0.704 CB 1.839 28 residues pruned to eliminate duplicates Z: 31 52.319 2.483 0.644 0.927 0.967 0.867 CB 1.697 31 residues pruned to eliminate duplicates Z: 29 55.813 2.314 1.125 0.888 0.964 0.571 CB 1.603 29 residues pruned to eliminate duplicates Z: 31 73.953 2.519 1.430 0.940 0.967 0.433 CB 1.584 31 residues pruned to eliminate duplicates Z: 25 51.650 2.497 0.683 0.936 0.958 0.833 CA 1.822 25 residues pruned to eliminate duplicates Z: 20 55.130 2.350 1.288 0.926 1.000 0.474 CB 1.650 20 residues pruned to eliminate duplicates Z: 28 57.624 2.460 0.954 0.857 0.926 0.741 CB 1.837 28 residues pruned to eliminate duplicates Z: 181 139.322 2.503 1.083 0.698 0.944 0.717 CB 1.761 214 residues pruned to eliminate duplicates Z: 25 79.468 2.565 1.253 0.934 1.000 0.958 CA 1.958 25 residues pruned to eliminate duplicates Z: 26 52.396 2.546 0.787 0.937 0.960 0.920 CB 1.669 26 residues pruned to eliminate duplicates Z: 14 37.887 2.394 1.142 0.891 0.923 0.692 CB 1.596 14 residues pruned to eliminate duplicates Z: 31 71.569 2.540 1.264 0.941 0.933 0.767 CB 1.690 31 residues pruned to eliminate duplicates Z: 27 66.024 2.437 1.328 0.920 0.885 0.615 CB 1.817 27 residues pruned to eliminate duplicates Z: 20 32.175 2.123 0.990 0.875 0.947 0.526 CB 1.341 19 residues pruned to eliminate duplicates Z: 28 77.035 2.611 1.481 0.962 1.000 0.444 CB 1.565 28 residues pruned to eliminate duplicates Z: 12 31.750 2.338 0.915 0.843 1.000 0.636 CA 1.591 11 residues pruned to eliminate duplicates Z: 29 77.152 2.591 1.513 0.959 1.000 0.679 CB 1.535 30 residues pruned to eliminate duplicates Z: 11 32.665 2.453 0.969 0.863 0.900 0.900 CA 1.744 12 residues pruned to eliminate duplicates Z: 29 58.766 2.352 1.081 0.821 0.929 0.571 CB 1.850 29 residues pruned to eliminate duplicates Z: 14 43.497 2.609 0.746 0.942 0.923 0.846 CB 1.990 14 residues pruned to eliminate duplicates Z: 7 9.404 1.986 0.349 0.847 1.000 0.500 CB 1.064 7 residues pruned to eliminate duplicates Z: 181 143.850 2.517 1.068 0.686 0.978 0.700 CB 1.777 125 residues pruned to eliminate duplicates Z: 50 53.528 2.390 0.937 0.537 0.939 0.551 CB 1.696 50 residues pruned to eliminate duplicates Z: 22 54.884 2.470 1.221 0.827 0.952 0.619 CB 1.727 22 residues pruned to eliminate duplicates Z: 28 58.342 2.492 0.986 0.828 0.926 0.741 CA 1.846 28 residues pruned to eliminate duplicates Z: 29 57.973 2.404 1.023 0.818 0.964 0.714 CB 1.773 29 residues pruned to eliminate duplicates Z: 28 56.330 2.438 0.875 0.843 0.963 0.815 CB 1.833 28 residues pruned to eliminate duplicates Z: 32 72.123 2.482 1.342 0.935 0.968 0.516 CB 1.605 32 residues pruned to eliminate duplicates Z: 28 52.732 2.479 0.960 0.768 0.889 0.667 CB 1.853 28 residues pruned to eliminate duplicates Z: 27 64.652 2.515 1.193 0.928 0.962 0.846 CB 1.674 27 residues pruned to eliminate duplicates Z: 31 79.177 2.486 1.551 0.949 0.933 0.267 CB 1.685 31 residues pruned to eliminate duplicates Z: 27 66.098 2.464 1.054 0.917 0.962 0.769 CB 1.881 27 residues pruned to eliminate duplicates Z: 26 66.442 2.556 1.098 0.886 0.960 0.680 CB 1.862 26 residues pruned to eliminate duplicates Z: 21 50.726 2.534 1.005 0.861 0.900 0.650 CA 1.822 21 residues pruned to eliminate duplicates Z: 18 50.208 2.318 1.171 0.913 1.000 0.941 CA 1.712 18 residues pruned to eliminate duplicates Z: 28 59.621 2.387 0.918 0.930 1.000 0.926 CB 1.753 28 residues pruned to eliminate duplicates Z: 17 32.159 2.116 0.784 0.845 0.938 0.625 CB 1.688 17 residues pruned to eliminate duplicates Z: 12 24.267 2.253 0.766 0.865 0.909 0.818 CB 1.481 12 residues pruned to eliminate duplicates Z: 24 66.187 2.573 1.013 0.939 1.000 0.913 CA 1.851 24 residues pruned to eliminate duplicates Z: 21 54.689 2.579 1.011 0.868 0.950 0.800 CA 1.814 21 residues pruned to eliminate duplicates Z: 10 26.662 2.529 0.643 0.800 1.000 0.667 CB 1.645 10 residues pruned to eliminate duplicates Z: 19 45.807 2.340 0.880 0.921 1.000 0.944 CA 1.727 19 residues pruned to eliminate duplicates Z: 21 59.716 2.587 1.096 0.883 1.000 0.700 CA 1.781 21 residues pruned to eliminate duplicates Z: 28 52.510 2.481 0.808 0.912 0.926 0.741 CB 1.723 28 residues pruned to eliminate duplicates Z: 30 60.640 2.286 1.069 0.928 0.966 0.690 CB 1.728 30 residues pruned to eliminate duplicates Z: 24 58.402 2.499 0.830 0.934 1.000 0.870 CA 1.856 23 residues pruned to eliminate duplicates Z: 22 48.221 2.477 0.979 0.834 0.952 0.810 CA 1.690 22 residues pruned to eliminate duplicates Z: 26 58.314 2.498 0.872 0.909 0.960 0.840 CA 1.843 26 residues pruned to eliminate duplicates Z: 28 63.761 2.488 1.036 0.914 1.000 0.741 CB 1.713 28 residues pruned to eliminate duplicates Z: 19 35.036 2.262 0.724 0.886 1.000 0.833 CB 1.528 Z: 31 81.316 2.559 1.311 0.929 1.000 0.667 CB 1.757 31 residues pruned to eliminate duplicates Z: 21 50.342 2.429 0.989 0.919 0.900 0.700 CB 1.825 21 residues pruned to eliminate duplicates Z: 6 7.674 2.177 0.178 0.671 0.800 0.400 CA 1.428 6 residues pruned to eliminate duplicates Z: 20 57.379 2.590 1.002 0.877 1.000 0.789 CB 1.843 20 residues pruned to eliminate duplicates Z: 19 37.448 2.173 0.997 0.836 1.000 0.556 CB 1.522 19 residues pruned to eliminate duplicates Z: 28 67.164 2.407 1.226 0.899 0.963 0.519 CB 1.790 28 residues pruned to eliminate duplicates Z: 28 53.394 2.411 0.952 0.839 0.963 0.519 CB 1.693 28 residues pruned to eliminate duplicates Z: 28 41.875 2.340 1.002 0.724 0.852 0.630 CB 1.649 28 residues pruned to eliminate duplicates Z: 28 66.150 2.393 1.268 0.913 1.000 0.444 CB 1.660 28 residues pruned to eliminate duplicates Z: 18 36.076 2.352 0.803 0.881 1.000 0.647 CB 1.494 18 residues pruned to eliminate duplicates Z: 28 60.873 2.405 1.084 0.867 0.963 0.593 CB 1.775 28 residues pruned to eliminate duplicates Z: 176 126.960 2.468 1.091 0.664 0.954 0.509 CB 1.675 130 residues pruned to eliminate duplicates Z: 28 60.087 2.461 0.971 0.908 1.000 0.741 CB 1.693 28 residues pruned to eliminate duplicates Z: 27 68.712 2.533 1.206 0.853 0.923 0.692 CA 1.931 27 residues pruned to eliminate duplicates Z: 26 66.911 2.474 1.079 0.916 0.960 0.680 CB 1.915 26 residues pruned to eliminate duplicates Z: 19 38.757 2.230 0.983 0.864 1.000 0.500 CB 1.515 19 residues pruned to eliminate duplicates Z: 22 59.120 2.534 1.040 0.878 1.000 0.810 CB 1.812 22 residues pruned to eliminate duplicates Z: 27 63.579 2.415 1.198 0.935 0.962 0.615 CB 1.702 27 residues pruned to eliminate duplicates Z: 79 86.995 2.557 1.007 0.664 0.962 0.654 CB 1.714 79 residues pruned to eliminate duplicates Z: 18 37.263 2.349 0.916 0.872 1.000 0.412 CB 1.463 18 residues pruned to eliminate duplicates Z: 6 11.107 2.022 0.374 0.753 1.000 1.000 CB 1.427 6 residues pruned to eliminate duplicates Z: 31 78.911 2.559 1.520 0.951 0.967 0.533 CB 1.592 31 residues pruned to eliminate duplicates Z: 47 64.530 2.426 0.981 0.670 0.957 0.696 CB 1.769 47 residues pruned to eliminate duplicates Z: 25 66.097 2.540 0.935 0.936 1.000 0.958 CA 1.911 25 residues pruned to eliminate duplicates Z: 7 9.065 2.002 0.396 0.864 1.000 0.833 CB 0.971 Z: 31 77.820 2.522 1.433 0.930 0.967 0.400 CB 1.675 31 residues pruned to eliminate duplicates Z: 27 54.989 2.533 0.919 0.849 0.846 0.654 CB 1.943 27 residues pruned to eliminate duplicates Z: 28 54.609 2.431 1.064 0.838 0.926 0.593 CB 1.691 21 residues pruned to eliminate duplicates Z: 28 50.324 2.369 0.796 0.901 0.926 0.556 CB 1.754 28 residues pruned to eliminate duplicates Z: 28 60.398 2.476 1.271 0.899 0.963 0.556 CB 1.535 28 residues pruned to eliminate duplicates Z: 25 79.085 2.570 1.321 0.952 0.917 0.458 CB 2.034 25 residues pruned to eliminate duplicates Z: 27 56.800 2.408 0.992 0.927 1.000 0.846 CB 1.627 27 residues pruned to eliminate duplicates Z: 178 134.894 2.540 1.015 0.663 0.949 0.689 CB 1.795 144 residues pruned to eliminate duplicates Z: 19 49.078 2.387 1.118 0.890 1.000 0.389 CB 1.645 19 residues pruned to eliminate duplicates Z: 25 73.210 2.544 1.185 0.936 0.958 0.875 CB 1.953 25 residues pruned to eliminate duplicates Z: 52 78.453 2.373 1.101 0.926 0.980 0.765 CB 1.576 52 residues pruned to eliminate duplicates Z: 28 67.609 2.413 1.302 0.922 0.963 0.444 CB 1.710 28 residues pruned to eliminate duplicates Z: 17 59.495 2.506 1.586 0.900 0.938 0.688 CB 1.749 9 residues pruned to eliminate duplicates Z: 28 68.111 2.373 1.280 0.915 1.000 0.630 CB 1.712 28 residues pruned to eliminate duplicates Z: 31 80.825 2.547 1.399 0.931 1.000 0.733 CB 1.687 17 residues pruned to eliminate duplicates Z: 25 73.146 2.576 1.154 0.938 0.958 0.667 CB 1.952 25 residues pruned to eliminate duplicates Z: 22 51.067 2.470 1.074 0.864 0.905 0.667 CA 1.763 22 residues pruned to eliminate duplicates Z: 26 64.468 2.453 0.922 0.928 1.000 0.840 CB 1.915 25 residues pruned to eliminate duplicates Z: 16 35.289 2.411 0.893 0.851 0.933 0.667 CB 1.583 16 residues pruned to eliminate duplicates Z: 27 69.180 2.523 1.322 0.937 0.962 0.462 CB 1.676 27 residues pruned to eliminate duplicates Z: 26 53.941 2.455 0.772 0.936 0.960 0.960 CA 1.798 26 residues pruned to eliminate duplicates Z: 30 78.878 2.586 1.435 0.938 0.931 0.586 CB 1.738 30 residues pruned to eliminate duplicates Z: 26 62.210 2.482 1.003 0.912 0.920 0.880 CA 1.927 26 residues pruned to eliminate duplicates Z: 19 61.823 2.494 1.290 0.934 1.000 0.833 CB 1.779 19 residues pruned to eliminate duplicates Z: 19 31.421 2.305 0.954 0.788 0.889 0.500 CB 1.436 19 residues pruned to eliminate duplicates Z: 18 60.303 2.494 1.312 0.911 1.000 0.529 CB 1.798 18 residues pruned to eliminate duplicates Z: 28 59.963 2.492 0.938 0.841 0.963 0.741 CA 1.851 28 residues pruned to eliminate duplicates Z: 13 52.374 2.508 1.283 0.897 1.000 0.833 CA 1.890 13 residues pruned to eliminate duplicates Z: 26 57.784 2.496 0.907 0.902 0.920 0.760 CA 1.883 26 residues pruned to eliminate duplicates Z: 19 37.755 2.335 1.077 0.817 0.944 0.556 CB 1.475 20 residues pruned to eliminate duplicates Z: 19 40.399 2.277 0.930 0.882 1.000 0.722 CB 1.568 19 residues pruned to eliminate duplicates Z: 24 77.340 2.557 1.443 0.958 0.957 0.348 CB 1.852 24 residues pruned to eliminate duplicates Z: 29 51.634 2.476 1.027 0.641 1.000 0.679 CB 1.704 29 residues pruned to eliminate duplicates Z: 26 68.481 2.615 1.303 0.953 0.960 0.680 CB 1.630 26 residues pruned to eliminate duplicates Z: 11 39.634 2.422 1.237 0.925 1.000 1.000 CB 1.623 11 residues pruned to eliminate duplicates Z: 28 60.340 2.390 1.023 0.912 1.000 0.407 CB 1.700 28 residues pruned to eliminate duplicates Z: 11 12.255 1.984 0.775 0.763 0.700 0.400 CB 1.245 11 residues pruned to eliminate duplicates Z: 173 143.409 2.540 1.176 0.719 0.953 0.622 CB 1.702 158 residues pruned to eliminate duplicates Z: 27 68.504 2.534 1.068 0.881 1.000 0.654 CB 1.856 27 residues pruned to eliminate duplicates Z: 16 28.511 2.063 1.043 0.909 0.867 0.800 CB 1.430 15 residues pruned to eliminate duplicates Z: 11 32.394 2.309 0.870 0.886 1.000 0.800 CB 1.711 11 residues pruned to eliminate duplicates Z: 24 60.554 2.563 0.922 0.924 0.957 0.870 CA 1.882 24 residues pruned to eliminate duplicates Z: 28 63.287 2.466 1.120 0.858 0.926 0.630 CA 1.853 28 residues pruned to eliminate duplicates Z: 27 67.115 2.526 1.182 0.937 1.000 0.654 CB 1.662 27 residues pruned to eliminate duplicates Z: 26 40.164 2.498 0.897 0.826 0.720 0.440 CB 1.775 26 residues pruned to eliminate duplicates Z: 26 61.806 2.472 0.956 0.924 1.000 1.000 CA 1.796 26 residues pruned to eliminate duplicates Z: 181 144.234 2.539 1.140 0.673 0.961 0.594 CB 1.754 181 residues pruned to eliminate duplicates Z: 23 36.048 2.297 1.165 0.641 0.909 0.500 CB 1.489 23 residues pruned to eliminate duplicates Z: 27 54.332 2.509 0.742 0.927 1.000 0.692 CB 1.709 27 residues pruned to eliminate duplicates Z: 19 57.270 2.554 1.128 0.943 0.944 0.667 CB 1.822 19 residues pruned to eliminate duplicates Z: 25 67.407 2.516 0.971 0.920 1.000 0.875 CB 1.954 25 residues pruned to eliminate duplicates Z: 10 40.464 2.691 0.927 0.877 1.000 0.889 CB 1.889 10 residues pruned to eliminate duplicates Z: 30 76.717 2.500 1.529 0.947 0.931 0.586 CB 1.673 30 residues pruned to eliminate duplicates Z: 26 46.799 2.329 0.796 0.917 0.920 0.760 CA 1.716 26 residues pruned to eliminate duplicates Z: 25 56.475 2.387 0.833 0.934 1.000 0.875 CA 1.838 25 residues pruned to eliminate duplicates Z: 7 12.362 1.931 0.531 0.771 1.000 1.000 CA 1.343 7 residues pruned to eliminate duplicates Z: 178 151.690 2.571 1.187 0.695 0.955 0.599 CB 1.776 178 residues pruned to eliminate duplicates Z: 20 37.524 2.230 0.983 0.812 0.947 0.684 CB 1.566 20 residues pruned to eliminate duplicates Z: 28 50.245 2.465 0.883 0.828 0.889 0.519 CB 1.766 28 residues pruned to eliminate duplicates Z: 18 60.064 2.462 1.374 0.900 1.000 0.647 CB 1.780 18 residues pruned to eliminate duplicates Z: 32 56.835 2.409 0.784 0.920 1.000 0.903 CB 1.673 32 residues pruned to eliminate duplicates Z: 7 11.110 1.993 0.553 0.698 0.833 0.667 CB 1.468 7 residues pruned to eliminate duplicates Z: 20 45.342 2.440 1.013 0.805 0.895 0.842 CA 1.814 20 residues pruned to eliminate duplicates Z: 28 59.666 2.482 1.138 0.916 0.926 0.556 CB 1.650 28 residues pruned to eliminate duplicates Z: 72 86.456 2.525 0.992 0.715 0.972 0.577 CB 1.728 74 residues pruned to eliminate duplicates Z: 26 74.098 2.478 1.289 0.914 1.000 0.520 CB 1.847 26 residues pruned to eliminate duplicates Z: 26 64.328 2.456 1.473 0.921 0.920 0.440 CB 1.621 26 residues pruned to eliminate duplicates Z: 185 141.230 2.490 1.146 0.705 0.951 0.571 CB 1.700 185 residues pruned to eliminate duplicates Z: 10 33.413 2.524 0.870 0.764 1.000 0.778 CB 1.867 10 residues pruned to eliminate duplicates Z: 28 61.547 2.449 1.070 0.817 0.963 0.704 CA 1.842 28 residues pruned to eliminate duplicates Z: 182 144.030 2.535 1.137 0.687 0.950 0.552 CB 1.751 125 residues pruned to eliminate duplicates Z: 22 54.154 2.481 1.040 0.852 1.000 0.857 CA 1.726 22 residues pruned to eliminate duplicates Z: 13 34.301 2.397 0.754 0.893 0.917 0.833 CA 1.845 13 residues pruned to eliminate duplicates Z: 11 31.212 2.400 1.041 0.875 1.000 0.800 CB 1.465 11 residues pruned to eliminate duplicates Z: 25 76.133 2.501 1.305 0.954 1.000 0.500 CB 1.854 25 residues pruned to eliminate duplicates Z: 12 21.064 2.341 0.619 0.701 0.909 0.545 CB 1.534 12 residues pruned to eliminate duplicates Z: 27 52.218 2.495 0.934 0.847 0.885 0.500 CB 1.781 27 residues pruned to eliminate duplicates Z: 32 62.368 2.443 1.194 0.884 0.903 0.548 CB 1.672 32 residues pruned to eliminate duplicates Z: 29 59.855 2.355 1.019 0.933 0.964 0.786 CB 1.722 29 residues pruned to eliminate duplicates Z: 10 22.577 2.528 0.473 0.798 0.889 0.778 CA 1.752 10 residues pruned to eliminate duplicates Z: 28 63.829 2.463 1.346 0.936 0.926 0.444 CB 1.598 28 residues pruned to eliminate duplicates Z: 15 44.733 2.540 0.768 0.944 1.000 1.000 CA 1.843 15 residues pruned to eliminate duplicates Z: 145 118.733 2.493 1.019 0.686 0.965 0.694 CB 1.717 145 residues pruned to eliminate duplicates Z: 26 58.428 2.414 0.827 0.947 1.000 0.960 CB 1.831 26 residues pruned to eliminate duplicates Z: 28 60.775 2.482 0.964 0.848 1.000 0.889 CB 1.781 28 residues pruned to eliminate duplicates Z: 28 58.258 2.365 0.846 0.926 1.000 0.778 CB 1.801 28 residues pruned to eliminate duplicates Z: 26 57.009 2.531 0.951 0.817 1.000 0.600 CB 1.753 26 residues pruned to eliminate duplicates Z: 26 58.274 2.494 1.178 0.904 0.960 0.760 CB 1.592 26 residues pruned to eliminate duplicates Z: 26 80.700 2.525 1.416 0.925 0.960 0.600 CB 1.933 26 residues pruned to eliminate duplicates Z: 28 64.891 2.405 1.132 0.923 1.000 0.815 CB 1.711 28 residues pruned to eliminate duplicates Z: 156 130.258 2.530 1.052 0.713 0.955 0.710 CB 1.740 156 residues pruned to eliminate duplicates Z: 133 125.138 2.555 1.216 0.689 0.947 0.530 CB 1.709 134 residues pruned to eliminate duplicates Z: 21 51.039 2.533 0.832 0.874 1.000 0.800 CA 1.791 21 residues pruned to eliminate duplicates Z: 27 52.353 2.444 0.865 0.849 0.962 0.769 CB 1.737 27 residues pruned to eliminate duplicates Z: 27 64.549 2.433 1.175 0.939 0.923 0.500 CB 1.801 27 residues pruned to eliminate duplicates Z: 11 27.767 2.144 0.862 0.902 1.000 0.900 CB 1.569 11 residues pruned to eliminate duplicates Z: 26 57.175 2.402 0.848 0.936 1.000 0.840 CA 1.794 26 residues pruned to eliminate duplicates Z: 22 57.286 2.496 0.984 0.893 1.000 0.905 CB 1.811 22 residues pruned to eliminate duplicates Z: 22 61.268 2.493 1.272 0.886 0.952 0.667 CB 1.789 22 residues pruned to eliminate duplicates Z: 28 59.609 2.377 1.066 0.902 1.000 0.704 CB 1.666 28 residues pruned to eliminate duplicates Z: 183 148.454 2.551 1.108 0.691 0.962 0.593 CB 1.787 144 residues pruned to eliminate duplicates Z: 25 37.182 2.344 1.044 0.861 0.750 0.208 CB 1.553 25 residues pruned to eliminate duplicates Z: 22 51.269 2.503 0.879 0.859 0.952 0.762 CB 1.838 22 residues pruned to eliminate duplicates Z: 103 101.166 2.544 0.987 0.673 0.961 0.696 CB 1.759 103 residues pruned to eliminate duplicates Z: 26 62.770 2.449 1.262 0.894 0.880 0.520 CB 1.847 26 residues pruned to eliminate duplicates Z: 24 28.509 2.368 0.899 0.462 0.826 0.478 CB 1.663 24 residues pruned to eliminate duplicates Z: 18 29.851 2.393 0.676 0.822 0.941 0.706 CB 1.451 18 residues pruned to eliminate duplicates Z: 27 56.289 2.434 0.935 0.892 0.962 0.692 CB 1.752 27 residues pruned to eliminate duplicates Z: 121 101.958 2.531 0.890 0.648 0.958 0.633 CB 1.768 121 residues pruned to eliminate duplicates Z: 19 28.190 2.188 0.826 0.835 0.944 0.611 CB 1.320 21 residues pruned to eliminate duplicates Z: 7 3.093 1.874 -0.031 0.382 0.667 0.500 CB 1.182 7 residues pruned to eliminate duplicates Z: 19 34.930 2.254 0.765 0.886 1.000 0.889 CB 1.493 19 residues pruned to eliminate duplicates Z: 26 71.014 2.452 1.207 0.931 0.960 0.440 CB 1.910 26 residues pruned to eliminate duplicates Z: 18 38.273 2.292 1.074 0.863 1.000 0.353 CB 1.432 18 residues pruned to eliminate duplicates Z: 16 46.802 2.544 0.974 0.938 1.000 0.867 CB 1.673 16 residues pruned to eliminate duplicates Z: 31 61.889 2.458 0.912 0.932 1.000 0.900 CB 1.679 31 residues pruned to eliminate duplicates Z: 189 140.228 2.505 1.155 0.681 0.936 0.596 CB 1.713 189 residues pruned to eliminate duplicates Z: 26 67.264 2.469 1.211 0.918 0.960 0.360 CB 1.811 26 residues pruned to eliminate duplicates Z: 18 39.269 2.309 0.923 0.873 1.000 0.765 CB 1.562 19 residues pruned to eliminate duplicates Z: 21 54.889 2.516 1.038 0.888 0.950 0.800 CB 1.816 21 residues pruned to eliminate duplicates Z: 30 60.168 2.471 0.802 0.934 1.000 0.862 CB 1.750 30 residues pruned to eliminate duplicates Z: 47 80.200 2.471 1.219 0.793 0.978 0.696 CB 1.705 48 residues pruned to eliminate duplicates Z: 27 67.726 2.388 1.317 0.925 0.962 0.462 CB 1.753 27 residues pruned to eliminate duplicates Z: 28 59.973 2.401 1.058 0.872 0.963 0.667 CB 1.768 28 residues pruned to eliminate duplicates Z: 147 139.882 2.537 1.237 0.701 0.986 0.521 CB 1.722 147 residues pruned to eliminate duplicates Z: 21 51.316 2.563 0.840 0.897 0.950 0.850 CB 1.833 21 residues pruned to eliminate duplicates Z: 8 7.910 2.010 0.604 0.284 0.714 0.429 CB 1.656 8 residues pruned to eliminate duplicates Z: 6 10.898 2.061 0.319 0.776 1.000 1.000 CA 1.405 6 residues pruned to eliminate duplicates Z: 25 47.541 2.461 0.647 0.895 0.958 0.917 CA 1.790 25 residues pruned to eliminate duplicates Z: 28 70.188 2.493 1.298 0.926 1.000 0.741 CB 1.654 28 residues pruned to eliminate duplicates Z: 80 69.070 2.370 0.837 0.593 0.962 0.633 CB 1.697 80 residues pruned to eliminate duplicates Z: 28 58.491 2.358 1.125 0.939 0.926 0.593 CB 1.686 28 residues pruned to eliminate duplicates Z: 64 75.449 2.381 0.993 0.714 0.952 0.683 CB 1.733 108 residues pruned to eliminate duplicates Z: 31 55.522 2.422 0.686 0.947 1.000 1.000 CB 1.717 31 residues pruned to eliminate duplicates Z: 19 26.703 2.284 0.816 0.800 0.889 0.444 CB 1.313 19 residues pruned to eliminate duplicates Z: 49 59.666 2.383 0.898 0.614 0.938 0.438 CB 1.822 49 residues pruned to eliminate duplicates Z: 25 74.106 2.617 1.484 0.955 0.958 0.708 CB 1.669 25 residues pruned to eliminate duplicates Z: 22 54.143 2.494 1.071 0.883 1.000 0.857 CB 1.654 22 residues pruned to eliminate duplicates Z: 24 51.873 2.405 1.375 0.869 0.957 0.435 CB 1.445 24 residues pruned to eliminate duplicates Z: 16 22.887 2.351 0.647 0.690 0.800 0.800 CB 1.603 16 residues pruned to eliminate duplicates Z: 24 77.894 2.609 1.432 0.919 0.957 0.478 CB 1.886 24 residues pruned to eliminate duplicates Z: 31 68.351 2.543 1.012 0.942 0.967 0.867 CB 1.750 31 residues pruned to eliminate duplicates Z: 178 130.752 2.487 1.056 0.677 0.955 0.672 CB 1.711 178 residues pruned to eliminate duplicates Z: 12 32.871 2.344 1.084 0.798 1.000 0.818 CA 1.563 11 residues pruned to eliminate duplicates Z: 182 129.066 2.467 1.113 0.669 0.934 0.558 CB 1.685 182 residues pruned to eliminate duplicates Z: 135 119.089 2.504 1.014 0.712 0.955 0.694 CB 1.762 135 residues pruned to eliminate duplicates Z: 176 132.261 2.496 1.088 0.673 0.954 0.629 CB 1.714 142 residues pruned to eliminate duplicates Z: 180 144.400 2.518 1.162 0.704 0.961 0.659 CB 1.714 180 residues pruned to eliminate duplicates Z: 18 37.250 2.299 0.952 0.853 1.000 0.765 CB 1.488 Z: 28 47.974 2.389 1.066 0.794 0.889 0.630 CB 1.626 28 residues pruned to eliminate duplicates Z: 29 56.417 2.299 0.943 0.904 1.000 0.857 CB 1.700 29 residues pruned to eliminate duplicates Z: 6 7.966 2.118 0.453 0.450 0.800 0.400 CA 1.522 6 residues pruned to eliminate duplicates Z: 15 28.823 2.452 0.711 0.726 0.857 0.786 CB 1.747 15 residues pruned to eliminate duplicates Z: 15 31.799 2.511 0.692 0.588 1.000 0.714 CB 1.839 15 residues pruned to eliminate duplicates Z: 172 141.232 2.520 1.168 0.695 0.953 0.585 CB 1.735 172 residues pruned to eliminate duplicates Z: 16 43.519 2.312 1.429 0.904 1.000 0.467 CB 1.425 16 residues pruned to eliminate duplicates Z: 27 43.974 2.503 0.751 0.818 0.846 0.577 CB 1.764 27 residues pruned to eliminate duplicates Z: 8 15.187 2.161 0.468 0.733 1.000 0.714 CA 1.468 8 residues pruned to eliminate duplicates Z: 27 44.660 2.340 0.669 0.900 0.962 0.885 CA 1.666 26 residues pruned to eliminate duplicates Z: 11 34.467 2.407 1.163 0.892 1.000 0.500 CB 1.504 11 residues pruned to eliminate duplicates Z: 9 29.481 2.104 1.274 0.852 1.000 1.000 CA 1.612 Z: 50 43.062 2.386 0.909 0.611 0.735 0.347 CB 1.655 50 residues pruned to eliminate duplicates Z: 28 60.550 2.336 1.019 0.904 1.000 0.815 CB 1.760 28 residues pruned to eliminate duplicates Z: 6 16.575 2.006 0.973 0.874 1.000 1.000 CB 1.363 Z: 7 10.218 1.873 0.364 0.714 1.000 0.500 CA 1.346 Z: 20 61.945 2.613 1.304 0.947 1.000 0.842 CB 1.630 20 residues pruned to eliminate duplicates Z: 17 61.190 2.520 1.311 0.928 1.000 0.375 CB 1.840 17 residues pruned to eliminate duplicates Z: 181 143.778 2.512 1.177 0.701 0.956 0.589 CB 1.708 194 residues pruned to eliminate duplicates Z: 22 55.648 2.389 1.102 0.880 1.000 0.667 CB 1.753 22 residues pruned to eliminate duplicates Z: 26 73.995 2.457 1.520 0.948 1.000 0.600 CB 1.651 26 residues pruned to eliminate duplicates Z: 30 25.353 2.067 0.998 0.565 0.897 0.552 CB 1.194 27 residues pruned to eliminate duplicates Z: 24 73.960 2.540 1.343 0.942 0.957 0.348 CB 1.878 24 residues pruned to eliminate duplicates Z: 18 31.800 2.229 1.047 0.896 0.882 0.412 CB 1.373 18 residues pruned to eliminate duplicates Z: 10 23.835 2.159 0.729 0.824 1.000 0.667 CA 1.607 10 residues pruned to eliminate duplicates Z: 11 11.860 1.949 0.804 0.397 1.000 0.600 CB 1.189 11 residues pruned to eliminate duplicates Z: 182 145.523 2.538 1.160 0.683 0.939 0.569 CB 1.775 182 residues pruned to eliminate duplicates Z: 9 10.682 1.652 0.585 0.782 1.000 0.750 CB 1.125 9 residues pruned to eliminate duplicates Z: 20 36.753 2.272 0.793 0.805 1.000 0.737 CB 1.587 19 residues pruned to eliminate duplicates Z: 15 27.090 2.171 1.023 0.835 0.857 0.643 CB 1.440 15 residues pruned to eliminate duplicates Z: 26 59.845 2.584 0.926 0.840 0.960 0.760 CB 1.870 26 residues pruned to eliminate duplicates Z: 179 147.537 2.531 1.138 0.714 0.966 0.624 CB 1.742 179 residues pruned to eliminate duplicates Z: 38 54.339 2.346 0.873 0.686 0.946 0.811 CB 1.811 38 residues pruned to eliminate duplicates Z: 101 107.329 2.470 1.045 0.783 0.980 0.750 CB 1.690 101 residues pruned to eliminate duplicates Z: 94 83.100 2.447 1.014 0.569 0.925 0.452 CB 1.768 69 residues pruned to eliminate duplicates Z: 12 23.911 2.284 0.908 0.867 0.909 0.636 CB 1.331 12 residues pruned to eliminate duplicates Z: 18 34.203 2.194 1.080 0.866 0.882 0.529 CB 1.509 21 residues pruned to eliminate duplicates Z: 37 65.158 2.469 1.254 0.728 0.972 0.722 CB 1.634 37 residues pruned to eliminate duplicates Z: 21 28.771 2.072 0.850 0.872 0.950 0.650 CB 1.287 21 residues pruned to eliminate duplicates Z: 10 43.610 2.620 1.127 0.846 1.000 0.778 CB 1.939 10 residues pruned to eliminate duplicates Z: 18 55.335 2.392 1.508 0.873 0.941 0.294 CB 1.732 18 residues pruned to eliminate duplicates Z: 102 112.028 2.556 1.106 0.737 0.960 0.743 CB 1.742 102 residues pruned to eliminate duplicates Z: 19 34.354 2.309 1.027 0.857 0.889 0.556 CB 1.435 19 residues pruned to eliminate duplicates Z: 170 132.924 2.569 0.939 0.716 0.935 0.686 CB 1.805 170 residues pruned to eliminate duplicates Z: 20 49.001 2.288 1.165 0.857 1.000 0.737 CA 1.672 20 residues pruned to eliminate duplicates Z: 79 85.260 2.534 0.935 0.673 0.987 0.769 CB 1.700 79 residues pruned to eliminate duplicates Z: 17 50.827 2.356 1.359 0.913 0.938 0.188 CB 1.726 17 residues pruned to eliminate duplicates Z: 12 37.980 2.433 1.057 0.846 1.000 0.818 CA 1.701 12 residues pruned to eliminate duplicates Z: 51 71.601 2.372 0.988 0.754 1.000 0.720 CB 1.712 25 residues pruned to eliminate duplicates Z: 28 52.328 2.402 0.957 0.858 0.889 0.407 CB 1.775 28 residues pruned to eliminate duplicates Z: 179 140.784 2.493 1.125 0.698 0.955 0.618 CB 1.741 167 residues pruned to eliminate duplicates Z: 211 152.451 2.520 1.006 0.743 0.952 0.662 CB 1.758 211 residues pruned to eliminate duplicates Z: 7 5.903 1.854 0.098 0.673 0.833 0.500 CB 1.211 7 residues pruned to eliminate duplicates Z: 7 2.491 1.336 0.512 0.368 1.000 0.333 CB 0.580 Z: 27 28.479 2.166 0.949 0.623 0.885 0.654 CB 1.332 27 residues pruned to eliminate duplicates Z: 181 145.726 2.531 1.145 0.702 0.956 0.650 CB 1.741 181 residues pruned to eliminate duplicates Z: 27 66.951 2.386 1.299 0.927 0.962 0.500 CB 1.745 27 residues pruned to eliminate duplicates Z: 141 130.317 2.546 1.069 0.749 0.950 0.693 CB 1.762 141 residues pruned to eliminate duplicates Z: 19 27.826 2.305 0.553 0.847 0.889 0.833 CB 1.531 19 residues pruned to eliminate duplicates Z: 19 29.847 2.248 0.589 0.856 1.000 0.722 CB 1.452 19 residues pruned to eliminate duplicates Z: 203 161.005 2.563 1.066 0.766 0.950 0.698 CB 1.778 203 residues pruned to eliminate duplicates Z: 184 130.441 2.507 0.979 0.697 0.940 0.667 CB 1.728 184 residues pruned to eliminate duplicates Z: 179 134.907 2.493 1.108 0.685 0.944 0.674 CB 1.721 179 residues pruned to eliminate duplicates Z: 182 146.274 2.538 1.184 0.688 0.928 0.586 CB 1.779 182 residues pruned to eliminate duplicates Z: 6 7.345 1.662 0.999 0.416 0.800 0.600 C 1.349 Z: 180 145.314 2.525 1.144 0.701 0.961 0.592 CB 1.738 141 residues pruned to eliminate duplicates Z: 19 30.492 2.311 0.820 0.798 0.889 0.444 CB 1.481 19 residues pruned to eliminate duplicates Z: 18 41.221 2.312 1.224 0.889 1.000 0.824 CB 1.400 18 residues pruned to eliminate duplicates Z: 178 130.140 2.480 1.035 0.669 0.966 0.650 CB 1.716 178 residues pruned to eliminate duplicates Z: 8 15.787 1.961 0.746 0.764 0.857 0.429 CA 1.609 Z: 87 105.212 2.559 1.253 0.682 0.953 0.512 CB 1.746 87 residues pruned to eliminate duplicates 6 1.818 1.362 0.830 0.292 0.600 0.400 CB 0.687 ? Z: 153 136.209 2.504 1.156 0.738 0.974 0.632 CB 1.697 199 residues pruned to eliminate duplicates Z: 6 4.456 1.567 0.851 0.336 0.600 0.400 CB 1.370 Z: 70 71.379 2.482 0.964 0.691 0.899 0.551 CB 1.648 70 residues pruned to eliminate duplicates Z: 75 106.943 2.584 1.297 0.728 0.973 0.595 CB 1.753 75 residues pruned to eliminate duplicates Z: 184 135.094 2.499 1.096 0.703 0.934 0.639 CB 1.697 184 residues pruned to eliminate duplicates Z: 20 35.383 2.201 0.843 0.864 1.000 0.632 CB 1.468 Z: 17 34.737 2.545 0.946 0.890 0.812 0.688 CB 1.552 17 residues pruned to eliminate duplicates Z: 19 41.648 2.232 1.087 0.881 1.000 0.722 CB 1.526 19 residues pruned to eliminate duplicates Z: 31 87.021 2.501 1.509 0.947 1.000 0.400 CB 1.750 31 residues pruned to eliminate duplicates Z: 6 3.658 1.214 0.739 0.792 0.800 0.400 CB 0.750 Z: 51 61.018 2.431 0.975 0.566 0.980 0.680 CB 1.720 51 residues pruned to eliminate duplicates Z: 18 45.490 2.482 0.846 0.936 1.000 0.941 CB 1.677 18 residues pruned to eliminate duplicates Z: 7 16.809 2.018 0.709 0.843 1.000 0.667 CB 1.482 Z: 20 54.526 2.408 1.196 0.769 1.000 0.842 CA 1.865 20 residues pruned to eliminate duplicates Z: 7 4.343 1.425 0.338 0.398 1.000 0.833 CA 1.036 Z: 19 40.249 2.272 0.952 0.862 0.944 0.778 CB 1.664 18 residues pruned to eliminate duplicates Z: 7 6.990 1.710 0.099 0.871 1.000 0.833 CA 1.108 7 residues pruned to eliminate duplicates Z: 22 11.082 2.053 0.395 0.343 0.714 0.381 CB 1.402 22 residues pruned to eliminate duplicates Z: 133 122.631 2.503 1.129 0.725 0.955 0.674 CB 1.713 50 residues pruned to eliminate duplicates Z: 48 72.329 2.411 0.993 0.778 0.957 0.745 CB 1.794 22 residues pruned to eliminate duplicates Z: 122 119.259 2.516 1.217 0.692 0.950 0.579 CB 1.716 122 residues pruned to eliminate duplicates Z: 89 99.617 2.528 1.232 0.663 0.943 0.511 CB 1.716 89 residues pruned to eliminate duplicates Z: 32 49.387 2.430 0.566 0.931 0.968 0.774 CB 1.682 32 residues pruned to eliminate duplicates Z: 30 44.204 2.413 1.135 0.639 0.897 0.621 CB 1.560 30 residues pruned to eliminate duplicates Z: 178 136.902 2.505 1.112 0.659 0.966 0.638 CB 1.736 178 residues pruned to eliminate duplicates Z: 20 39.216 2.236 1.066 0.799 1.000 0.632 CB 1.499 19 residues pruned to eliminate duplicates Z: 96 109.695 2.563 1.038 0.772 0.979 0.768 CB 1.730 96 residues pruned to eliminate duplicates Z: 182 137.520 2.515 1.002 0.691 0.978 0.713 CB 1.743 182 residues pruned to eliminate duplicates Z: 31 52.571 2.477 0.642 0.907 0.967 0.867 CA 1.736 31 residues pruned to eliminate duplicates Z: 26 59.344 2.540 0.945 0.864 0.920 0.560 CA 1.916 26 residues pruned to eliminate duplicates Z: 25 49.071 2.462 1.009 0.817 0.875 0.667 CB 1.757 25 residues pruned to eliminate duplicates Z: 27 68.688 2.502 1.237 0.908 1.000 0.577 CB 1.709 27 residues pruned to eliminate duplicates Z: 64 57.786 2.465 0.789 0.518 0.905 0.571 CB 1.792 64 residues pruned to eliminate duplicates Z: 31 56.726 2.419 1.095 0.874 0.933 0.733 CB 1.593 31 residues pruned to eliminate duplicates Z: 94 114.892 2.521 1.081 0.794 0.989 0.796 CB 1.775 63 residues pruned to eliminate duplicates Z: 34 41.035 2.328 0.911 0.642 0.939 0.455 CB 1.497 80 residues pruned to eliminate duplicates Z: 8 8.177 1.781 0.703 0.759 0.857 0.571 CB 0.945 8 residues pruned to eliminate duplicates Z: 127 121.925 2.533 1.120 0.645 0.984 0.524 CB 1.795 127 residues pruned to eliminate duplicates Z: 20 26.767 2.083 0.470 0.853 0.947 0.895 CB 1.564 20 residues pruned to eliminate duplicates Z: 9 3.652 1.836 0.241 0.309 0.750 0.500 CB 0.934 Z: 21 58.594 2.569 1.122 0.855 0.950 0.850 CA 1.866 21 residues pruned to eliminate duplicates Z: 7 6.486 1.616 0.213 0.760 1.000 0.333 CB 1.071 Z: 14 57.883 2.674 1.383 0.841 1.000 0.692 CB 1.879 14 residues pruned to eliminate duplicates Z: 25 61.561 2.482 1.248 0.868 0.958 0.417 CB 1.718 25 residues pruned to eliminate duplicates Z: 9 16.991 2.270 1.184 0.815 0.750 0.250 CB 1.228 9 residues pruned to eliminate duplicates Z: 46 80.404 2.454 1.153 0.825 0.978 0.800 CB 1.751 Z: 70 77.695 2.525 0.913 0.685 0.957 0.478 CB 1.709 70 residues pruned to eliminate duplicates Z: 56 85.145 2.445 1.096 0.761 1.000 0.673 CB 1.776 56 residues pruned to eliminate duplicates Z: 41 82.076 2.471 1.127 0.794 1.000 0.775 CB 1.908 41 residues pruned to eliminate duplicates Z: 13 26.116 2.328 1.039 0.708 0.917 0.750 CB 1.434 13 residues pruned to eliminate duplicates Z: 6 12.697 2.380 0.930 0.739 0.800 0.600 CA 1.247 Z: 59 49.798 2.400 0.873 0.465 0.914 0.534 CB 1.650 68 residues pruned to eliminate duplicates Z: 100 97.650 2.491 1.029 0.708 0.970 0.636 CB 1.657 107 residues pruned to eliminate duplicates Z: 19 42.814 2.327 1.075 0.916 0.944 0.667 CB 1.563 19 residues pruned to eliminate duplicates Z: 90 99.737 2.559 1.042 0.699 0.966 0.562 CB 1.746 90 residues pruned to eliminate duplicates Z: 7 2.474 1.337 0.457 0.438 0.833 0.667 CB 0.663 Z: 18 55.282 2.320 1.479 0.897 1.000 0.294 CB 1.669 18 residues pruned to eliminate duplicates Z: 120 128.628 2.515 1.207 0.768 0.992 0.597 CB 1.690 120 residues pruned to eliminate duplicates Z: 182 151.496 2.567 1.154 0.688 0.956 0.613 CB 1.793 175 residues pruned to eliminate duplicates Z: 6 2.223 1.234 0.130 0.672 0.800 0.600 O 0.761 Z: 176 138.749 2.508 1.125 0.705 0.954 0.646 CB 1.712 176 residues pruned to eliminate duplicates Z: 12 17.201 2.197 0.785 0.830 0.818 0.455 CB 1.215 12 residues pruned to eliminate duplicates Z: 19 22.200 2.178 0.561 0.806 0.778 0.333 CB 1.515 19 residues pruned to eliminate duplicates Z: 40 33.050 2.302 0.789 0.438 0.872 0.513 CB 1.571 40 residues pruned to eliminate duplicates Z: 19 32.573 2.205 0.700 0.857 1.000 0.722 CA 1.509 19 residues pruned to eliminate duplicates Z: 28 55.144 2.418 0.808 0.913 1.000 0.852 CB 1.717 28 residues pruned to eliminate duplicates Z: 32 54.025 2.285 1.075 0.756 1.000 0.742 CB 1.630 32 residues pruned to eliminate duplicates Z: 59 54.674 2.306 0.959 0.585 0.948 0.672 CB 1.545 60 residues pruned to eliminate duplicates Z: 29 81.083 2.518 1.560 0.961 1.000 0.321 CB 1.626 29 residues pruned to eliminate duplicates Z: 185 123.501 2.506 0.929 0.671 0.929 0.668 CB 1.731 185 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 185 135.105 2.549 1.028 0.665 0.940 0.663 CB 1.759 185 residues pruned to eliminate duplicates Z: 67 75.338 2.579 0.890 0.626 0.939 0.576 CB 1.798 67 residues pruned to eliminate duplicates Z: 182 147.726 2.555 1.115 0.679 0.972 0.597 CB 1.773 182 residues pruned to eliminate duplicates Z: 112 103.090 2.533 1.002 0.618 0.955 0.604 CB 1.808 112 residues pruned to eliminate duplicates Z: 179 134.897 2.526 1.114 0.652 0.933 0.584 CB 1.763 179 residues pruned to eliminate duplicates Z: 182 140.441 2.563 1.063 0.680 0.939 0.641 CB 1.781 182 residues pruned to eliminate duplicates Z: 184 140.689 2.554 1.077 0.680 0.934 0.667 CB 1.778 184 residues pruned to eliminate duplicates Z: 78 81.970 2.517 0.962 0.639 0.961 0.688 CB 1.729 78 residues pruned to eliminate duplicates Z: 72 77.809 2.502 1.008 0.602 0.958 0.592 CB 1.741 72 residues pruned to eliminate duplicates Z: 177 146.038 2.573 1.084 0.681 0.972 0.699 CB 1.789 177 residues pruned to eliminate duplicates Z: 145 122.313 2.538 1.015 0.695 0.951 0.681 CB 1.753 145 residues pruned to eliminate duplicates Z: 120 112.897 2.529 0.984 0.697 0.966 0.731 CB 1.783 120 residues pruned to eliminate duplicates Z: 181 140.617 2.555 1.016 0.691 0.961 0.672 CB 1.779 181 residues pruned to eliminate duplicates Z: 104 104.755 2.553 0.964 0.685 0.981 0.718 CB 1.771 104 residues pruned to eliminate duplicates Z: 181 139.977 2.544 1.009 0.699 0.961 0.700 CB 1.772 118 residues pruned to eliminate duplicates Z: 6 6.574 1.913 0.501 0.309 1.000 0.400 CA 1.266 Z: 6 13.962 2.414 0.544 0.545 1.000 0.400 CB 1.603 4 residues pruned to eliminate duplicates Z: 6 7.160 1.984 0.617 0.338 1.000 0.400 CA 1.191 6 residues pruned to eliminate duplicates Z: 132 127.548 2.592 1.067 0.726 0.947 0.740 CB 1.792 140 residues pruned to eliminate duplicates Z: 184 147.173 2.572 1.097 0.699 0.951 0.667 CB 1.769 184 residues pruned to eliminate duplicates Z: 143 112.658 2.507 0.959 0.658 0.965 0.697 CB 1.723 143 residues pruned to eliminate duplicates Z: 120 115.424 2.522 1.010 0.706 0.966 0.773 CB 1.790 120 residues pruned to eliminate duplicates Z: 141 127.086 2.559 1.065 0.702 0.964 0.721 CB 1.753 141 residues pruned to eliminate duplicates Z: 181 135.851 2.517 1.042 0.671 0.933 0.672 CB 1.803 181 residues pruned to eliminate duplicates Z: 183 142.506 2.549 1.001 0.698 0.978 0.621 CB 1.767 183 residues pruned to eliminate duplicates Z: 184 139.197 2.564 1.014 0.675 0.951 0.645 CB 1.783 184 residues pruned to eliminate duplicates Z: 181 135.982 2.568 0.926 0.707 0.944 0.694 CB 1.798 181 residues pruned to eliminate duplicates Z: 142 132.956 2.559 1.120 0.701 0.986 0.709 CB 1.744 142 residues pruned to eliminate duplicates Z: 130 136.092 2.596 1.190 0.742 0.953 0.752 CB 1.780 130 residues pruned to eliminate duplicates Z: 142 130.094 2.567 1.075 0.700 0.979 0.681 CB 1.751 142 residues pruned to eliminate duplicates Z: 105 119.161 2.583 1.086 0.751 0.962 0.846 CB 1.803 105 residues pruned to eliminate duplicates Z: 57 83.434 2.586 1.116 0.678 0.964 0.679 CB 1.795 57 residues pruned to eliminate duplicates Z: 182 146.976 2.563 1.056 0.694 0.961 0.674 CB 1.807 182 residues pruned to eliminate duplicates Z: 182 136.174 2.520 1.014 0.671 0.967 0.691 CB 1.762 182 residues pruned to eliminate duplicates Z: 185 137.127 2.538 1.029 0.707 0.929 0.652 CB 1.749 185 residues pruned to eliminate duplicates Z: 79 84.000 2.536 0.952 0.660 0.962 0.705 CB 1.723 79 residues pruned to eliminate duplicates Z: 180 145.241 2.550 1.107 0.684 0.961 0.693 CB 1.775 180 residues pruned to eliminate duplicates Z: 183 139.308 2.552 1.043 0.689 0.940 0.654 CB 1.772 183 residues pruned to eliminate duplicates Z: 66 91.588 2.625 1.043 0.717 0.969 0.738 CB 1.797 66 residues pruned to eliminate duplicates Z: 181 149.036 2.566 1.102 0.676 0.983 0.606 CB 1.781 144 residues pruned to eliminate duplicates Z: 11 36.143 2.385 1.185 0.841 1.000 0.900 CB 1.635 11 residues pruned to eliminate duplicates Z: 116 101.648 2.535 0.986 0.599 0.948 0.530 CB 1.808 116 residues pruned to eliminate duplicates Z: 152 118.346 2.522 0.999 0.690 0.934 0.702 CB 1.718 152 residues pruned to eliminate duplicates Z: 143 131.034 2.560 1.110 0.696 0.965 0.725 CB 1.764 143 residues pruned to eliminate duplicates Z: 182 139.327 2.563 1.013 0.686 0.945 0.691 CB 1.792 182 residues pruned to eliminate duplicates Z: 180 146.066 2.564 1.079 0.686 0.966 0.715 CB 1.787 180 residues pruned to eliminate duplicates Z: 180 151.104 2.577 1.097 0.696 0.961 0.698 CB 1.818 64 residues pruned to eliminate duplicates Z: 13 44.318 2.621 1.286 0.654 1.000 0.583 CB 1.850 13 residues pruned to eliminate duplicates Z: 69 79.097 2.542 1.064 0.594 0.941 0.544 CB 1.776 69 residues pruned to eliminate duplicates Z: 182 142.725 2.570 1.025 0.711 0.945 0.652 CB 1.781 182 residues pruned to eliminate duplicates Z: 182 146.052 2.559 1.104 0.688 0.945 0.746 CB 1.796 182 residues pruned to eliminate duplicates Z: 143 132.357 2.543 1.135 0.703 0.972 0.655 CB 1.749 143 residues pruned to eliminate duplicates Z: 66 91.239 2.609 1.076 0.715 0.969 0.677 CB 1.774 66 residues pruned to eliminate duplicates Z: 185 138.224 2.538 0.998 0.701 0.946 0.647 CB 1.769 185 residues pruned to eliminate duplicates Z: 182 147.388 2.553 1.061 0.696 0.967 0.674 CB 1.800 182 residues pruned to eliminate duplicates Z: 79 93.990 2.549 1.112 0.668 0.974 0.667 CB 1.737 79 residues pruned to eliminate duplicates Z: 181 151.554 2.560 1.139 0.702 0.956 0.689 CB 1.797 181 residues pruned to eliminate duplicates Z: 65 95.250 2.606 1.187 0.711 0.984 0.672 CB 1.753 65 residues pruned to eliminate duplicates Z: 181 149.667 2.564 1.129 0.703 0.956 0.661 CB 1.778 181 residues pruned to eliminate duplicates Z: 123 113.847 2.544 1.044 0.656 0.967 0.566 CB 1.773 113 residues pruned to eliminate duplicates Z: 30 65.600 2.534 1.105 0.908 0.966 0.552 CB 1.680 30 residues pruned to eliminate duplicates Z: 34 75.424 2.565 1.324 0.847 0.939 0.576 CB 1.740 34 residues pruned to eliminate duplicates Z: 106 122.884 2.577 1.146 0.744 0.981 0.648 CB 1.777 106 residues pruned to eliminate duplicates Z: 145 129.939 2.545 1.121 0.679 0.972 0.611 CB 1.750 145 residues pruned to eliminate duplicates Z: 184 151.854 2.554 1.156 0.708 0.956 0.601 CB 1.765 184 residues pruned to eliminate duplicates Z: 131 117.006 2.528 1.181 0.650 0.946 0.585 CB 1.710 131 residues pruned to eliminate duplicates Z: 228 165.407 2.550 1.121 0.716 0.947 0.665 CB 1.762 228 residues pruned to eliminate duplicates Z: 184 144.572 2.550 1.133 0.704 0.945 0.530 CB 1.727 184 residues pruned to eliminate duplicates Z: 184 142.303 2.559 1.078 0.702 0.934 0.579 CB 1.761 184 residues pruned to eliminate duplicates Z: 183 146.343 2.549 1.114 0.690 0.956 0.588 CB 1.768 183 residues pruned to eliminate duplicates Z: 182 152.998 2.573 1.138 0.705 0.967 0.646 CB 1.775 182 residues pruned to eliminate duplicates Z: 146 138.554 2.546 1.244 0.691 0.972 0.593 CB 1.739 146 residues pruned to eliminate duplicates Z: 47 79.788 2.487 1.193 0.737 0.978 0.674 CB 1.782 47 residues pruned to eliminate duplicates Z: 119 126.368 2.543 1.215 0.712 0.983 0.593 CB 1.734 119 residues pruned to eliminate duplicates Z: 188 141.079 2.530 1.137 0.696 0.936 0.556 CB 1.706 188 residues pruned to eliminate duplicates Z: 182 144.882 2.532 1.134 0.684 0.950 0.530 CB 1.771 182 residues pruned to eliminate duplicates Z: 130 118.287 2.504 1.177 0.657 0.977 0.612 CB 1.690 130 residues pruned to eliminate duplicates Z: 154 137.525 2.568 1.160 0.715 0.954 0.588 CB 1.729 154 residues pruned to eliminate duplicates Z: 180 153.230 2.548 1.183 0.696 0.966 0.575 CB 1.781 162 residues pruned to eliminate duplicates Z: 32 73.740 2.550 1.516 0.881 0.903 0.387 CB 1.655 32 residues pruned to eliminate duplicates Z: 49 102.428 2.554 1.481 0.827 1.000 0.625 CB 1.758 49 residues pruned to eliminate duplicates Z: 141 139.606 2.563 1.289 0.698 0.971 0.607 CB 1.728 141 residues pruned to eliminate duplicates Z: 182 148.149 2.534 1.229 0.686 0.945 0.569 CB 1.741 182 residues pruned to eliminate duplicates Z: 182 150.583 2.567 1.209 0.684 0.945 0.591 CB 1.765 182 residues pruned to eliminate duplicates Z: 56 98.969 2.545 1.288 0.839 0.982 0.673 CB 1.743 56 residues pruned to eliminate duplicates Z: 182 149.372 2.563 1.144 0.690 0.967 0.586 CB 1.756 182 residues pruned to eliminate duplicates Z: 146 128.579 2.532 1.186 0.688 0.952 0.566 CB 1.706 146 residues pruned to eliminate duplicates Z: 183 152.425 2.564 1.187 0.696 0.951 0.610 CB 1.771 183 residues pruned to eliminate duplicates Z: 184 148.321 2.562 1.215 0.699 0.929 0.590 CB 1.735 184 residues pruned to eliminate duplicates Z: 107 125.465 2.565 1.295 0.743 0.962 0.557 CB 1.732 107 residues pruned to eliminate duplicates Z: 172 152.551 2.581 1.221 0.720 0.942 0.526 CB 1.773 172 residues pruned to eliminate duplicates Z: 183 143.820 2.551 1.084 0.696 0.951 0.610 CB 1.764 183 residues pruned to eliminate duplicates Z: 131 145.557 2.600 1.353 0.728 0.977 0.654 CB 1.739 131 residues pruned to eliminate duplicates Z: 144 137.593 2.539 1.319 0.698 0.951 0.476 CB 1.715 144 residues pruned to eliminate duplicates Z: 185 137.202 2.534 1.192 0.681 0.908 0.505 CB 1.699 185 residues pruned to eliminate duplicates Z: 185 143.240 2.539 1.210 0.697 0.924 0.625 CB 1.703 185 residues pruned to eliminate duplicates Z: 182 153.917 2.557 1.191 0.703 0.961 0.630 CB 1.766 182 residues pruned to eliminate duplicates Z: 141 143.228 2.575 1.297 0.706 0.986 0.579 CB 1.721 141 residues pruned to eliminate duplicates Z: 182 154.637 2.544 1.213 0.699 0.961 0.536 CB 1.770 182 residues pruned to eliminate duplicates Z: 181 151.948 2.566 1.202 0.688 0.950 0.583 CB 1.775 181 residues pruned to eliminate duplicates Z: 118 123.359 2.544 1.220 0.711 0.966 0.547 CB 1.727 118 residues pruned to eliminate duplicates Z: 231 163.631 2.525 1.126 0.720 0.943 0.652 CB 1.746 113 residues pruned to eliminate duplicates Z: 26 74.031 2.526 1.284 0.948 1.000 0.880 CB 1.772 26 residues pruned to eliminate duplicates Z: 76 105.143 2.521 1.333 0.761 0.960 0.533 CB 1.705 76 residues pruned to eliminate duplicates Z: 182 139.887 2.538 1.133 0.684 0.928 0.519 CB 1.748 182 residues pruned to eliminate duplicates Z: 181 153.004 2.556 1.175 0.690 0.978 0.572 CB 1.763 181 residues pruned to eliminate duplicates Z: 184 144.141 2.545 1.154 0.670 0.945 0.530 CB 1.758 184 residues pruned to eliminate duplicates Z: 55 84.283 2.529 1.255 0.728 0.981 0.593 CB 1.669 55 residues pruned to eliminate duplicates Z: 129 142.410 2.593 1.319 0.739 0.961 0.648 CB 1.758 129 residues pruned to eliminate duplicates Z: 228 157.597 2.526 1.061 0.708 0.960 0.599 CB 1.732 228 residues pruned to eliminate duplicates Z: 181 141.650 2.554 1.168 0.691 0.917 0.583 CB 1.746 181 residues pruned to eliminate duplicates Z: 182 149.356 2.549 1.171 0.687 0.956 0.602 CB 1.768 182 residues pruned to eliminate duplicates Z: 184 147.238 2.541 1.158 0.687 0.951 0.568 CB 1.759 184 residues pruned to eliminate duplicates Z: 182 154.659 2.581 1.177 0.696 0.961 0.564 CB 1.779 182 residues pruned to eliminate duplicates Z: 72 94.676 2.561 1.153 0.751 0.944 0.493 CB 1.726 72 residues pruned to eliminate duplicates Z: 182 148.285 2.563 1.126 0.687 0.967 0.586 CB 1.763 182 residues pruned to eliminate duplicates Z: 71 87.237 2.497 1.144 0.718 0.929 0.571 CB 1.723 71 residues pruned to eliminate duplicates Z: 151 138.286 2.543 1.154 0.715 0.953 0.560 CB 1.780 151 residues pruned to eliminate duplicates Z: 185 148.980 2.564 1.133 0.686 0.962 0.549 CB 1.760 185 residues pruned to eliminate duplicates Z: 143 136.609 2.553 1.252 0.706 0.958 0.585 CB 1.727 142 residues pruned to eliminate duplicates Z: 17 53.302 2.550 1.030 0.929 1.000 0.812 CB 1.802 17 residues pruned to eliminate duplicates Z: 143 138.659 2.559 1.222 0.706 0.972 0.627 CB 1.745 143 residues pruned to eliminate duplicates Z: 31 59.239 2.566 1.223 0.652 0.967 0.700 CB 1.702 31 residues pruned to eliminate duplicates Z: 171 147.085 2.577 1.136 0.707 0.959 0.576 CB 1.770 171 residues pruned to eliminate duplicates Z: 143 133.066 2.548 1.263 0.702 0.937 0.535 CB 1.721 143 residues pruned to eliminate duplicates Z: 35 49.189 2.452 1.177 0.622 0.912 0.618 CB 1.544 35 residues pruned to eliminate duplicates Z: 184 153.403 2.566 1.169 0.702 0.962 0.536 CB 1.762 184 residues pruned to eliminate duplicates Z: 183 143.695 2.553 1.089 0.693 0.956 0.599 CB 1.751 183 residues pruned to eliminate duplicates Z: 178 146.792 2.559 1.140 0.684 0.960 0.588 CB 1.771 178 residues pruned to eliminate duplicates Z: 183 148.563 2.561 1.134 0.679 0.956 0.588 CB 1.788 183 residues pruned to eliminate duplicates Z: 64 80.024 2.575 0.971 0.716 0.937 0.556 CB 1.744 64 residues pruned to eliminate duplicates Z: 146 142.587 2.569 1.209 0.727 0.966 0.552 CB 1.762 146 residues pruned to eliminate duplicates Z: 183 141.981 2.550 1.116 0.683 0.945 0.566 CB 1.744 160 residues pruned to eliminate duplicates Z: 19 57.250 2.521 1.220 0.917 0.944 0.667 CA 1.802 19 residues pruned to eliminate duplicates Z: 74 89.361 2.503 1.069 0.738 0.945 0.534 CB 1.725 74 residues pruned to eliminate duplicates Z: 181 150.153 2.571 1.164 0.680 0.950 0.544 CB 1.794 181 residues pruned to eliminate duplicates Z: 20 38.428 2.457 0.903 0.725 0.842 0.526 CB 1.828 20 residues pruned to eliminate duplicates Z: 119 111.163 2.510 1.053 0.666 0.949 0.636 CB 1.794 119 residues pruned to eliminate duplicates Z: 184 156.118 2.571 1.198 0.706 0.951 0.596 CB 1.781 184 residues pruned to eliminate duplicates Z: 44 59.801 2.497 0.916 0.624 0.930 0.651 CB 1.823 26 residues pruned to eliminate duplicates Z: 28 63.703 2.412 1.079 0.859 0.963 0.593 CA 1.868 28 residues pruned to eliminate duplicates Z: 183 156.812 2.571 1.194 0.695 0.967 0.533 CB 1.783 183 residues pruned to eliminate duplicates Z: 181 151.862 2.556 1.218 0.693 0.961 0.556 CB 1.741 181 residues pruned to eliminate duplicates Z: 45 49.881 2.464 0.988 0.562 0.818 0.614 CB 1.767 45 residues pruned to eliminate duplicates Z: 183 158.048 2.561 1.258 0.698 0.962 0.577 CB 1.758 183 residues pruned to eliminate duplicates Z: 185 156.231 2.552 1.197 0.703 0.973 0.576 CB 1.755 185 residues pruned to eliminate duplicates Z: 46 62.058 2.529 0.940 0.623 0.933 0.489 CB 1.798 46 residues pruned to eliminate duplicates Z: 185 152.909 2.562 1.211 0.685 0.951 0.630 CB 1.765 185 residues pruned to eliminate duplicates Z: 46 62.377 2.517 0.924 0.660 0.911 0.533 CB 1.816 46 residues pruned to eliminate duplicates Z: 184 159.761 2.575 1.205 0.701 0.973 0.536 CB 1.780 184 residues pruned to eliminate duplicates Z: 180 146.586 2.561 1.168 0.686 0.939 0.520 CB 1.772 180 residues pruned to eliminate duplicates Z: 183 155.642 2.574 1.197 0.682 0.967 0.593 CB 1.785 183 residues pruned to eliminate duplicates Z: 180 147.518 2.543 1.225 0.672 0.944 0.547 CB 1.761 180 residues pruned to eliminate duplicates Z: 26 42.374 2.507 0.925 0.530 0.920 0.720 CB 1.854 26 residues pruned to eliminate duplicates Z: 179 140.074 2.543 1.105 0.677 0.949 0.556 CB 1.756 179 residues pruned to eliminate duplicates Z: 182 161.162 2.581 1.193 0.704 0.978 0.613 CB 1.797 182 residues pruned to eliminate duplicates Z: 183 159.804 2.578 1.193 0.701 0.978 0.604 CB 1.784 183 residues pruned to eliminate duplicates Z: 45 71.576 2.553 1.016 0.673 0.955 0.568 CB 1.872 45 residues pruned to eliminate duplicates Z: 183 153.857 2.565 1.220 0.691 0.940 0.582 CB 1.790 183 residues pruned to eliminate duplicates Z: 185 146.604 2.549 1.134 0.690 0.946 0.560 CB 1.766 185 residues pruned to eliminate duplicates Z: 184 151.072 2.553 1.165 0.694 0.956 0.639 CB 1.770 184 residues pruned to eliminate duplicates Z: 91 96.581 2.462 1.087 0.694 0.944 0.644 CB 1.757 91 residues pruned to eliminate duplicates Z: 184 156.108 2.567 1.197 0.693 0.962 0.596 CB 1.783 184 residues pruned to eliminate duplicates Z: 183 148.758 2.553 1.186 0.679 0.956 0.538 CB 1.753 183 residues pruned to eliminate duplicates Z: 182 139.869 2.527 1.166 0.665 0.939 0.536 CB 1.737 182 residues pruned to eliminate duplicates Z: 184 152.957 2.565 1.169 0.694 0.973 0.574 CB 1.750 184 residues pruned to eliminate duplicates Z: 228 167.326 2.529 1.141 0.704 0.965 0.595 CB 1.766 228 residues pruned to eliminate duplicates Z: 45 69.614 2.483 1.091 0.626 0.932 0.545 CB 1.926 45 residues pruned to eliminate duplicates Z: 232 172.976 2.533 1.163 0.711 0.974 0.580 CB 1.760 232 residues pruned to eliminate duplicates Z: 35 64.312 2.626 0.968 0.667 0.971 0.676 CB 1.883 35 residues pruned to eliminate duplicates Z: 43 65.202 2.481 0.979 0.660 0.952 0.571 CA 1.854 43 residues pruned to eliminate duplicates Z: 183 161.192 2.579 1.204 0.704 0.978 0.665 CB 1.784 183 residues pruned to eliminate duplicates Z: 169 152.567 2.586 1.174 0.710 0.970 0.619 CB 1.783 169 residues pruned to eliminate duplicates Z: 182 140.465 2.552 1.004 0.684 0.967 0.613 CB 1.783 182 residues pruned to eliminate duplicates Z: 179 142.646 2.547 1.140 0.662 0.955 0.517 CB 1.768 179 residues pruned to eliminate duplicates Z: 59 64.070 2.393 0.923 0.585 0.948 0.534 CB 1.777 59 residues pruned to eliminate duplicates Z: 158 125.202 2.537 1.041 0.692 0.924 0.669 CB 1.753 158 residues pruned to eliminate duplicates Z: 181 142.802 2.546 1.054 0.683 0.961 0.556 CB 1.790 181 residues pruned to eliminate duplicates Z: 186 140.069 2.506 1.149 0.671 0.935 0.632 CB 1.747 186 residues pruned to eliminate duplicates Z: 81 93.607 2.506 1.046 0.718 0.925 0.637 CB 1.812 81 residues pruned to eliminate duplicates Z: 92 91.061 2.444 0.938 0.713 0.945 0.681 CB 1.758 92 residues pruned to eliminate duplicates Z: 45 73.931 2.430 1.022 0.812 0.977 0.750 CB 1.769 45 residues pruned to eliminate duplicates Z: 47 73.182 2.382 1.069 0.795 0.978 0.717 CB 1.729 47 residues pruned to eliminate duplicates Z: 51 68.826 2.343 1.102 0.767 0.940 0.720 CB 1.659 49 residues pruned to eliminate duplicates Z: 19 40.919 2.191 1.232 0.831 0.944 0.722 CB 1.569 21 residues pruned to eliminate duplicates Z: 18 38.688 2.353 0.946 0.853 1.000 0.824 CB 1.515 18 residues pruned to eliminate duplicates Z: 89 94.815 2.496 0.931 0.713 0.943 0.670 CB 1.833 89 residues pruned to eliminate duplicates Z: 46 76.257 2.435 1.118 0.825 0.956 0.711 CB 1.741 46 residues pruned to eliminate duplicates Z: 230 165.701 2.534 1.128 0.709 0.956 0.598 CB 1.757 230 residues pruned to eliminate duplicates Z: 229 178.585 2.551 1.212 0.720 0.974 0.627 CB 1.765 229 residues pruned to eliminate duplicates Z: 47 72.082 2.403 1.076 0.794 0.978 0.696 CB 1.684 47 residues pruned to eliminate duplicates Z: 46 72.410 2.456 1.047 0.790 0.956 0.800 CB 1.742 46 residues pruned to eliminate duplicates Z: 218 171.362 2.546 1.173 0.726 0.959 0.627 CB 1.790 218 residues pruned to eliminate duplicates Z: 50 70.126 2.361 1.122 0.772 0.980 0.653 CB 1.605 50 residues pruned to eliminate duplicates Z: 46 76.837 2.455 1.128 0.798 0.956 0.711 CB 1.768 46 residues pruned to eliminate duplicates Z: 222 149.913 2.480 1.177 0.671 0.932 0.548 CB 1.712 222 residues pruned to eliminate duplicates Z: 46 77.676 2.461 1.076 0.811 0.978 0.644 CB 1.768 46 residues pruned to eliminate duplicates Z: 111 113.370 2.495 1.147 0.714 0.973 0.591 CB 1.708 111 residues pruned to eliminate duplicates Z: 47 82.236 2.452 1.266 0.793 0.978 0.696 CB 1.724 48 residues pruned to eliminate duplicates Z: 16 43.520 2.529 0.770 0.813 1.000 0.733 CB 1.911 16 residues pruned to eliminate duplicates Z: 34 63.922 2.485 0.994 0.811 1.000 0.758 CB 1.713 34 residues pruned to eliminate duplicates Z: 47 77.673 2.437 1.196 0.793 0.978 0.717 CB 1.691 47 residues pruned to eliminate duplicates Z: 46 73.974 2.430 1.095 0.808 1.000 0.689 CB 1.656 46 residues pruned to eliminate duplicates Z: 47 83.286 2.447 1.364 0.799 0.978 0.674 CB 1.672 47 residues pruned to eliminate duplicates Z: 25 66.336 2.503 1.009 0.936 1.000 0.792 CB 1.876 25 residues pruned to eliminate duplicates Z: 47 76.596 2.456 1.319 0.774 0.957 0.522 CB 1.628 47 residues pruned to eliminate duplicates Z: 229 179.745 2.549 1.217 0.720 0.982 0.596 CB 1.757 229 residues pruned to eliminate duplicates Z: 230 171.911 2.543 1.185 0.710 0.965 0.576 CB 1.752 230 residues pruned to eliminate duplicates Z: 47 83.328 2.441 1.330 0.790 0.978 0.609 CB 1.712 47 residues pruned to eliminate duplicates Z: 56 81.998 2.471 1.253 0.775 0.945 0.527 CB 1.647 56 residues pruned to eliminate duplicates Z: 82 99.641 2.509 1.127 0.705 0.963 0.593 CB 1.788 82 residues pruned to eliminate duplicates Z: 48 81.314 2.404 1.383 0.797 0.979 0.511 CB 1.631 48 residues pruned to eliminate duplicates Z: 84 95.164 2.490 1.135 0.701 0.928 0.542 CB 1.765 84 residues pruned to eliminate duplicates Z: 52 75.655 2.354 1.348 0.754 0.961 0.471 CB 1.591 52 residues pruned to eliminate duplicates Z: 227 165.993 2.534 1.222 0.691 0.951 0.544 CB 1.730 227 residues pruned to eliminate duplicates Z: 45 80.923 2.476 1.409 0.800 0.955 0.500 CB 1.648 48 residues pruned to eliminate duplicates Z: 26 80.286 2.505 1.502 0.905 0.960 0.560 CB 1.899 25 residues pruned to eliminate duplicates Z: 24 82.804 2.546 1.611 0.941 0.957 0.391 CB 1.884 24 residues pruned to eliminate duplicates Z: 24 51.666 2.379 1.356 0.881 0.826 0.130 CB 1.685 24 residues pruned to eliminate duplicates Z: 88 97.536 2.457 1.229 0.689 0.931 0.552 CB 1.725 87 residues pruned to eliminate duplicates Z: 23 71.417 2.483 1.440 0.912 0.955 0.182 CB 1.864 23 residues pruned to eliminate duplicates Z: 171 138.632 2.540 1.008 0.732 0.971 0.694 CB 1.743 171 residues pruned to eliminate duplicates Z: 184 133.290 2.520 0.971 0.708 0.945 0.678 CB 1.737 184 residues pruned to eliminate duplicates Z: 161 121.089 2.497 0.943 0.693 0.944 0.688 CB 1.752 161 residues pruned to eliminate duplicates Z: 181 140.982 2.503 1.028 0.698 0.983 0.700 CB 1.758 158 residues pruned to eliminate duplicates Z: 22 47.522 2.464 0.851 0.853 1.000 0.714 CA 1.679 22 residues pruned to eliminate duplicates Z: 180 139.993 2.515 1.035 0.699 0.972 0.698 CB 1.753 180 residues pruned to eliminate duplicates Z: 182 131.161 2.505 1.004 0.685 0.939 0.663 CB 1.746 182 residues pruned to eliminate duplicates Z: 185 131.131 2.487 1.007 0.694 0.951 0.641 CB 1.706 185 residues pruned to eliminate duplicates Z: 119 103.564 2.481 0.956 0.696 0.949 0.771 CB 1.730 119 residues pruned to eliminate duplicates Z: 184 134.238 2.513 0.996 0.704 0.940 0.667 CB 1.749 142 residues pruned to eliminate duplicates Z: 21 62.441 2.599 1.090 0.890 1.000 0.800 CA 1.850 21 residues pruned to eliminate duplicates Z: 181 142.423 2.521 1.030 0.705 0.972 0.761 CB 1.771 181 residues pruned to eliminate duplicates Z: 136 117.609 2.489 1.095 0.714 0.956 0.704 CB 1.674 136 residues pruned to eliminate duplicates Z: 184 139.632 2.529 1.006 0.708 0.962 0.710 CB 1.751 184 residues pruned to eliminate duplicates Z: 22 52.361 2.529 0.908 0.881 0.952 0.905 CA 1.801 22 residues pruned to eliminate duplicates Z: 131 123.506 2.528 1.091 0.731 0.946 0.738 CB 1.760 131 residues pruned to eliminate duplicates Z: 58 84.370 2.592 1.080 0.688 0.982 0.772 CB 1.775 58 residues pruned to eliminate duplicates Z: 172 150.315 2.550 1.112 0.739 0.971 0.673 CB 1.775 172 residues pruned to eliminate duplicates Z: 132 130.916 2.520 1.181 0.726 0.977 0.802 CB 1.738 132 residues pruned to eliminate duplicates Z: 173 140.504 2.539 1.104 0.730 0.959 0.657 CB 1.699 173 residues pruned to eliminate duplicates Z: 142 122.236 2.518 1.052 0.713 0.965 0.752 CB 1.702 142 residues pruned to eliminate duplicates Z: 181 148.023 2.522 1.093 0.711 0.983 0.689 CB 1.755 66 residues pruned to eliminate duplicates Z: 12 22.793 2.254 1.058 0.820 0.909 0.818 CB 1.235 12 residues pruned to eliminate duplicates Z: 180 126.128 2.477 0.986 0.667 0.961 0.676 CB 1.709 180 residues pruned to eliminate duplicates Z: 110 110.350 2.491 1.007 0.745 0.982 0.789 CB 1.731 110 residues pruned to eliminate duplicates Z: 184 133.667 2.514 1.024 0.700 0.929 0.639 CB 1.741 184 residues pruned to eliminate duplicates Z: 184 141.299 2.514 1.072 0.709 0.967 0.661 CB 1.714 118 residues pruned to eliminate duplicates Z: 12 27.973 2.257 1.095 0.849 0.909 0.636 CB 1.455 12 residues pruned to eliminate duplicates Z: 168 137.544 2.517 1.114 0.717 0.952 0.707 CB 1.726 168 residues pruned to eliminate duplicates Z: 104 109.052 2.500 1.096 0.689 0.981 0.680 CB 1.759 104 residues pruned to eliminate duplicates Z: 106 117.275 2.532 1.085 0.746 0.981 0.724 CB 1.774 106 residues pruned to eliminate duplicates Z: 130 126.025 2.543 1.143 0.731 0.961 0.682 CB 1.721 130 residues pruned to eliminate duplicates Z: 184 134.342 2.512 1.035 0.692 0.934 0.650 CB 1.744 184 residues pruned to eliminate duplicates Z: 64 93.735 2.506 1.160 0.796 0.968 0.825 CB 1.739 64 residues pruned to eliminate duplicates Z: 130 127.998 2.538 1.134 0.726 0.969 0.760 CB 1.751 130 residues pruned to eliminate duplicates Z: 142 126.294 2.502 1.098 0.700 0.979 0.688 CB 1.725 142 residues pruned to eliminate duplicates Z: 147 123.224 2.486 1.098 0.688 0.959 0.664 CB 1.716 147 residues pruned to eliminate duplicates Z: 119 114.769 2.495 1.095 0.704 0.975 0.678 CB 1.723 119 residues pruned to eliminate duplicates Z: 183 139.525 2.511 1.056 0.720 0.956 0.626 CB 1.717 183 residues pruned to eliminate duplicates Z: 179 131.740 2.493 1.057 0.679 0.961 0.567 CB 1.701 179 residues pruned to eliminate duplicates Z: 106 123.727 2.539 1.192 0.746 0.981 0.695 CB 1.774 106 residues pruned to eliminate duplicates Z: 181 140.368 2.528 1.053 0.688 0.972 0.678 CB 1.747 181 residues pruned to eliminate duplicates Z: 118 119.403 2.490 1.169 0.705 0.974 0.709 CB 1.740 118 residues pruned to eliminate duplicates Z: 172 147.993 2.551 1.171 0.725 0.959 0.614 CB 1.739 172 residues pruned to eliminate duplicates Z: 181 150.527 2.534 1.184 0.693 0.967 0.667 CB 1.758 181 residues pruned to eliminate duplicates Z: 185 143.353 2.512 1.127 0.701 0.957 0.641 CB 1.722 185 residues pruned to eliminate duplicates Z: 184 146.404 2.516 1.180 0.704 0.951 0.645 CB 1.724 184 residues pruned to eliminate duplicates Z: 181 148.314 2.525 1.123 0.702 0.972 0.644 CB 1.765 181 residues pruned to eliminate duplicates Z: 182 142.234 2.513 1.090 0.706 0.961 0.674 CB 1.737 182 residues pruned to eliminate duplicates Z: 107 126.423 2.535 1.277 0.744 0.981 0.651 CB 1.743 107 residues pruned to eliminate duplicates Z: 158 124.861 2.491 1.104 0.680 0.949 0.631 CB 1.697 158 residues pruned to eliminate duplicates Z: 182 135.840 2.500 1.128 0.691 0.945 0.674 CB 1.686 182 residues pruned to eliminate duplicates Z: 119 115.884 2.501 1.181 0.696 0.966 0.602 CB 1.692 119 residues pruned to eliminate duplicates Z: 172 137.783 2.535 1.144 0.734 0.930 0.567 CB 1.690 172 residues pruned to eliminate duplicates Z: 183 141.117 2.496 1.106 0.696 0.962 0.659 CB 1.732 183 residues pruned to eliminate duplicates Z: 130 133.409 2.538 1.246 0.736 0.961 0.643 CB 1.734 130 residues pruned to eliminate duplicates Z: 141 131.198 2.536 1.150 0.755 0.957 0.586 CB 1.692 141 residues pruned to eliminate duplicates Z: 230 158.222 2.507 1.110 0.728 0.939 0.620 CB 1.714 230 residues pruned to eliminate duplicates Z: 29 77.632 2.603 1.454 0.958 0.964 0.536 CB 1.633 29 residues pruned to eliminate duplicates Z: 181 147.126 2.529 1.166 0.704 0.961 0.639 CB 1.730 181 residues pruned to eliminate duplicates Z: 123 113.319 2.472 1.167 0.683 0.943 0.672 CB 1.718 123 residues pruned to eliminate duplicates Z: 144 127.214 2.485 1.197 0.700 0.965 0.657 CB 1.684 144 residues pruned to eliminate duplicates Z: 230 158.220 2.509 1.091 0.707 0.961 0.655 CB 1.718 230 residues pruned to eliminate duplicates Z: 180 141.318 2.519 1.118 0.704 0.955 0.659 CB 1.722 180 residues pruned to eliminate duplicates Z: 130 134.908 2.543 1.322 0.735 0.953 0.636 CB 1.708 130 residues pruned to eliminate duplicates Z: 93 107.502 2.520 1.256 0.706 0.978 0.598 CB 1.671 93 residues pruned to eliminate duplicates Z: 184 148.295 2.510 1.192 0.718 0.967 0.563 CB 1.692 184 residues pruned to eliminate duplicates Z: 162 128.491 2.487 1.064 0.697 0.957 0.665 CB 1.723 162 residues pruned to eliminate duplicates Z: 184 135.696 2.519 1.142 0.700 0.913 0.519 CB 1.698 184 residues pruned to eliminate duplicates Z: 141 131.020 2.516 1.216 0.754 0.943 0.621 CB 1.679 141 residues pruned to eliminate duplicates Z: 132 129.193 2.520 1.269 0.739 0.969 0.695 CB 1.644 132 residues pruned to eliminate duplicates Z: 184 136.535 2.509 1.122 0.702 0.934 0.525 CB 1.688 184 residues pruned to eliminate duplicates Z: 181 145.345 2.491 1.172 0.695 0.967 0.600 CB 1.733 181 residues pruned to eliminate duplicates Z: 171 147.595 2.545 1.159 0.708 0.982 0.547 CB 1.736 171 residues pruned to eliminate duplicates Z: 118 117.267 2.485 1.214 0.705 0.974 0.607 CB 1.678 118 residues pruned to eliminate duplicates Z: 184 136.530 2.501 1.163 0.685 0.934 0.590 CB 1.685 184 residues pruned to eliminate duplicates Z: 179 132.467 2.478 1.135 0.682 0.944 0.551 CB 1.682 179 residues pruned to eliminate duplicates Z: 183 151.035 2.514 1.199 0.699 0.967 0.599 CB 1.746 183 residues pruned to eliminate duplicates Z: 160 127.748 2.465 1.212 0.688 0.937 0.535 CB 1.669 160 residues pruned to eliminate duplicates Z: 143 129.552 2.498 1.215 0.701 0.972 0.563 CB 1.683 143 residues pruned to eliminate duplicates Z: 182 140.977 2.509 1.125 0.699 0.950 0.575 CB 1.725 182 residues pruned to eliminate duplicates Z: 142 131.322 2.514 1.191 0.699 0.972 0.589 CB 1.723 142 residues pruned to eliminate duplicates Z: 184 145.129 2.517 1.163 0.710 0.956 0.579 CB 1.703 184 residues pruned to eliminate duplicates Z: 181 140.128 2.507 1.110 0.698 0.944 0.617 CB 1.745 181 residues pruned to eliminate duplicates Z: 180 140.697 2.497 1.120 0.697 0.955 0.575 CB 1.737 180 residues pruned to eliminate duplicates Z: 180 138.782 2.515 1.105 0.700 0.955 0.626 CB 1.709 180 residues pruned to eliminate duplicates Z: 182 144.216 2.505 1.169 0.683 0.972 0.586 CB 1.715 182 residues pruned to eliminate duplicates Z: 183 141.227 2.509 1.113 0.701 0.945 0.626 CB 1.740 183 residues pruned to eliminate duplicates Z: 174 143.638 2.539 1.190 0.711 0.948 0.595 CB 1.711 174 residues pruned to eliminate duplicates Z: 181 142.143 2.519 1.126 0.697 0.950 0.650 CB 1.740 181 residues pruned to eliminate duplicates Z: 182 141.957 2.511 1.186 0.701 0.945 0.591 CB 1.695 182 residues pruned to eliminate duplicates Z: 181 143.493 2.509 1.121 0.695 0.978 0.517 CB 1.720 181 residues pruned to eliminate duplicates Z: 184 142.822 2.509 1.194 0.691 0.945 0.585 CB 1.704 184 residues pruned to eliminate duplicates Z: 148 139.647 2.527 1.256 0.739 0.959 0.571 CB 1.701 148 residues pruned to eliminate duplicates Z: 132 135.412 2.545 1.311 0.728 0.962 0.611 CB 1.704 132 residues pruned to eliminate duplicates Z: 181 147.184 2.513 1.126 0.707 0.978 0.578 CB 1.740 181 residues pruned to eliminate duplicates Z: 173 129.874 2.509 1.084 0.714 0.924 0.628 CB 1.688 173 residues pruned to eliminate duplicates Z: 67 79.746 2.528 0.972 0.712 0.955 0.576 CB 1.702 67 residues pruned to eliminate duplicates Z: 230 165.833 2.519 1.168 0.719 0.952 0.659 CB 1.729 230 residues pruned to eliminate duplicates Z: 181 147.694 2.516 1.163 0.703 0.972 0.628 CB 1.730 181 residues pruned to eliminate duplicates Z: 184 137.724 2.508 1.142 0.711 0.923 0.541 CB 1.695 184 residues pruned to eliminate duplicates Z: 181 136.929 2.506 1.102 0.688 0.956 0.583 CB 1.706 181 residues pruned to eliminate duplicates Z: 32 49.130 2.477 1.154 0.623 0.903 0.613 CB 1.631 32 residues pruned to eliminate duplicates Z: 172 139.839 2.542 1.147 0.729 0.930 0.561 CB 1.715 172 residues pruned to eliminate duplicates Z: 143 123.835 2.492 1.191 0.704 0.951 0.676 CB 1.663 143 residues pruned to eliminate duplicates Z: 180 147.537 2.521 1.140 0.716 0.978 0.592 CB 1.720 180 residues pruned to eliminate duplicates Z: 139 138.218 2.530 1.333 0.714 0.964 0.580 CB 1.704 139 residues pruned to eliminate duplicates Z: 73 85.132 2.505 1.059 0.676 0.944 0.597 CB 1.751 73 residues pruned to eliminate duplicates Z: 181 144.764 2.509 1.184 0.699 0.956 0.589 CB 1.719 181 residues pruned to eliminate duplicates Z: 181 138.776 2.505 1.131 0.701 0.944 0.583 CB 1.708 181 residues pruned to eliminate duplicates Z: 158 132.098 2.507 1.148 0.720 0.949 0.573 CB 1.691 158 residues pruned to eliminate duplicates Z: 133 144.208 2.552 1.301 0.750 0.992 0.606 CB 1.724 133 residues pruned to eliminate duplicates Z: 133 132.394 2.535 1.256 0.729 0.955 0.636 CB 1.717 133 residues pruned to eliminate duplicates Z: 185 143.880 2.511 1.161 0.704 0.962 0.603 CB 1.687 185 residues pruned to eliminate duplicates Z: 231 158.941 2.501 1.105 0.705 0.974 0.600 CB 1.696 231 residues pruned to eliminate duplicates Z: 19 56.447 2.500 1.357 0.838 0.944 0.667 CB 1.786 19 residues pruned to eliminate duplicates Z: 184 142.071 2.520 1.153 0.708 0.934 0.601 CB 1.714 184 residues pruned to eliminate duplicates Z: 171 150.131 2.556 1.203 0.732 0.965 0.635 CB 1.722 171 residues pruned to eliminate duplicates Z: 45 62.726 2.507 1.018 0.679 0.932 0.568 CB 1.701 45 residues pruned to eliminate duplicates Z: 181 148.087 2.524 1.163 0.708 0.967 0.650 CB 1.731 181 residues pruned to eliminate duplicates Z: 184 139.595 2.519 1.153 0.692 0.940 0.590 CB 1.699 184 residues pruned to eliminate duplicates Z: 182 138.956 2.509 1.177 0.688 0.928 0.586 CB 1.715 182 residues pruned to eliminate duplicates Z: 70 89.301 2.560 1.064 0.665 0.986 0.623 CB 1.772 70 residues pruned to eliminate duplicates Z: 45 62.486 2.485 1.048 0.687 0.909 0.636 CB 1.716 45 residues pruned to eliminate duplicates Z: 184 143.884 2.514 1.108 0.701 0.967 0.563 CB 1.728 184 residues pruned to eliminate duplicates Z: 182 144.844 2.504 1.235 0.698 0.939 0.591 CB 1.710 182 residues pruned to eliminate duplicates Z: 45 68.531 2.513 1.174 0.687 0.909 0.682 CB 1.753 45 residues pruned to eliminate duplicates Z: 184 147.316 2.520 1.137 0.706 0.967 0.590 CB 1.733 184 residues pruned to eliminate duplicates Z: 172 150.516 2.554 1.166 0.726 0.971 0.620 CB 1.748 172 residues pruned to eliminate duplicates Z: 182 137.400 2.504 1.166 0.684 0.939 0.586 CB 1.693 182 residues pruned to eliminate duplicates Z: 172 152.387 2.556 1.187 0.727 0.965 0.643 CB 1.760 172 residues pruned to eliminate duplicates Z: 183 142.101 2.514 1.162 0.692 0.962 0.599 CB 1.691 183 residues pruned to eliminate duplicates Z: 185 151.538 2.515 1.209 0.699 0.973 0.587 CB 1.724 185 residues pruned to eliminate duplicates Z: 171 149.566 2.556 1.167 0.723 0.965 0.629 CB 1.756 171 residues pruned to eliminate duplicates Z: 45 67.722 2.481 1.190 0.668 0.909 0.727 CB 1.770 45 residues pruned to eliminate duplicates Z: 172 151.618 2.549 1.173 0.729 0.971 0.643 CB 1.755 172 residues pruned to eliminate duplicates Z: 185 148.614 2.516 1.159 0.704 0.967 0.652 CB 1.732 185 residues pruned to eliminate duplicates Z: 45 68.548 2.524 1.034 0.670 0.977 0.636 CB 1.760 45 residues pruned to eliminate duplicates Z: 230 169.206 2.518 1.175 0.716 0.965 0.633 CB 1.740 230 residues pruned to eliminate duplicates Z: 230 166.505 2.521 1.143 0.717 0.961 0.638 CB 1.742 230 residues pruned to eliminate duplicates Z: 72 86.798 2.539 0.933 0.672 0.986 0.676 CB 1.817 72 residues pruned to eliminate duplicates Z: 130 136.922 2.558 1.201 0.747 0.977 0.651 CB 1.758 130 residues pruned to eliminate duplicates Z: 218 160.623 2.524 1.150 0.710 0.972 0.659 CB 1.708 218 residues pruned to eliminate duplicates Z: 184 145.028 2.524 1.122 0.704 0.967 0.574 CB 1.718 184 residues pruned to eliminate duplicates Z: 45 63.013 2.499 0.923 0.661 0.932 0.591 CB 1.827 45 residues pruned to eliminate duplicates Z: 230 161.865 2.515 1.102 0.713 0.965 0.620 CB 1.729 230 residues pruned to eliminate duplicates Z: 14 34.792 2.428 0.915 0.679 1.000 0.615 CA 1.761 14 residues pruned to eliminate duplicates Z: 45 66.738 2.502 0.960 0.692 0.955 0.591 CB 1.803 45 residues pruned to eliminate duplicates Z: 183 147.110 2.520 1.131 0.713 0.967 0.648 CB 1.732 183 residues pruned to eliminate duplicates Z: 230 165.959 2.515 1.151 0.719 0.965 0.646 CB 1.724 230 residues pruned to eliminate duplicates Z: 11 34.620 2.438 0.975 0.841 1.000 0.800 CA 1.695 11 residues pruned to eliminate duplicates Z: 184 147.647 2.525 1.171 0.700 0.956 0.596 CB 1.734 184 residues pruned to eliminate duplicates Z: 74 83.080 2.487 1.010 0.667 0.945 0.699 CB 1.764 74 residues pruned to eliminate duplicates Z: 178 126.209 2.498 0.951 0.668 0.955 0.667 CB 1.746 178 residues pruned to eliminate duplicates Z: 56 58.745 2.419 0.850 0.611 0.927 0.727 CB 1.718 56 residues pruned to eliminate duplicates Z: 103 100.296 2.558 1.020 0.643 0.971 0.696 CB 1.733 103 residues pruned to eliminate duplicates Z: 182 150.724 2.522 1.165 0.709 0.972 0.652 CB 1.745 182 residues pruned to eliminate duplicates Z: 180 146.542 2.507 1.162 0.697 0.978 0.592 CB 1.727 180 residues pruned to eliminate duplicates Z: 14 10.646 1.965 0.595 0.426 0.846 0.538 CB 1.201 14 residues pruned to eliminate duplicates Z: 85 79.537 2.455 0.938 0.597 0.976 0.571 CB 1.704 85 residues pruned to eliminate duplicates Z: 180 147.614 2.522 1.137 0.713 0.983 0.637 CB 1.716 180 residues pruned to eliminate duplicates Z: 56 60.369 2.434 0.837 0.597 0.945 0.636 CB 1.756 56 residues pruned to eliminate duplicates Z: 171 113.899 2.468 0.900 0.666 0.941 0.606 CB 1.697 171 residues pruned to eliminate duplicates Z: 180 146.807 2.513 1.163 0.702 0.972 0.587 CB 1.727 180 residues pruned to eliminate duplicates Z: 181 138.426 2.525 1.047 0.686 0.956 0.672 CB 1.762 151 residues pruned to eliminate duplicates Z: 6 6.407 2.024 0.411 0.425 0.800 0.600 CB 1.355 Z: 12 9.854 2.019 0.470 0.443 0.818 0.364 CB 1.298 18 residues pruned to eliminate duplicates Z: 230 155.515 2.512 0.988 0.717 0.969 0.659 CB 1.744 230 residues pruned to eliminate duplicates Z: 181 140.410 2.508 1.030 0.703 0.967 0.700 CB 1.768 181 residues pruned to eliminate duplicates Z: 181 135.610 2.492 1.029 0.695 0.956 0.700 CB 1.750 181 residues pruned to eliminate duplicates Z: 172 143.104 2.550 1.118 0.723 0.947 0.632 CB 1.749 172 residues pruned to eliminate duplicates Z: 178 131.040 2.508 0.973 0.686 0.960 0.706 CB 1.747 178 residues pruned to eliminate duplicates Z: 171 134.064 2.522 1.023 0.736 0.953 0.694 CB 1.711 171 residues pruned to eliminate duplicates Z: 181 135.257 2.510 1.031 0.693 0.950 0.683 CB 1.745 181 residues pruned to eliminate duplicates Z: 230 159.171 2.516 1.053 0.721 0.961 0.686 CB 1.737 230 residues pruned to eliminate duplicates Z: 183 138.533 2.521 1.019 0.709 0.962 0.659 CB 1.736 183 residues pruned to eliminate duplicates Z: 219 168.098 2.543 1.167 0.732 0.963 0.674 CB 1.741 219 residues pruned to eliminate duplicates Z: 228 163.392 2.511 1.128 0.712 0.969 0.630 CB 1.728 228 residues pruned to eliminate duplicates Z: 45 76.873 2.491 1.040 0.804 0.977 0.795 CB 1.790 Z: 18 31.214 2.341 0.719 0.811 1.000 0.706 CB 1.435 18 residues pruned to eliminate duplicates Z: 37 54.289 2.413 0.902 0.719 0.944 0.722 CB 1.712 37 residues pruned to eliminate duplicates Z: 230 161.859 2.513 1.125 0.718 0.948 0.642 CB 1.736 275 residues pruned to eliminate duplicates Z: 92 102.653 2.497 1.008 0.719 0.989 0.670 CB 1.780 92 residues pruned to eliminate duplicates Z: 47 77.780 2.490 1.151 0.775 0.957 0.696 CB 1.757 Z: 15 28.489 2.303 0.829 0.810 0.929 0.571 CB 1.486 15 residues pruned to eliminate duplicates Z: 79 91.760 2.513 1.059 0.702 0.962 0.718 CB 1.738 126 residues pruned to eliminate duplicates Z: 47 77.492 2.475 1.031 0.790 0.978 0.804 CB 1.801 Z: 20 32.640 2.142 0.834 0.865 1.000 0.684 CB 1.396 20 residues pruned to eliminate duplicates Z: 49 71.260 2.397 1.018 0.758 0.979 0.750 CB 1.726 49 residues pruned to eliminate duplicates Z: 218 170.976 2.542 1.153 0.731 0.982 0.673 CB 1.755 265 residues pruned to eliminate duplicates Z: 47 77.857 2.481 1.088 0.789 0.957 0.761 CB 1.797 Z: 18 39.968 2.376 0.908 0.856 1.000 0.647 CB 1.577 18 residues pruned to eliminate duplicates Z: 48 74.581 2.492 1.115 0.755 0.957 0.638 CB 1.717 48 residues pruned to eliminate duplicates Z: 35 65.270 2.501 1.095 0.784 0.971 0.794 CB 1.714 35 residues pruned to eliminate duplicates Z: 47 76.071 2.499 1.059 0.779 0.935 0.674 CB 1.823 47 residues pruned to eliminate duplicates Z: 230 164.188 2.515 1.111 0.717 0.965 0.633 CB 1.740 277 residues pruned to eliminate duplicates Z: 231 173.044 2.508 1.187 0.715 0.983 0.626 CB 1.743 231 residues pruned to eliminate duplicates Z: 90 95.037 2.464 1.051 0.697 0.966 0.618 CB 1.724 90 residues pruned to eliminate duplicates Z: 176 150.544 2.518 1.225 0.742 0.966 0.623 CB 1.693 176 residues pruned to eliminate duplicates Z: 230 167.819 2.519 1.134 0.717 0.974 0.620 CB 1.741 230 residues pruned to eliminate duplicates Z: 49 74.525 2.449 1.247 0.766 0.938 0.542 CB 1.647 Z: 23 69.104 2.662 1.042 0.953 0.955 0.773 CB 1.954 23 residues pruned to eliminate duplicates Z: 229 166.062 2.508 1.201 0.712 0.956 0.596 CB 1.719 278 residues pruned to eliminate duplicates Z: 50 79.086 2.468 1.186 0.745 0.959 0.551 CB 1.754 Z: 26 70.866 2.483 1.247 0.919 0.960 0.520 CB 1.865 27 residues pruned to eliminate duplicates Z: 15 55.302 2.541 1.158 0.933 1.000 0.214 CB 1.882 15 residues pruned to eliminate duplicates Z: 91 102.235 2.518 1.163 0.705 0.933 0.611 CB 1.759 140 residues pruned to eliminate duplicates Z: 230 170.481 2.525 1.173 0.715 0.969 0.616 CB 1.743 230 residues pruned to eliminate duplicates Z: 231 167.064 2.513 1.172 0.710 0.961 0.583 CB 1.736 231 residues pruned to eliminate duplicates Z: 92 99.914 2.480 1.124 0.724 0.945 0.626 CB 1.718 92 residues pruned to eliminate duplicates Z: 47 78.015 2.473 1.245 0.778 0.935 0.522 CB 1.735 Z: 25 78.199 2.600 1.285 0.937 0.958 0.625 CB 1.951 27 residues pruned to eliminate duplicates Z: 24 84.896 2.607 1.476 0.946 1.000 0.696 CB 1.898 24 residues pruned to eliminate duplicates Z: 91 105.225 2.510 1.136 0.711 0.956 0.589 CB 1.787 136 residues pruned to eliminate duplicates Z: 47 85.576 2.477 1.389 0.781 0.957 0.630 CB 1.740 Z: 26 76.082 2.500 1.476 0.917 0.960 0.560 CB 1.807 26 residues pruned to eliminate duplicates Z: 228 165.708 2.508 1.160 0.708 0.965 0.608 CB 1.743 275 residues pruned to eliminate duplicates Z: 48 70.714 2.453 1.086 0.792 0.915 0.638 CB 1.706 Z: 25 85.713 2.559 1.366 0.950 1.000 0.708 CB 1.993 25 residues pruned to eliminate duplicates Z: 227 164.908 2.508 1.200 0.703 0.965 0.562 CB 1.714 275 residues pruned to eliminate duplicates Z: 48 78.063 2.487 1.270 0.763 0.936 0.574 CB 1.706 Z: 27 71.855 2.500 1.355 0.879 0.923 0.500 CB 1.881 27 residues pruned to eliminate duplicates 446 residues left after pruning, divided into chains as follows: A: 43 B: 177 C: 178 D: 48 CC for partial structure against native data = 44.34 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.805, Connect. = 0.765 for dens.mod. cycle 1 = 0.300, Contrast = 0.931, Connect. = 0.797 for dens.mod. cycle 2 = 0.300, Contrast = 1.137, Connect. = 0.822 for dens.mod. cycle 3 = 0.300, Contrast = 1.185, Connect. = 0.825 for dens.mod. cycle 4 = 0.300, Contrast = 1.225, Connect. = 0.827 for dens.mod. cycle 5 = 0.300, Contrast = 1.244, Connect. = 0.829 for dens.mod. cycle 6 = 0.300, Contrast = 1.261, Connect. = 0.830 for dens.mod. cycle 7 = 0.300, Contrast = 1.269, Connect. = 0.831 for dens.mod. cycle 8 = 0.300, Contrast = 1.276, Connect. = 0.832 for dens.mod. cycle 9 = 0.300, Contrast = 1.279, Connect. = 0.833 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3107 peaks > 0.5 sigma used to seed fragment search Space for about 1039 unique residues taking solvent into account 608 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 19.855 2.267 1.281 0.721 0.818 0.818 CB 1.158 B: 12 27.044 2.251 1.078 0.883 1.000 0.818 CB 1.260 C: 31 68.681 2.523 1.131 0.942 0.933 0.733 CB 1.733 D: 13 43.488 2.459 0.908 0.911 1.000 0.667 CA 1.896 E: 24 86.337 2.647 1.275 0.946 1.000 0.870 CB 2.068 F: 18 59.940 2.608 1.162 0.918 0.941 0.647 CA 1.931 G: 12 24.251 2.363 0.637 0.785 0.909 0.818 CA 1.618 H: 12 32.919 2.311 1.138 0.927 1.000 1.000 CB 1.408 12 residues pruned to eliminate duplicates I: 21 64.002 2.572 1.236 0.862 1.000 0.550 CB 1.827 13 residues pruned to eliminate duplicates J: 26 72.958 2.552 1.218 0.907 0.920 0.720 CB 1.990 26 residues pruned to eliminate duplicates K: 25 74.623 2.589 1.232 0.926 0.958 0.542 CB 1.928 18 residues pruned to eliminate duplicates L: 32 58.366 2.427 0.879 0.938 0.935 0.903 CB 1.708 M: 22 60.452 2.540 1.045 0.855 1.000 0.714 CA 1.873 N: 19 58.653 2.467 1.156 0.903 1.000 0.944 CB 1.852 O: 27 77.011 2.485 1.310 0.911 0.962 0.538 CA 1.940 26 residues pruned to eliminate duplicates P: 22 63.577 2.547 1.247 0.873 0.952 0.667 CA 1.853 22 residues pruned to eliminate duplicates Q: 26 77.423 2.546 1.386 0.946 0.920 0.680 CA 1.916 25 residues pruned to eliminate duplicates R: 23 52.512 2.429 1.161 0.807 0.955 0.727 CA 1.710 23 residues pruned to eliminate duplicates S: 26 72.275 2.511 1.215 0.927 0.960 0.600 CB 1.897 26 residues pruned to eliminate duplicates T: 22 59.912 2.557 1.176 0.834 0.952 0.571 CB 1.850 22 residues pruned to eliminate duplicates U: 32 56.247 2.458 0.678 0.935 1.000 0.903 CB 1.707 32 residues pruned to eliminate duplicates V: 11 24.999 2.332 0.945 0.827 0.900 0.900 CB 1.459 12 residues pruned to eliminate duplicates W: 28 65.040 2.506 1.286 0.890 0.963 0.630 CB 1.632 28 residues pruned to eliminate duplicates X: 26 74.812 2.524 1.241 0.931 0.960 0.720 CB 1.925 26 residues pruned to eliminate duplicates Y: 28 58.813 2.487 1.028 0.814 0.926 0.778 CA 1.845 Z: 18 63.395 2.518 1.472 0.911 1.000 0.882 CB 1.751 19 residues pruned to eliminate duplicates Z: 28 64.321 2.490 1.133 0.811 0.926 0.704 CA 1.920 28 residues pruned to eliminate duplicates Z: 25 80.904 2.559 1.339 0.929 1.000 0.792 CB 1.930 26 residues pruned to eliminate duplicates Z: 27 61.473 2.417 1.095 0.877 0.923 0.808 CA 1.874 27 residues pruned to eliminate duplicates Z: 25 75.409 2.588 1.196 0.930 0.958 0.833 CB 1.977 25 residues pruned to eliminate duplicates Z: 22 41.476 2.464 0.710 0.857 0.952 0.952 CA 1.662 22 residues pruned to eliminate duplicates Z: 29 54.993 2.403 0.942 0.905 1.000 0.679 CB 1.585 Z: 17 54.717 2.506 1.089 0.909 1.000 0.875 CB 1.854 17 residues pruned to eliminate duplicates Z: 26 66.105 2.486 1.185 0.908 0.920 0.800 CB 1.878 26 residues pruned to eliminate duplicates Z: 12 38.678 2.543 0.767 0.899 1.000 0.909 CB 1.855 13 residues pruned to eliminate duplicates Z: 28 58.501 2.453 1.043 0.954 1.000 0.667 CB 1.546 27 residues pruned to eliminate duplicates Z: 10 34.184 2.637 0.606 0.913 1.000 1.000 CB 1.903 10 residues pruned to eliminate duplicates Z: 14 49.567 2.515 1.025 0.943 1.000 0.846 CB 1.870 13 residues pruned to eliminate duplicates Z: 16 60.137 2.606 1.462 0.946 1.000 0.933 CB 1.674 Z: 23 62.372 2.429 1.328 0.889 0.955 0.818 CA 1.774 23 residues pruned to eliminate duplicates Z: 23 52.933 2.444 0.940 0.869 1.000 0.909 CA 1.738 23 residues pruned to eliminate duplicates Z: 23 47.759 2.357 1.095 0.885 0.955 0.818 CB 1.560 23 residues pruned to eliminate duplicates Z: 28 55.691 2.454 1.017 0.801 0.889 0.519 CB 1.873 28 residues pruned to eliminate duplicates Z: 21 65.160 2.580 1.291 0.843 1.000 0.600 CB 1.835 22 residues pruned to eliminate duplicates Z: 24 82.001 2.630 1.376 0.944 0.957 0.739 CB 1.981 26 residues pruned to eliminate duplicates Z: 24 80.334 2.585 1.291 0.935 1.000 0.522 CB 1.971 24 residues pruned to eliminate duplicates Z: 22 47.510 2.443 0.888 0.857 1.000 0.810 CA 1.656 22 residues pruned to eliminate duplicates Z: 179 139.313 2.547 1.117 0.650 0.961 0.601 CB 1.753 140 residues pruned to eliminate duplicates Z: 25 61.985 2.509 0.877 0.929 0.958 0.667 CA 1.961 25 residues pruned to eliminate duplicates Z: 22 44.601 2.454 1.085 0.825 0.905 0.476 CB 1.587 22 residues pruned to eliminate duplicates Z: 32 51.420 2.435 0.558 0.925 1.000 0.903 CB 1.709 32 residues pruned to eliminate duplicates Z: 27 60.133 2.527 0.969 0.844 0.923 0.731 CB 1.911 27 residues pruned to eliminate duplicates Z: 18 63.314 2.463 1.501 0.916 1.000 0.647 CB 1.761 9 residues pruned to eliminate duplicates Z: 170 161.010 2.594 1.228 0.733 0.964 0.686 CB 1.802 110 residues pruned to eliminate duplicates Z: 32 63.391 2.478 1.181 0.928 0.968 0.774 CB 1.524 32 residues pruned to eliminate duplicates Z: 23 62.678 2.540 1.359 0.903 0.955 0.727 CB 1.666 23 residues pruned to eliminate duplicates Z: 29 58.221 2.395 1.007 0.792 0.964 0.643 CB 1.837 Z: 25 82.152 2.589 1.389 0.936 0.958 0.542 CB 1.970 25 residues pruned to eliminate duplicates Z: 30 57.158 2.497 0.662 0.931 1.000 0.862 CB 1.787 30 residues pruned to eliminate duplicates Z: 17 47.189 2.437 1.017 0.898 1.000 0.812 CB 1.716 17 residues pruned to eliminate duplicates Z: 22 47.212 2.413 0.956 0.830 0.905 0.714 CA 1.814 22 residues pruned to eliminate duplicates Z: 30 57.518 2.527 0.755 0.949 0.966 0.862 CB 1.722 31 residues pruned to eliminate duplicates Z: 26 62.232 2.532 0.854 0.897 0.960 0.920 CA 1.977 25 residues pruned to eliminate duplicates Z: 25 85.342 2.547 1.437 0.940 1.000 0.583 CB 1.949 25 residues pruned to eliminate duplicates Z: 20 28.325 2.163 0.684 0.836 0.947 0.789 CB 1.409 Z: 26 74.857 2.484 1.340 0.919 0.960 0.600 CB 1.892 26 residues pruned to eliminate duplicates Z: 12 23.618 2.249 0.741 0.830 0.909 0.636 CB 1.504 12 residues pruned to eliminate duplicates Z: 28 63.063 2.479 1.108 0.846 0.926 0.741 CA 1.864 28 residues pruned to eliminate duplicates Z: 19 51.499 2.422 1.027 0.911 1.000 0.833 CB 1.751 19 residues pruned to eliminate duplicates Z: 18 46.305 2.453 0.986 0.896 0.941 0.882 CB 1.754 18 residues pruned to eliminate duplicates Z: 26 40.777 2.363 0.847 0.809 0.880 0.520 CB 1.621 26 residues pruned to eliminate duplicates Z: 27 66.720 2.540 1.383 0.922 0.923 0.577 CB 1.648 27 residues pruned to eliminate duplicates Z: 22 60.716 2.555 1.048 0.857 1.000 0.714 CA 1.865 22 residues pruned to eliminate duplicates Z: 20 49.941 2.319 1.108 0.907 1.000 0.526 CB 1.665 Z: 11 35.603 2.492 0.973 0.745 1.000 0.700 CA 1.839 11 residues pruned to eliminate duplicates Z: 26 86.921 2.553 1.436 0.944 1.000 0.760 CA 1.936 26 residues pruned to eliminate duplicates Z: 27 46.954 2.452 0.693 0.921 0.962 0.885 CB 1.625 27 residues pruned to eliminate duplicates Z: 26 55.418 2.504 0.931 0.940 0.960 0.720 CB 1.658 26 residues pruned to eliminate duplicates Z: 18 57.030 2.467 1.335 0.934 1.000 0.941 CB 1.674 18 residues pruned to eliminate duplicates Z: 21 49.553 2.523 0.813 0.914 1.000 0.950 CB 1.712 21 residues pruned to eliminate duplicates Z: 28 58.644 2.425 0.929 0.846 0.963 0.741 CA 1.862 28 residues pruned to eliminate duplicates Z: 17 50.179 2.439 1.132 0.871 1.000 0.875 CB 1.760 17 residues pruned to eliminate duplicates Z: 25 58.359 2.524 0.890 0.916 1.000 0.875 CB 1.764 25 residues pruned to eliminate duplicates Z: 21 56.772 2.574 1.102 0.881 0.950 0.600 CA 1.788 21 residues pruned to eliminate duplicates Z: 22 63.904 2.519 1.251 0.882 1.000 0.714 CB 1.779 22 residues pruned to eliminate duplicates Z: 21 61.286 2.576 1.249 0.889 0.950 0.700 CA 1.792 20 residues pruned to eliminate duplicates Z: 33 52.124 2.350 0.762 0.885 1.000 0.781 CB 1.606 33 residues pruned to eliminate duplicates Z: 24 79.214 2.599 1.447 0.924 0.957 0.609 CB 1.907 24 residues pruned to eliminate duplicates Z: 28 51.025 2.489 0.677 0.948 0.963 0.889 CB 1.687 28 residues pruned to eliminate duplicates Z: 28 60.665 2.461 1.033 0.893 1.000 0.778 CB 1.676 28 residues pruned to eliminate duplicates Z: 28 57.676 2.498 0.870 0.941 1.000 0.778 CB 1.649 28 residues pruned to eliminate duplicates Z: 13 28.779 2.368 0.753 0.844 0.917 0.750 CA 1.624 13 residues pruned to eliminate duplicates Z: 32 72.143 2.472 1.228 0.948 1.000 0.645 CB 1.625 30 residues pruned to eliminate duplicates Z: 28 54.934 2.451 1.029 0.838 0.889 0.630 CA 1.788 28 residues pruned to eliminate duplicates Z: 18 47.566 2.398 1.364 0.902 0.941 0.882 CB 1.542 18 residues pruned to eliminate duplicates Z: 32 83.617 2.513 1.634 0.918 0.968 0.516 CB 1.654 32 residues pruned to eliminate duplicates Z: 27 75.005 2.557 1.480 0.931 0.962 0.615 CB 1.685 27 residues pruned to eliminate duplicates Z: 22 62.382 2.518 1.121 0.865 1.000 0.810 CA 1.868 22 residues pruned to eliminate duplicates Z: 28 68.465 2.495 1.176 0.932 1.000 0.852 CB 1.695 28 residues pruned to eliminate duplicates Z: 19 38.195 2.238 1.019 0.878 1.000 0.833 CB 1.445 20 residues pruned to eliminate duplicates Z: 31 61.034 2.471 0.921 0.940 0.933 0.933 CB 1.746 31 residues pruned to eliminate duplicates Z: 11 35.563 2.457 0.957 0.933 1.000 1.000 CB 1.632 12 residues pruned to eliminate duplicates Z: 18 34.357 2.420 0.624 0.927 1.000 0.941 CB 1.486 18 residues pruned to eliminate duplicates Z: 27 66.492 2.499 1.047 0.867 1.000 0.846 CB 1.866 29 residues pruned to eliminate duplicates Z: 21 57.372 2.587 0.942 0.876 1.000 0.650 CA 1.856 21 residues pruned to eliminate duplicates Z: 18 47.090 2.482 0.850 0.931 1.000 0.882 CB 1.738 18 residues pruned to eliminate duplicates Z: 26 65.258 2.503 0.952 0.902 0.960 0.640 CB 1.984 26 residues pruned to eliminate duplicates Z: 11 29.350 2.394 0.843 0.815 0.900 0.700 CB 1.777 11 residues pruned to eliminate duplicates Z: 28 57.294 2.455 1.083 0.814 0.926 0.481 CB 1.773 28 residues pruned to eliminate duplicates Z: 28 69.235 2.512 1.292 0.927 1.000 0.630 CB 1.622 28 residues pruned to eliminate duplicates Z: 22 59.459 2.537 1.114 0.874 1.000 0.762 CA 1.761 22 residues pruned to eliminate duplicates Z: 12 22.145 2.308 0.503 0.828 0.909 0.818 CB 1.594 12 residues pruned to eliminate duplicates Z: 31 73.960 2.556 1.309 0.947 0.967 0.800 CB 1.636 31 residues pruned to eliminate duplicates Z: 28 63.600 2.398 1.269 0.912 0.926 0.519 CB 1.722 20 residues pruned to eliminate duplicates Z: 33 67.118 2.403 1.516 0.907 0.875 0.375 CB 1.593 33 residues pruned to eliminate duplicates Z: 18 61.330 2.579 1.202 0.934 1.000 0.765 CB 1.827 18 residues pruned to eliminate duplicates Z: 18 41.803 2.366 1.020 0.882 1.000 0.706 CB 1.535 19 residues pruned to eliminate duplicates Z: 32 52.362 2.439 0.678 0.906 0.968 0.839 CB 1.690 32 residues pruned to eliminate duplicates Z: 28 49.838 2.438 0.985 0.847 0.852 0.556 CB 1.727 28 residues pruned to eliminate duplicates Z: 18 35.339 2.327 0.970 0.851 0.941 0.706 CB 1.470 18 residues pruned to eliminate duplicates Z: 27 43.044 2.376 0.618 0.939 1.000 0.769 CB 1.525 27 residues pruned to eliminate duplicates Z: 25 64.191 2.564 0.847 0.945 1.000 0.917 CA 1.915 25 residues pruned to eliminate duplicates Z: 27 62.297 2.469 0.939 0.901 0.962 0.885 CA 1.894 26 residues pruned to eliminate duplicates Z: 17 49.981 2.496 1.123 0.897 0.938 0.688 CB 1.801 18 residues pruned to eliminate duplicates Z: 31 62.915 2.484 1.015 0.925 1.000 0.767 CB 1.611 31 residues pruned to eliminate duplicates Z: 20 60.828 2.392 1.465 0.914 1.000 0.632 CB 1.674 18 residues pruned to eliminate duplicates Z: 18 53.620 2.467 1.169 0.879 1.000 0.647 CB 1.762 18 residues pruned to eliminate duplicates Z: 28 59.876 2.452 0.974 0.842 0.926 0.704 CA 1.916 28 residues pruned to eliminate duplicates Z: 31 59.616 2.531 0.781 0.911 0.967 0.900 CB 1.771 31 residues pruned to eliminate duplicates Z: 14 44.284 2.523 0.975 0.929 0.923 0.692 CB 1.868 14 residues pruned to eliminate duplicates Z: 25 73.155 2.594 1.084 0.949 0.958 0.875 CB 1.989 25 residues pruned to eliminate duplicates Z: 17 58.061 2.478 1.353 0.937 1.000 0.938 CB 1.732 17 residues pruned to eliminate duplicates Z: 31 72.474 2.511 1.340 0.952 0.967 0.467 CB 1.604 31 residues pruned to eliminate duplicates Z: 26 34.417 2.339 0.673 0.816 0.840 0.520 CB 1.592 26 residues pruned to eliminate duplicates Z: 28 53.980 2.442 0.878 0.861 0.926 0.556 CB 1.798 28 residues pruned to eliminate duplicates Z: 25 66.823 2.494 1.278 0.929 0.958 0.792 CB 1.753 25 residues pruned to eliminate duplicates Z: 31 75.389 2.521 1.265 0.940 1.000 0.567 CB 1.674 32 residues pruned to eliminate duplicates Z: 31 77.074 2.526 1.554 0.943 0.933 0.633 CB 1.619 31 residues pruned to eliminate duplicates Z: 27 71.684 2.453 1.513 0.883 0.885 0.385 CB 1.864 27 residues pruned to eliminate duplicates Z: 17 51.852 2.492 1.099 0.931 1.000 1.000 CB 1.732 17 residues pruned to eliminate duplicates Z: 22 65.837 2.537 1.282 0.859 1.000 0.667 CB 1.826 22 residues pruned to eliminate duplicates Z: 39 58.864 2.468 1.036 0.637 0.974 0.632 CB 1.716 40 residues pruned to eliminate duplicates Z: 81 88.025 2.516 1.084 0.664 0.963 0.637 CB 1.675 57 residues pruned to eliminate duplicates Z: 28 58.203 2.456 1.093 0.896 0.963 0.704 CB 1.620 28 residues pruned to eliminate duplicates Z: 17 65.835 2.525 1.538 0.923 1.000 0.688 CB 1.806 17 residues pruned to eliminate duplicates Z: 17 60.067 2.471 1.570 0.902 1.000 0.562 CB 1.687 17 residues pruned to eliminate duplicates Z: 25 84.748 2.558 1.399 0.954 1.000 0.500 CB 1.938 25 residues pruned to eliminate duplicates Z: 21 58.159 2.592 1.097 0.884 0.950 0.700 CA 1.820 21 residues pruned to eliminate duplicates Z: 22 59.525 2.537 1.101 0.853 1.000 0.714 CA 1.801 22 residues pruned to eliminate duplicates Z: 31 85.598 2.553 1.577 0.928 0.967 0.567 CB 1.721 31 residues pruned to eliminate duplicates Z: 28 53.704 2.452 0.758 0.832 0.963 0.778 CA 1.870 27 residues pruned to eliminate duplicates Z: 25 55.956 2.435 0.752 0.942 1.000 0.833 CA 1.857 25 residues pruned to eliminate duplicates Z: 28 59.578 2.482 0.994 0.840 0.963 0.778 CA 1.795 27 residues pruned to eliminate duplicates Z: 23 64.093 2.593 0.941 0.945 1.000 0.909 CA 1.879 23 residues pruned to eliminate duplicates Z: 19 59.482 2.462 1.225 0.928 1.000 0.722 CB 1.793 19 residues pruned to eliminate duplicates Z: 31 62.129 2.487 1.138 0.946 0.933 0.400 CB 1.581 31 residues pruned to eliminate duplicates Z: 32 76.629 2.500 1.459 0.901 0.968 0.484 CB 1.652 32 residues pruned to eliminate duplicates Z: 22 59.353 2.530 1.125 0.873 0.952 0.857 CA 1.842 22 residues pruned to eliminate duplicates Z: 18 60.180 2.450 1.465 0.909 1.000 0.824 CB 1.715 18 residues pruned to eliminate duplicates Z: 18 57.958 2.473 1.366 0.934 1.000 0.706 CB 1.675 18 residues pruned to eliminate duplicates Z: 26 82.866 2.529 1.478 0.944 0.960 0.600 CB 1.909 26 residues pruned to eliminate duplicates Z: 28 63.848 2.521 1.333 0.903 0.926 0.444 CB 1.609 28 residues pruned to eliminate duplicates Z: 28 50.256 2.397 0.937 0.811 0.926 0.741 CA 1.716 28 residues pruned to eliminate duplicates Z: 28 63.001 2.410 1.126 0.928 0.963 0.481 CB 1.722 28 residues pruned to eliminate duplicates Z: 24 53.745 2.341 1.075 0.869 0.957 0.696 CB 1.761 24 residues pruned to eliminate duplicates Z: 28 59.871 2.396 1.107 0.849 0.926 0.704 CB 1.827 28 residues pruned to eliminate duplicates Z: 26 60.319 2.488 0.846 0.925 1.000 0.840 CA 1.843 26 residues pruned to eliminate duplicates Z: 18 58.933 2.472 1.531 0.937 0.941 0.588 CB 1.688 18 residues pruned to eliminate duplicates Z: 6 9.382 1.918 0.588 0.809 1.000 0.800 CB 1.052 Z: 22 57.428 2.496 1.050 0.867 1.000 0.762 CA 1.791 22 residues pruned to eliminate duplicates Z: 22 58.487 2.411 1.275 0.857 0.952 0.667 CB 1.800 22 residues pruned to eliminate duplicates Z: 21 54.040 2.572 0.960 0.876 0.950 0.750 CA 1.834 21 residues pruned to eliminate duplicates Z: 10 27.404 2.434 0.832 0.845 0.889 0.667 CB 1.713 10 residues pruned to eliminate duplicates Z: 28 51.129 2.398 1.097 0.814 0.889 0.370 CB 1.676 28 residues pruned to eliminate duplicates Z: 26 60.418 2.492 1.047 0.938 0.960 0.840 CB 1.717 26 residues pruned to eliminate duplicates Z: 21 44.742 2.347 0.970 0.816 0.950 0.750 CA 1.731 21 residues pruned to eliminate duplicates Z: 20 30.647 2.271 0.718 0.774 0.947 0.632 CB 1.493 Z: 27 68.478 2.449 1.268 0.932 0.923 0.577 CB 1.828 27 residues pruned to eliminate duplicates Z: 16 45.050 2.399 1.035 0.927 1.000 0.933 CB 1.670 16 residues pruned to eliminate duplicates Z: 18 65.812 2.496 1.535 0.917 1.000 0.529 CB 1.780 20 residues pruned to eliminate duplicates Z: 27 70.170 2.458 1.202 0.920 0.962 0.500 CB 1.862 27 residues pruned to eliminate duplicates Z: 27 75.993 2.493 1.214 0.918 1.000 0.731 CB 1.903 27 residues pruned to eliminate duplicates Z: 28 61.050 2.455 1.115 0.811 0.926 0.815 CA 1.864 28 residues pruned to eliminate duplicates Z: 137 134.200 2.536 1.225 0.718 0.971 0.618 CB 1.726 134 residues pruned to eliminate duplicates Z: 25 65.007 2.457 1.095 0.917 1.000 0.792 CB 1.820 25 residues pruned to eliminate duplicates Z: 29 71.516 2.555 1.314 0.956 1.000 0.679 CB 1.571 29 residues pruned to eliminate duplicates Z: 19 38.936 2.314 0.856 0.877 1.000 0.778 CB 1.552 20 residues pruned to eliminate duplicates Z: 48 57.022 2.387 0.973 0.575 0.957 0.617 CB 1.716 48 residues pruned to eliminate duplicates Z: 22 43.724 2.470 1.033 0.798 0.857 0.476 CB 1.708 22 residues pruned to eliminate duplicates Z: 22 20.483 2.305 0.730 0.348 0.810 0.524 CB 1.633 22 residues pruned to eliminate duplicates Z: 27 60.490 2.457 0.790 0.932 1.000 0.654 CA 1.883 27 residues pruned to eliminate duplicates Z: 29 66.897 2.434 1.399 0.885 0.964 0.679 CB 1.621 29 residues pruned to eliminate duplicates Z: 28 61.811 2.370 1.029 0.939 0.963 0.704 CB 1.785 28 residues pruned to eliminate duplicates Z: 21 50.412 2.498 0.955 0.864 0.950 0.600 CB 1.780 21 residues pruned to eliminate duplicates Z: 27 52.938 2.532 0.918 0.835 0.885 0.731 CB 1.810 27 residues pruned to eliminate duplicates Z: 30 84.948 2.589 1.533 0.920 1.000 0.621 CB 1.694 30 residues pruned to eliminate duplicates Z: 16 64.996 2.593 1.639 0.953 1.000 0.867 CB 1.687 16 residues pruned to eliminate duplicates Z: 19 38.464 2.279 0.848 0.885 1.000 0.833 CB 1.555 19 residues pruned to eliminate duplicates Z: 33 76.557 2.428 1.489 0.929 1.000 0.531 CB 1.567 33 residues pruned to eliminate duplicates Z: 31 62.685 2.504 1.015 0.929 0.967 0.867 CB 1.641 31 residues pruned to eliminate duplicates Z: 28 59.179 2.389 1.201 0.885 0.926 0.519 CB 1.688 28 residues pruned to eliminate duplicates Z: 30 81.339 2.599 1.364 0.947 0.966 0.621 CB 1.759 30 residues pruned to eliminate duplicates Z: 19 36.105 2.207 0.905 0.888 1.000 0.444 CB 1.458 19 residues pruned to eliminate duplicates Z: 29 65.259 2.495 1.606 0.943 0.821 0.429 CB 1.601 29 residues pruned to eliminate duplicates Z: 27 69.745 2.523 1.344 0.936 0.962 0.538 CB 1.674 27 residues pruned to eliminate duplicates Z: 26 58.234 2.454 0.787 0.930 1.000 0.800 CA 1.858 26 residues pruned to eliminate duplicates Z: 22 68.125 2.547 1.335 0.870 1.000 0.667 CB 1.825 22 residues pruned to eliminate duplicates Z: 18 40.010 2.340 1.034 0.867 1.000 0.588 CB 1.492 18 residues pruned to eliminate duplicates Z: 21 57.651 2.610 0.925 0.883 1.000 0.900 CB 1.856 21 residues pruned to eliminate duplicates Z: 26 72.758 2.508 1.138 0.916 1.000 0.920 CB 1.917 26 residues pruned to eliminate duplicates Z: 7 12.995 1.993 0.485 0.783 1.000 0.833 CA 1.397 7 residues pruned to eliminate duplicates Z: 18 51.861 2.442 1.175 0.902 0.941 0.471 CB 1.796 18 residues pruned to eliminate duplicates Z: 11 33.301 2.364 0.934 0.849 1.000 0.700 CA 1.707 Z: 14 40.133 2.583 0.581 0.918 1.000 1.000 CB 1.923 14 residues pruned to eliminate duplicates Z: 11 21.636 2.424 0.416 0.808 0.900 0.700 CA 1.693 11 residues pruned to eliminate duplicates Z: 28 59.699 2.488 1.019 0.852 0.889 0.556 CA 1.903 28 residues pruned to eliminate duplicates Z: 26 55.145 2.513 1.030 0.876 0.840 0.600 CB 1.871 26 residues pruned to eliminate duplicates Z: 18 48.998 2.460 0.976 0.900 0.941 0.765 CB 1.856 18 residues pruned to eliminate duplicates Z: 28 66.895 2.401 1.258 0.913 0.963 0.481 CB 1.745 28 residues pruned to eliminate duplicates Z: 12 23.953 2.301 0.567 0.801 0.909 0.455 CB 1.693 12 residues pruned to eliminate duplicates Z: 30 43.678 2.437 0.586 0.932 0.931 0.862 CB 1.574 30 residues pruned to eliminate duplicates Z: 184 147.331 2.520 1.123 0.710 0.978 0.661 CB 1.720 183 residues pruned to eliminate duplicates Z: 25 70.438 2.565 1.016 0.927 1.000 0.833 CA 1.948 25 residues pruned to eliminate duplicates Z: 13 27.134 2.215 0.681 0.837 1.000 0.750 CA 1.573 13 residues pruned to eliminate duplicates Z: 11 22.675 2.367 0.561 0.735 0.900 0.900 CB 1.745 11 residues pruned to eliminate duplicates Z: 11 45.835 2.390 1.461 0.898 1.000 0.700 CB 1.762 11 residues pruned to eliminate duplicates Z: 18 64.072 2.436 1.657 0.890 1.000 0.706 CB 1.727 18 residues pruned to eliminate duplicates Z: 19 51.578 2.407 1.235 0.885 0.944 0.778 CB 1.728 19 residues pruned to eliminate duplicates Z: 14 37.030 2.424 0.660 0.891 0.923 0.615 CB 1.988 14 residues pruned to eliminate duplicates Z: 180 144.547 2.522 1.136 0.705 0.972 0.631 CB 1.712 141 residues pruned to eliminate duplicates Z: 28 51.800 2.419 0.712 0.929 0.926 0.778 CB 1.819 28 residues pruned to eliminate duplicates Z: 28 61.394 2.359 1.132 0.908 0.963 0.519 CB 1.733 28 residues pruned to eliminate duplicates Z: 19 54.759 2.335 1.309 0.885 1.000 0.778 CA 1.728 19 residues pruned to eliminate duplicates Z: 26 76.372 2.539 1.402 0.925 0.920 0.760 CA 1.910 26 residues pruned to eliminate duplicates Z: 25 61.928 2.574 0.980 0.929 0.917 0.833 CA 1.895 25 residues pruned to eliminate duplicates Z: 10 45.039 2.669 1.129 0.904 1.000 0.556 CB 1.881 10 residues pruned to eliminate duplicates Z: 25 78.948 2.571 1.346 0.938 0.958 0.500 CB 1.938 25 residues pruned to eliminate duplicates Z: 11 24.835 2.387 0.611 0.856 0.900 0.800 CA 1.675 11 residues pruned to eliminate duplicates Z: 7 5.700 1.904 0.591 0.677 0.833 0.667 CB 0.783 7 residues pruned to eliminate duplicates Z: 29 59.473 2.285 1.321 0.897 0.929 0.464 CB 1.634 29 residues pruned to eliminate duplicates Z: 27 65.447 2.454 0.937 0.942 1.000 0.846 CA 1.873 27 residues pruned to eliminate duplicates Z: 28 58.724 2.493 1.024 0.825 0.926 0.704 CA 1.826 28 residues pruned to eliminate duplicates Z: 15 36.808 2.326 0.957 0.792 1.000 0.500 CB 1.673 15 residues pruned to eliminate duplicates Z: 24 73.898 2.560 1.334 0.951 1.000 0.696 CB 1.777 24 residues pruned to eliminate duplicates Z: 25 89.464 2.554 1.459 0.959 1.000 0.500 CB 1.993 25 residues pruned to eliminate duplicates Z: 28 70.372 2.510 1.360 0.922 0.963 0.630 CB 1.670 28 residues pruned to eliminate duplicates Z: 66 92.696 2.609 1.070 0.723 0.969 0.785 CB 1.796 66 residues pruned to eliminate duplicates Z: 26 84.789 2.535 1.518 0.923 0.960 0.560 CB 1.945 27 residues pruned to eliminate duplicates Z: 29 55.542 2.342 0.911 0.897 0.964 0.857 CB 1.740 29 residues pruned to eliminate duplicates Z: 18 46.062 2.493 0.787 0.903 1.000 0.941 CB 1.788 18 residues pruned to eliminate duplicates Z: 16 63.680 2.564 1.528 0.946 0.933 0.600 CB 1.879 16 residues pruned to eliminate duplicates Z: 25 82.402 2.573 1.491 0.955 0.917 0.708 CB 1.967 25 residues pruned to eliminate duplicates Z: 10 16.187 2.444 0.409 0.778 0.778 0.444 CB 1.577 10 residues pruned to eliminate duplicates Z: 16 51.107 2.447 1.018 0.948 1.000 0.733 CA 1.846 16 residues pruned to eliminate duplicates Z: 32 74.151 2.436 1.376 0.918 1.000 0.806 CB 1.623 32 residues pruned to eliminate duplicates Z: 10 34.489 2.562 1.150 0.877 1.000 0.556 CB 1.516 10 residues pruned to eliminate duplicates Z: 27 50.774 2.483 0.762 0.921 0.962 0.731 CB 1.666 27 residues pruned to eliminate duplicates Z: 22 52.819 2.490 0.968 0.851 1.000 0.857 CA 1.741 22 residues pruned to eliminate duplicates Z: 183 140.625 2.504 1.069 0.692 0.967 0.599 CB 1.745 183 residues pruned to eliminate duplicates Z: 14 30.853 2.401 0.621 0.854 0.923 0.615 CB 1.759 14 residues pruned to eliminate duplicates Z: 26 62.655 2.466 0.999 0.905 0.960 0.840 CA 1.885 26 residues pruned to eliminate duplicates Z: 24 85.306 2.627 1.393 0.954 1.000 0.391 CB 1.946 24 residues pruned to eliminate duplicates Z: 25 82.828 2.569 1.427 0.949 0.958 0.625 CB 1.953 25 residues pruned to eliminate duplicates Z: 150 120.212 2.514 1.056 0.654 0.946 0.651 CB 1.746 150 residues pruned to eliminate duplicates Z: 11 24.092 2.203 0.976 0.899 0.900 0.900 CB 1.390 11 residues pruned to eliminate duplicates Z: 20 40.404 2.268 1.072 0.791 0.947 0.632 CB 1.612 20 residues pruned to eliminate duplicates Z: 16 66.645 2.609 1.433 0.932 1.000 0.667 CA 1.893 16 residues pruned to eliminate duplicates Z: 29 52.373 2.388 0.871 0.836 0.929 0.679 CB 1.786 29 residues pruned to eliminate duplicates Z: 21 28.702 2.178 0.683 0.796 0.950 0.650 CB 1.422 19 residues pruned to eliminate duplicates Z: 184 140.735 2.541 1.111 0.697 0.934 0.574 CB 1.733 184 residues pruned to eliminate duplicates Z: 32 72.635 2.491 1.434 0.916 0.968 0.645 CB 1.570 32 residues pruned to eliminate duplicates Z: 20 41.264 2.182 1.147 0.860 1.000 0.474 CB 1.485 19 residues pruned to eliminate duplicates Z: 13 25.283 2.207 0.912 0.773 1.000 0.750 CB 1.358 13 residues pruned to eliminate duplicates Z: 25 70.466 2.550 1.355 0.914 0.875 0.500 CB 1.935 25 residues pruned to eliminate duplicates Z: 184 141.204 2.529 1.030 0.706 0.962 0.689 CB 1.753 184 residues pruned to eliminate duplicates Z: 31 66.437 2.555 1.215 0.909 0.900 0.500 CB 1.690 31 residues pruned to eliminate duplicates Z: 24 69.168 2.601 1.017 0.920 1.000 0.826 CA 1.936 24 residues pruned to eliminate duplicates Z: 28 55.738 2.403 0.899 0.911 0.963 0.704 CB 1.730 28 residues pruned to eliminate duplicates Z: 32 51.431 2.381 0.720 0.907 1.000 0.968 CB 1.603 32 residues pruned to eliminate duplicates Z: 27 55.497 2.475 1.023 0.851 0.962 0.692 CB 1.673 27 residues pruned to eliminate duplicates Z: 27 58.540 2.446 0.867 0.920 0.962 0.692 CB 1.841 27 residues pruned to eliminate duplicates Z: 12 27.336 2.220 0.862 0.835 0.909 0.636 CB 1.643 12 residues pruned to eliminate duplicates Z: 27 69.817 2.513 1.363 0.920 0.962 0.538 CB 1.689 27 residues pruned to eliminate duplicates Z: 12 19.615 2.189 0.786 0.722 0.909 0.727 CA 1.362 12 residues pruned to eliminate duplicates Z: 10 26.112 2.453 0.898 0.890 1.000 1.000 CB 1.345 10 residues pruned to eliminate duplicates Z: 28 61.148 2.404 1.020 0.930 0.963 0.815 CB 1.760 28 residues pruned to eliminate duplicates Z: 51 93.295 2.474 1.440 0.839 0.980 0.660 CB 1.666 51 residues pruned to eliminate duplicates Z: 143 118.401 2.531 0.976 0.694 0.958 0.718 CB 1.736 89 residues pruned to eliminate duplicates Z: 26 69.777 2.487 1.099 0.951 1.000 0.920 CA 1.843 26 residues pruned to eliminate duplicates Z: 32 51.654 2.439 0.807 0.907 0.968 0.871 CB 1.546 32 residues pruned to eliminate duplicates Z: 51 72.418 2.373 0.877 0.913 0.960 0.820 CB 1.695 51 residues pruned to eliminate duplicates Z: 25 77.564 2.525 1.435 0.929 0.958 0.500 CB 1.881 25 residues pruned to eliminate duplicates Z: 25 71.313 2.476 1.466 0.961 0.958 0.542 CB 1.703 25 residues pruned to eliminate duplicates Z: 26 62.115 2.477 0.965 0.919 0.960 0.720 CA 1.873 26 residues pruned to eliminate duplicates Z: 19 36.313 2.284 0.801 0.878 1.000 0.778 CB 1.510 19 residues pruned to eliminate duplicates Z: 15 25.429 2.314 0.703 0.729 0.857 0.714 CB 1.636 15 residues pruned to eliminate duplicates Z: 11 29.606 2.389 0.827 0.821 1.000 0.600 CA 1.624 11 residues pruned to eliminate duplicates Z: 20 47.646 2.310 1.056 0.902 1.000 0.421 CB 1.642 20 residues pruned to eliminate duplicates Z: 29 52.146 2.378 0.891 0.805 0.929 0.500 CA 1.808 29 residues pruned to eliminate duplicates Z: 18 39.091 2.305 1.070 0.880 1.000 0.471 CB 1.440 18 residues pruned to eliminate duplicates Z: 26 69.322 2.477 1.209 0.903 0.960 0.760 CB 1.881 26 residues pruned to eliminate duplicates Z: 20 32.433 2.166 0.755 0.860 1.000 0.526 CB 1.440 21 residues pruned to eliminate duplicates Z: 16 25.179 2.191 0.623 0.556 0.933 0.533 CB 1.854 16 residues pruned to eliminate duplicates Z: 7 13.804 2.014 0.428 0.848 0.833 0.667 CA 1.745 7 residues pruned to eliminate duplicates Z: 28 58.378 2.459 0.949 0.926 0.963 0.926 CB 1.707 28 residues pruned to eliminate duplicates Z: 29 51.265 2.342 0.962 0.802 0.929 0.607 CB 1.744 29 residues pruned to eliminate duplicates Z: 11 32.168 2.302 1.292 0.849 1.000 0.600 CB 1.429 11 residues pruned to eliminate duplicates Z: 28 58.106 2.502 0.931 0.841 0.963 0.741 CB 1.792 28 residues pruned to eliminate duplicates Z: 33 66.187 2.420 1.267 0.920 0.969 0.781 CB 1.550 33 residues pruned to eliminate duplicates Z: 19 30.120 2.193 0.750 0.830 1.000 0.556 CB 1.391 19 residues pruned to eliminate duplicates Z: 22 49.381 2.439 0.941 0.803 0.952 0.714 CA 1.833 22 residues pruned to eliminate duplicates Z: 23 53.105 2.440 1.079 0.888 0.955 0.636 CB 1.684 23 residues pruned to eliminate duplicates Z: 146 119.005 2.494 0.977 0.696 0.972 0.655 CB 1.723 146 residues pruned to eliminate duplicates Z: 20 31.336 2.133 0.756 0.884 1.000 0.737 CB 1.386 20 residues pruned to eliminate duplicates Z: 10 40.917 2.647 1.018 0.899 1.000 0.778 CB 1.825 10 residues pruned to eliminate duplicates Z: 7 5.104 1.840 0.020 0.754 0.667 0.667 CA 1.328 7 residues pruned to eliminate duplicates Z: 6 6.009 1.484 0.163 0.870 1.000 0.600 N 1.137 6 residues pruned to eliminate duplicates Z: 173 148.563 2.536 1.214 0.727 0.953 0.599 CB 1.725 173 residues pruned to eliminate duplicates Z: 10 34.352 2.545 0.827 0.892 1.000 0.778 CB 1.768 10 residues pruned to eliminate duplicates Z: 113 98.753 2.531 0.960 0.619 0.938 0.634 CB 1.793 113 residues pruned to eliminate duplicates Z: 28 66.052 2.489 1.314 0.936 1.000 0.481 CB 1.537 28 residues pruned to eliminate duplicates Z: 30 64.060 2.505 0.860 0.947 1.000 0.931 CB 1.764 30 residues pruned to eliminate duplicates Z: 11 23.942 2.307 0.640 0.828 0.900 0.700 CB 1.674 11 residues pruned to eliminate duplicates Z: 33 67.556 2.437 1.182 0.878 0.969 0.750 CB 1.683 33 residues pruned to eliminate duplicates Z: 18 28.266 2.294 0.597 0.837 1.000 0.706 CB 1.399 18 residues pruned to eliminate duplicates Z: 184 146.001 2.543 1.161 0.716 0.945 0.514 CB 1.708 142 residues pruned to eliminate duplicates Z: 38 59.338 2.501 1.027 0.628 0.946 0.649 CB 1.803 38 residues pruned to eliminate duplicates Z: 19 31.182 2.275 0.642 0.827 0.944 0.667 CB 1.570 19 residues pruned to eliminate duplicates Z: 28 63.692 2.484 1.170 0.827 0.963 0.704 CB 1.781 28 residues pruned to eliminate duplicates Z: 143 126.130 2.524 1.195 0.664 0.958 0.592 CB 1.714 143 residues pruned to eliminate duplicates Z: 20 22.765 2.175 0.706 0.705 0.842 0.474 CB 1.387 20 residues pruned to eliminate duplicates Z: 13 34.913 2.368 0.815 0.884 0.917 0.667 CA 1.848 13 residues pruned to eliminate duplicates Z: 21 45.638 2.473 1.202 0.786 0.850 0.500 CB 1.715 21 residues pruned to eliminate duplicates Z: 31 72.906 2.515 1.414 0.934 0.967 0.400 CB 1.582 31 residues pruned to eliminate duplicates Z: 10 23.512 2.310 0.617 0.817 1.000 0.778 CA 1.594 10 residues pruned to eliminate duplicates Z: 21 41.943 2.378 0.930 0.897 0.850 0.450 CB 1.721 21 residues pruned to eliminate duplicates Z: 47 82.252 2.463 1.289 0.791 0.957 0.630 CB 1.741 47 residues pruned to eliminate duplicates Z: 142 131.004 2.534 1.242 0.711 0.950 0.539 CB 1.687 129 residues pruned to eliminate duplicates Z: 215 157.871 2.505 1.113 0.740 0.958 0.678 CB 1.717 217 residues pruned to eliminate duplicates Z: 28 70.561 2.352 1.581 0.935 1.000 0.667 CB 1.559 28 residues pruned to eliminate duplicates Z: 28 62.598 2.505 0.932 0.834 1.000 0.667 CA 1.867 28 residues pruned to eliminate duplicates Z: 16 26.870 2.420 0.820 0.556 0.933 0.533 CB 1.599 16 residues pruned to eliminate duplicates Z: 18 38.683 2.305 0.966 0.863 1.000 0.529 CB 1.519 18 residues pruned to eliminate duplicates Z: 6 7.311 1.986 0.112 0.700 0.800 0.600 CA 1.542 6 residues pruned to eliminate duplicates Z: 129 126.018 2.557 1.104 0.727 0.969 0.695 CB 1.742 129 residues pruned to eliminate duplicates Z: 28 55.343 2.510 1.060 0.915 0.926 0.519 CB 1.573 28 residues pruned to eliminate duplicates Z: 28 58.389 2.499 0.859 0.917 1.000 0.815 CB 1.707 28 residues pruned to eliminate duplicates Z: 14 13.418 1.936 0.535 0.512 0.923 0.385 CB 1.341 14 residues pruned to eliminate duplicates Z: 31 74.623 2.534 1.334 0.936 0.933 0.867 CB 1.719 31 residues pruned to eliminate duplicates Z: 176 142.256 2.548 1.175 0.673 0.949 0.520 CB 1.745 176 residues pruned to eliminate duplicates Z: 17 57.634 2.449 1.516 0.868 1.000 0.625 CB 1.710 17 residues pruned to eliminate duplicates Z: 19 48.924 2.277 1.612 0.931 0.889 0.333 CB 1.524 19 residues pruned to eliminate duplicates Z: 26 66.291 2.471 1.223 0.914 0.960 0.640 CB 1.778 26 residues pruned to eliminate duplicates Z: 30 76.922 2.569 1.326 0.959 1.000 0.828 CB 1.639 30 residues pruned to eliminate duplicates Z: 26 63.736 2.450 0.878 0.943 1.000 0.960 CA 1.920 24 residues pruned to eliminate duplicates Z: 19 39.218 2.294 0.865 0.867 1.000 0.667 CB 1.580 19 residues pruned to eliminate duplicates Z: 28 64.806 2.500 1.408 0.922 0.926 0.630 CB 1.574 28 residues pruned to eliminate duplicates Z: 28 52.183 2.425 0.889 0.804 0.926 0.741 CA 1.815 28 residues pruned to eliminate duplicates Z: 24 56.438 2.475 1.339 0.945 0.826 0.304 CB 1.703 24 residues pruned to eliminate duplicates Z: 26 55.577 2.455 0.879 0.913 0.960 0.720 CA 1.776 26 residues pruned to eliminate duplicates Z: 183 146.748 2.537 1.159 0.691 0.951 0.577 CB 1.754 179 residues pruned to eliminate duplicates Z: 11 20.137 2.409 0.405 0.732 0.900 0.700 CA 1.698 16 residues pruned to eliminate duplicates Z: 29 59.042 2.449 0.954 0.804 0.964 0.643 CA 1.855 29 residues pruned to eliminate duplicates Z: 48 67.425 2.366 0.958 0.752 0.957 0.660 CB 1.772 48 residues pruned to eliminate duplicates Z: 180 141.532 2.520 1.193 0.690 0.939 0.587 CB 1.715 180 residues pruned to eliminate duplicates Z: 6 3.088 1.659 0.323 0.280 0.600 0.400 N 1.345 Z: 65 86.165 2.518 0.895 0.807 0.953 0.875 CB 1.812 65 residues pruned to eliminate duplicates Z: 27 73.530 2.533 1.365 0.933 1.000 0.538 CB 1.679 27 residues pruned to eliminate duplicates Z: 183 129.709 2.471 1.047 0.712 0.923 0.654 CB 1.698 183 residues pruned to eliminate duplicates Z: 7 7.502 1.853 0.292 0.513 0.833 0.667 CB 1.516 7 residues pruned to eliminate duplicates Z: 171 146.501 2.526 1.192 0.739 0.959 0.653 CB 1.709 171 residues pruned to eliminate duplicates Z: 30 69.851 2.579 1.080 0.914 1.000 0.862 CB 1.710 30 residues pruned to eliminate duplicates Z: 27 69.830 2.510 1.407 0.941 0.962 0.692 CB 1.635 27 residues pruned to eliminate duplicates Z: 11 37.312 2.551 0.889 0.873 1.000 0.800 CA 1.783 11 residues pruned to eliminate duplicates Z: 89 90.580 2.436 1.008 0.681 0.943 0.636 CB 1.772 89 residues pruned to eliminate duplicates Z: 182 135.734 2.503 1.006 0.690 0.972 0.702 CB 1.737 118 residues pruned to eliminate duplicates Z: 177 135.431 2.491 1.115 0.679 0.966 0.557 CB 1.701 142 residues pruned to eliminate duplicates Z: 17 42.580 2.435 0.804 0.927 1.000 1.000 CB 1.698 17 residues pruned to eliminate duplicates Z: 26 58.163 2.445 0.949 0.899 0.960 0.600 CA 1.818 26 residues pruned to eliminate duplicates Z: 20 27.116 2.224 0.717 0.489 0.947 0.579 CA 1.739 20 residues pruned to eliminate duplicates Z: 130 125.124 2.510 1.208 0.747 0.946 0.519 CB 1.686 130 residues pruned to eliminate duplicates Z: 84 84.772 2.514 0.918 0.729 0.928 0.783 CB 1.692 84 residues pruned to eliminate duplicates Z: 42 38.228 2.197 0.827 0.527 0.927 0.610 CB 1.564 42 residues pruned to eliminate duplicates Z: 18 49.493 2.372 1.349 0.907 0.941 0.529 CB 1.628 18 residues pruned to eliminate duplicates Z: 10 9.524 1.977 0.227 0.452 1.000 0.556 CB 1.375 10 residues pruned to eliminate duplicates Z: 11 30.339 2.370 0.849 0.838 1.000 0.900 CA 1.637 11 residues pruned to eliminate duplicates Z: 187 146.062 2.502 1.214 0.676 0.952 0.554 CB 1.728 187 residues pruned to eliminate duplicates Z: 80 79.339 2.471 0.982 0.657 0.949 0.620 CB 1.660 80 residues pruned to eliminate duplicates Z: 21 43.190 2.220 1.036 0.901 0.950 0.750 CA 1.606 21 residues pruned to eliminate duplicates Z: 20 28.632 2.209 0.824 0.776 0.895 0.632 CB 1.428 20 residues pruned to eliminate duplicates Z: 148 107.538 2.437 0.936 0.690 0.952 0.721 CB 1.660 148 residues pruned to eliminate duplicates Z: 130 124.084 2.545 1.061 0.742 0.946 0.760 CB 1.773 130 residues pruned to eliminate duplicates Z: 11 35.228 2.436 1.049 0.852 1.000 0.800 CB 1.650 10 residues pruned to eliminate duplicates Z: 183 144.974 2.551 1.140 0.683 0.945 0.626 CB 1.761 116 residues pruned to eliminate duplicates Z: 32 76.283 2.450 1.575 0.922 0.968 0.387 CB 1.579 32 residues pruned to eliminate duplicates Z: 29 58.030 2.270 1.256 0.914 0.964 0.536 CB 1.570 29 residues pruned to eliminate duplicates Z: 74 63.713 2.407 0.853 0.539 0.890 0.575 CB 1.806 74 residues pruned to eliminate duplicates Z: 19 34.327 2.256 0.720 0.868 1.000 0.722 CB 1.524 19 residues pruned to eliminate duplicates Z: 47 77.937 2.435 1.132 0.801 0.978 0.761 CB 1.739 48 residues pruned to eliminate duplicates Z: 21 29.884 2.144 0.854 0.742 0.900 0.350 CB 1.504 21 residues pruned to eliminate duplicates Z: 33 47.199 2.336 0.894 0.665 0.875 0.531 CB 1.851 33 residues pruned to eliminate duplicates Z: 19 32.782 2.272 0.856 0.779 0.944 0.833 CB 1.517 19 residues pruned to eliminate duplicates Z: 14 39.362 2.257 1.073 0.875 1.000 0.769 CA 1.697 14 residues pruned to eliminate duplicates Z: 6 2.341 1.412 0.491 0.477 0.800 0.600 C 0.636 Z: 8 10.720 1.770 0.561 0.808 1.000 0.857 CB 1.121 Z: 44 59.504 2.520 0.881 0.696 0.907 0.535 CB 1.765 44 residues pruned to eliminate duplicates Z: 140 109.271 2.499 0.997 0.680 0.935 0.662 CB 1.683 148 residues pruned to eliminate duplicates Z: 18 44.383 2.321 1.269 0.863 0.941 0.765 CB 1.593 18 residues pruned to eliminate duplicates Z: 23 53.147 2.375 1.130 0.848 0.955 0.727 CB 1.741 23 residues pruned to eliminate duplicates Z: 18 43.402 2.350 1.177 0.886 1.000 0.706 CB 1.484 18 residues pruned to eliminate duplicates Z: 10 27.059 2.246 1.209 0.890 0.778 0.778 CA 1.681 10 residues pruned to eliminate duplicates Z: 7 15.726 2.012 0.750 0.778 1.000 0.833 CB 1.426 7 residues pruned to eliminate duplicates Z: 19 39.304 2.271 0.890 0.883 1.000 0.611 CB 1.560 19 residues pruned to eliminate duplicates Z: 8 4.116 1.699 0.576 0.352 0.714 0.286 C 0.954 Z: 8 8.036 1.672 0.223 0.805 0.857 0.429 CB 1.328 Z: 20 33.433 2.095 0.929 0.897 1.000 0.579 CB 1.359 20 residues pruned to eliminate duplicates Z: 7 2.352 1.480 0.647 0.355 0.667 0.667 N 0.691 Z: 26 48.276 2.491 0.845 0.870 0.920 0.640 CB 1.667 26 residues pruned to eliminate duplicates 6 1.917 1.630 0.525 0.464 0.600 0.600 CB 0.596 ? Z: 7 5.798 1.478 0.529 0.387 1.000 0.500 O 1.181 Z: 19 27.614 2.200 0.449 0.850 1.000 0.778 CB 1.512 19 residues pruned to eliminate duplicates Z: 24 58.803 2.541 0.801 0.949 1.000 1.000 CA 1.849 24 residues pruned to eliminate duplicates Z: 7 11.631 2.016 0.414 0.863 0.833 0.667 CB 1.467 Z: 13 9.840 2.096 0.380 0.376 0.833 0.750 CB 1.345 13 residues pruned to eliminate duplicates Z: 18 59.619 2.368 1.773 0.857 0.941 0.412 CB 1.725 18 residues pruned to eliminate duplicates Z: 30 47.124 2.427 0.937 0.630 0.966 0.690 CB 1.706 30 residues pruned to eliminate duplicates Z: 15 42.200 2.437 1.004 0.824 1.000 0.857 CA 1.743 15 residues pruned to eliminate duplicates Z: 19 37.077 2.291 0.975 0.854 0.944 0.611 CB 1.510 19 residues pruned to eliminate duplicates Z: 11 30.598 2.294 1.017 0.895 1.000 0.800 CB 1.499 11 residues pruned to eliminate duplicates Z: 29 40.726 2.485 0.978 0.626 0.821 0.786 CB 1.692 29 residues pruned to eliminate duplicates Z: 181 139.854 2.513 1.100 0.699 0.967 0.644 CB 1.704 153 residues pruned to eliminate duplicates Z: 6 8.747 1.780 0.471 0.852 1.000 1.000 CB 1.105 6 residues pruned to eliminate duplicates Z: 25 73.049 2.532 1.556 0.890 1.000 0.625 CB 1.658 25 residues pruned to eliminate duplicates Z: 58 68.436 2.460 1.028 0.661 0.947 0.544 CB 1.652 103 residues pruned to eliminate duplicates Z: 62 64.799 2.442 1.048 0.566 0.918 0.623 CB 1.695 53 residues pruned to eliminate duplicates Z: 134 128.891 2.542 1.215 0.673 0.977 0.602 CB 1.730 142 residues pruned to eliminate duplicates Z: 28 55.506 2.435 0.938 0.840 0.963 0.704 CA 1.754 28 residues pruned to eliminate duplicates Z: 76 80.566 2.542 0.949 0.652 0.947 0.733 CB 1.721 68 residues pruned to eliminate duplicates Z: 18 50.455 2.329 1.484 0.899 0.882 0.176 CB 1.714 18 residues pruned to eliminate duplicates Z: 10 39.550 2.502 1.068 0.920 1.000 0.889 CA 1.794 10 residues pruned to eliminate duplicates Z: 90 99.054 2.517 1.142 0.680 0.966 0.573 CB 1.708 90 residues pruned to eliminate duplicates Z: 180 141.516 2.534 1.119 0.678 0.950 0.631 CB 1.762 180 residues pruned to eliminate duplicates Z: 55 101.180 2.642 1.209 0.809 1.000 0.778 CB 1.802 52 residues pruned to eliminate duplicates Z: 35 59.720 2.453 0.891 0.793 0.971 0.735 CB 1.760 35 residues pruned to eliminate duplicates Z: 7 10.826 1.911 1.085 0.834 1.000 0.667 CB 0.832 Z: 181 147.002 2.555 1.107 0.689 0.961 0.550 CB 1.781 181 residues pruned to eliminate duplicates Z: 7 10.040 1.837 0.327 0.848 1.000 0.833 CB 1.248 6 residues pruned to eliminate duplicates Z: 31 64.580 2.503 0.964 0.937 0.967 0.933 CB 1.727 31 residues pruned to eliminate duplicates Z: 76 86.646 2.490 1.066 0.779 0.960 0.680 CB 1.584 76 residues pruned to eliminate duplicates Z: 33 59.816 2.407 0.941 0.916 0.969 0.844 CB 1.651 33 residues pruned to eliminate duplicates Z: 29 42.282 2.485 0.850 0.649 0.964 0.536 CB 1.568 29 residues pruned to eliminate duplicates Z: 39 60.612 2.533 0.970 0.624 0.974 0.684 CB 1.801 39 residues pruned to eliminate duplicates Z: 133 131.848 2.558 1.209 0.727 0.970 0.568 CB 1.707 133 residues pruned to eliminate duplicates Z: 75 103.126 2.573 1.275 0.726 0.959 0.514 CB 1.741 75 residues pruned to eliminate duplicates Z: 15 35.874 2.180 1.203 0.916 0.857 0.571 CB 1.644 Z: 27 49.154 2.360 0.871 0.825 0.923 0.731 CB 1.785 27 residues pruned to eliminate duplicates Z: 7 3.412 1.519 0.030 0.378 0.833 0.667 C 1.217 Z: 13 36.879 2.446 0.809 0.899 1.000 0.917 CA 1.720 13 residues pruned to eliminate duplicates Z: 10 28.729 2.089 1.113 0.909 1.000 0.778 CA 1.540 10 residues pruned to eliminate duplicates Z: 171 152.238 2.545 1.242 0.733 0.965 0.594 CB 1.720 171 residues pruned to eliminate duplicates Z: 14 39.593 2.295 1.354 0.940 0.923 0.385 CB 1.530 15 residues pruned to eliminate duplicates Z: 21 67.359 2.636 1.451 0.912 0.950 0.800 CB 1.738 21 residues pruned to eliminate duplicates Z: 6 7.885 1.959 0.181 0.594 1.000 0.600 CA 1.393 Z: 125 107.479 2.450 1.149 0.687 0.944 0.581 CB 1.637 134 residues pruned to eliminate duplicates Z: 14 50.285 2.435 1.455 0.943 0.923 0.538 CB 1.751 14 residues pruned to eliminate duplicates Z: 28 56.802 2.429 1.123 0.814 0.926 0.667 CB 1.741 28 residues pruned to eliminate duplicates Z: 144 134.009 2.520 1.197 0.711 0.979 0.636 CB 1.707 145 residues pruned to eliminate duplicates Z: 182 132.094 2.459 1.093 0.670 0.967 0.564 CB 1.685 174 residues pruned to eliminate duplicates Z: 6 9.542 1.751 1.000 0.629 1.000 0.800 CA 1.080 Z: 122 113.326 2.492 1.156 0.652 0.967 0.620 CB 1.722 122 residues pruned to eliminate duplicates Z: 7 6.580 1.511 0.350 0.823 0.833 0.667 CB 1.194 Z: 42 46.645 2.449 0.810 0.536 0.878 0.537 CB 1.806 42 residues pruned to eliminate duplicates Z: 10 15.506 2.146 0.533 0.750 0.778 0.556 CB 1.616 10 residues pruned to eliminate duplicates Z: 182 141.972 2.498 1.107 0.701 0.972 0.619 CB 1.717 182 residues pruned to eliminate duplicates Z: 13 14.649 2.333 0.735 0.320 0.833 0.417 CB 1.528 13 residues pruned to eliminate duplicates Z: 28 54.840 2.417 0.854 0.844 0.963 0.630 CA 1.819 28 residues pruned to eliminate duplicates Z: 8 6.586 1.808 0.668 0.535 0.857 0.714 CB 0.930 8 residues pruned to eliminate duplicates Z: 6 5.875 1.810 0.804 0.331 0.800 0.400 CB 1.210 Z: 28 52.452 2.314 0.871 0.913 0.963 0.704 CA 1.713 28 residues pruned to eliminate duplicates Z: 76 102.138 2.547 1.267 0.782 0.947 0.667 CB 1.684 76 residues pruned to eliminate duplicates Z: 69 64.941 2.446 0.982 0.520 0.926 0.544 CB 1.719 69 residues pruned to eliminate duplicates Z: 8 3.062 1.344 0.919 0.752 0.857 0.714 N 0.418 Z: 17 42.734 2.352 0.882 0.881 1.000 0.875 CA 1.749 17 residues pruned to eliminate duplicates Z: 14 13.273 1.991 0.425 0.500 1.000 0.538 CB 1.298 14 residues pruned to eliminate duplicates Z: 76 74.294 2.466 1.015 0.615 0.933 0.613 CB 1.659 76 residues pruned to eliminate duplicates Z: 6 4.873 1.678 0.672 0.559 1.000 0.400 CB 0.734 Z: 11 5.917 1.742 0.245 0.582 0.900 0.500 CB 0.886 11 residues pruned to eliminate duplicates Z: 48 55.553 2.416 0.943 0.532 0.915 0.596 CB 1.828 48 residues pruned to eliminate duplicates 6 1.190 1.279 0.468 0.454 1.000 0.400 CB 0.297 ? Z: 149 109.421 2.477 0.934 0.661 0.932 0.655 CB 1.733 149 residues pruned to eliminate duplicates Z: 34 51.910 2.446 0.967 0.700 0.970 0.727 CB 1.614 34 residues pruned to eliminate duplicates Z: 28 64.069 2.428 1.346 0.933 0.963 0.519 CB 1.569 28 residues pruned to eliminate duplicates Z: 13 38.957 2.612 0.720 0.841 1.000 0.917 CB 1.867 13 residues pruned to eliminate duplicates Z: 18 30.378 2.247 1.133 0.827 0.882 0.294 CB 1.314 25 residues pruned to eliminate duplicates Z: 168 137.720 2.512 1.169 0.687 0.964 0.533 CB 1.709 168 residues pruned to eliminate duplicates Z: 121 115.502 2.492 1.179 0.690 0.967 0.583 CB 1.688 121 residues pruned to eliminate duplicates Z: 47 74.207 2.437 0.976 0.810 0.978 0.761 CB 1.773 17 residues pruned to eliminate duplicates Z: 7 13.021 1.911 0.726 0.783 1.000 0.833 CA 1.257 7 residues pruned to eliminate duplicates Z: 6 2.173 1.259 0.787 0.408 0.600 0.600 N 0.792 Z: 25 80.348 2.586 1.303 0.951 0.958 0.500 CB 1.980 25 residues pruned to eliminate duplicates Z: 46 63.105 2.526 0.939 0.601 0.933 0.556 CB 1.869 46 residues pruned to eliminate duplicates Z: 34 24.159 2.143 0.665 0.365 0.909 0.485 CB 1.500 34 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 20 37.861 2.194 0.910 0.888 1.000 0.842 CB 1.494 20 residues pruned to eliminate duplicates Z: 20 33.510 2.188 0.780 0.882 1.000 0.632 CB 1.429 20 residues pruned to eliminate duplicates Z: 47 75.047 2.477 1.088 0.791 0.957 0.761 CB 1.732 47 residues pruned to eliminate duplicates Z: 18 37.737 2.339 0.909 0.861 1.000 0.824 CB 1.507 18 residues pruned to eliminate duplicates Z: 35 56.402 2.458 0.977 0.754 0.941 0.588 CB 1.687 35 residues pruned to eliminate duplicates Z: 229 170.921 2.554 1.186 0.706 0.956 0.623 CB 1.758 229 residues pruned to eliminate duplicates Z: 48 73.201 2.414 1.076 0.778 0.957 0.766 CB 1.741 48 residues pruned to eliminate duplicates Z: 46 78.693 2.480 1.089 0.810 0.956 0.756 CB 1.809 45 residues pruned to eliminate duplicates Z: 17 40.404 2.373 1.178 0.868 0.938 0.812 CB 1.523 19 residues pruned to eliminate duplicates Z: 18 40.381 2.271 1.110 0.816 1.000 0.706 CB 1.553 18 residues pruned to eliminate duplicates Z: 46 74.414 2.471 1.048 0.794 0.956 0.711 CB 1.773 46 residues pruned to eliminate duplicates Z: 48 77.025 2.435 1.186 0.789 0.957 0.596 CB 1.710 47 residues pruned to eliminate duplicates Z: 18 38.555 2.346 1.206 0.796 0.941 0.588 CB 1.481 18 residues pruned to eliminate duplicates Z: 49 69.312 2.427 1.133 0.755 0.917 0.667 CB 1.680 44 residues pruned to eliminate duplicates Z: 19 34.192 2.249 1.022 0.824 0.944 0.389 CB 1.417 19 residues pruned to eliminate duplicates Z: 46 81.347 2.493 1.129 0.808 0.978 0.822 CB 1.787 49 residues pruned to eliminate duplicates Z: 19 40.089 2.308 1.428 0.762 0.889 0.667 CB 1.503 22 residues pruned to eliminate duplicates Z: 41 83.752 2.546 1.093 0.868 1.000 0.700 CB 1.816 41 residues pruned to eliminate duplicates Z: 48 74.285 2.397 1.054 0.796 0.979 0.702 CB 1.734 48 residues pruned to eliminate duplicates Z: 46 76.176 2.478 0.932 0.812 1.000 0.733 CB 1.808 46 residues pruned to eliminate duplicates Z: 46 84.338 2.486 1.287 0.808 0.956 0.644 CB 1.769 46 residues pruned to eliminate duplicates Z: 27 74.558 2.487 1.216 0.915 1.000 0.654 CA 1.875 27 residues pruned to eliminate duplicates Z: 25 72.891 2.583 1.072 0.943 0.958 0.667 CB 2.010 25 residues pruned to eliminate duplicates Z: 45 91.845 2.505 1.311 0.827 1.000 0.636 CB 1.803 45 residues pruned to eliminate duplicates Z: 18 35.101 2.351 0.743 0.861 0.882 0.412 CB 1.729 18 residues pruned to eliminate duplicates Z: 226 169.973 2.553 1.173 0.710 0.960 0.649 CB 1.759 269 residues pruned to eliminate duplicates Z: 48 77.607 2.446 1.241 0.770 0.979 0.617 CB 1.662 Z: 23 80.185 2.674 1.301 0.942 0.955 0.500 CB 2.019 26 residues pruned to eliminate duplicates Z: 26 75.665 2.492 1.256 0.949 0.960 0.560 CA 1.935 26 residues pruned to eliminate duplicates Z: 46 83.626 2.492 1.349 0.803 0.956 0.578 CB 1.710 47 residues pruned to eliminate duplicates Z: 27 77.429 2.477 1.375 0.907 0.962 0.615 CB 1.908 27 residues pruned to eliminate duplicates Z: 228 177.491 2.554 1.235 0.713 0.978 0.586 CB 1.740 272 residues pruned to eliminate duplicates Z: 93 107.209 2.465 1.169 0.737 0.978 0.565 CB 1.727 93 residues pruned to eliminate duplicates Z: 89 107.959 2.518 1.237 0.732 0.943 0.557 CB 1.759 89 residues pruned to eliminate duplicates Z: 47 80.204 2.438 1.295 0.782 0.978 0.587 CB 1.685 Z: 25 83.085 2.557 1.645 0.926 0.917 0.458 CB 1.918 26 residues pruned to eliminate duplicates Z: 25 98.008 2.601 1.628 0.941 1.000 0.292 CB 2.031 26 residues pruned to eliminate duplicates Z: 26 83.705 2.551 1.428 0.955 0.960 0.560 CB 1.936 26 residues pruned to eliminate duplicates Z: 46 85.877 2.472 1.319 0.810 0.978 0.600 CB 1.743 46 residues pruned to eliminate duplicates Z: 25 78.351 2.559 1.344 0.939 0.958 0.333 CB 1.934 25 residues pruned to eliminate duplicates Z: 50 68.301 2.340 1.279 0.747 0.939 0.469 CB 1.563 50 residues pruned to eliminate duplicates Z: 147 128.880 2.520 1.210 0.684 0.973 0.514 CB 1.664 147 residues pruned to eliminate duplicates Z: 183 153.514 2.570 1.208 0.694 0.962 0.571 CB 1.746 183 residues pruned to eliminate duplicates Z: 182 147.499 2.563 1.182 0.709 0.939 0.558 CB 1.727 182 residues pruned to eliminate duplicates Z: 184 145.337 2.562 1.119 0.682 0.945 0.596 CB 1.771 184 residues pruned to eliminate duplicates Z: 133 136.442 2.576 1.281 0.728 0.955 0.598 CB 1.724 133 residues pruned to eliminate duplicates Z: 141 144.796 2.573 1.324 0.711 0.979 0.564 CB 1.728 141 residues pruned to eliminate duplicates Z: 180 146.184 2.545 1.212 0.689 0.939 0.598 CB 1.739 180 residues pruned to eliminate duplicates Z: 182 152.246 2.559 1.166 0.698 0.972 0.602 CB 1.752 148 residues pruned to eliminate duplicates Z: 6 6.769 1.951 0.855 0.797 1.000 0.600 CB 0.645 Z: 6 6.373 2.058 0.460 0.710 1.000 0.200 CB 0.784 6 residues pruned to eliminate duplicates Z: 184 148.829 2.555 1.189 0.691 0.956 0.514 CB 1.726 190 residues pruned to eliminate duplicates Z: 143 144.854 2.572 1.242 0.739 0.979 0.577 CB 1.738 143 residues pruned to eliminate duplicates Z: 61 80.148 2.571 1.102 0.731 0.883 0.600 CB 1.762 61 residues pruned to eliminate duplicates Z: 142 134.673 2.554 1.262 0.704 0.957 0.624 CB 1.703 142 residues pruned to eliminate duplicates Z: 143 135.283 2.548 1.244 0.704 0.965 0.662 CB 1.709 143 residues pruned to eliminate duplicates Z: 184 140.958 2.512 1.176 0.680 0.951 0.601 CB 1.699 184 residues pruned to eliminate duplicates Z: 170 150.850 2.583 1.191 0.733 0.935 0.615 CB 1.779 170 residues pruned to eliminate duplicates Z: 23 35.007 2.367 0.875 0.764 0.909 0.727 CB 1.464 23 residues pruned to eliminate duplicates Z: 74 75.402 2.483 1.037 0.635 0.904 0.534 CB 1.700 74 residues pruned to eliminate duplicates Z: 184 148.321 2.560 1.172 0.692 0.951 0.612 CB 1.740 184 residues pruned to eliminate duplicates Z: 184 150.877 2.551 1.182 0.680 0.967 0.574 CB 1.756 184 residues pruned to eliminate duplicates Z: 15 33.581 2.512 1.129 0.673 0.929 0.714 CB 1.541 15 residues pruned to eliminate duplicates Z: 179 145.023 2.564 1.174 0.681 0.938 0.545 CB 1.760 179 residues pruned to eliminate duplicates Z: 29 40.420 2.412 0.901 0.657 0.857 0.607 CB 1.679 29 residues pruned to eliminate duplicates Z: 179 138.598 2.521 1.152 0.666 0.955 0.612 CB 1.720 179 residues pruned to eliminate duplicates Z: 116 115.236 2.527 1.210 0.722 0.913 0.496 CB 1.725 116 residues pruned to eliminate duplicates Z: 169 148.851 2.580 1.203 0.730 0.940 0.536 CB 1.748 169 residues pruned to eliminate duplicates Z: 181 136.259 2.519 1.148 0.677 0.933 0.550 CB 1.707 81 residues pruned to eliminate duplicates Z: 28 61.292 2.514 1.031 0.841 0.926 0.630 CB 1.861 28 residues pruned to eliminate duplicates Z: 184 154.535 2.561 1.267 0.690 0.951 0.579 CB 1.739 180 residues pruned to eliminate duplicates Z: 27 52.626 2.424 1.167 0.865 0.808 0.462 CB 1.782 27 residues pruned to eliminate duplicates Z: 231 163.590 2.535 1.122 0.712 0.948 0.635 CB 1.746 276 residues pruned to eliminate duplicates Z: 185 150.371 2.548 1.187 0.695 0.951 0.446 CB 1.750 185 residues pruned to eliminate duplicates Z: 45 65.428 2.478 1.001 0.674 0.909 0.591 CB 1.863 45 residues pruned to eliminate duplicates Z: 114 115.046 2.517 1.188 0.720 0.947 0.611 CB 1.702 114 residues pruned to eliminate duplicates Z: 28 59.128 2.452 0.937 0.851 0.926 0.630 CB 1.915 28 residues pruned to eliminate duplicates Z: 45 64.935 2.493 1.083 0.662 0.886 0.477 CB 1.830 45 residues pruned to eliminate duplicates Z: 37 56.682 2.565 0.855 0.628 0.944 0.611 CB 1.864 37 residues pruned to eliminate duplicates Z: 58 89.542 2.564 1.112 0.701 0.965 0.579 CB 1.889 58 residues pruned to eliminate duplicates Z: 39 59.657 2.484 0.954 0.610 0.947 0.684 CB 1.896 39 residues pruned to eliminate duplicates Z: 182 151.340 2.547 1.200 0.696 0.950 0.519 CB 1.767 182 residues pruned to eliminate duplicates Z: 229 162.938 2.519 1.116 0.707 0.952 0.566 CB 1.763 229 residues pruned to eliminate duplicates Z: 37 66.752 2.579 1.099 0.640 0.944 0.722 CB 1.910 37 residues pruned to eliminate duplicates Z: 183 147.245 2.553 1.181 0.685 0.940 0.604 CB 1.761 183 residues pruned to eliminate duplicates Z: 46 56.701 2.470 0.862 0.629 0.911 0.578 CB 1.787 46 residues pruned to eliminate duplicates Z: 183 149.928 2.551 1.172 0.687 0.962 0.566 CB 1.758 183 residues pruned to eliminate duplicates Z: 230 167.979 2.536 1.130 0.712 0.965 0.668 CB 1.756 230 residues pruned to eliminate duplicates Z: 44 74.401 2.526 1.073 0.684 0.977 0.628 CB 1.872 42 residues pruned to eliminate duplicates Z: 28 53.419 2.453 0.864 0.838 0.926 0.630 CA 1.815 28 residues pruned to eliminate duplicates Z: 74 80.899 2.511 0.989 0.644 0.945 0.616 CB 1.754 74 residues pruned to eliminate duplicates Z: 38 59.625 2.523 0.980 0.597 0.919 0.649 CB 1.947 38 residues pruned to eliminate duplicates Z: 185 153.555 2.554 1.175 0.693 0.967 0.620 CB 1.766 185 residues pruned to eliminate duplicates Z: 22 39.551 2.305 0.790 0.828 0.952 0.762 CA 1.654 Z: 29 62.538 2.505 0.957 0.799 1.000 0.786 CA 1.856 51 residues pruned to eliminate duplicates Z: 181 141.568 2.532 1.211 0.671 0.939 0.544 CB 1.714 181 residues pruned to eliminate duplicates Z: 184 153.993 2.551 1.247 0.692 0.945 0.563 CB 1.762 184 residues pruned to eliminate duplicates Z: 170 148.843 2.564 1.223 0.689 0.953 0.633 CB 1.774 170 residues pruned to eliminate duplicates Z: 45 68.240 2.530 1.037 0.647 0.932 0.727 CB 1.868 45 residues pruned to eliminate duplicates Z: 14 38.641 2.429 0.995 0.669 1.000 0.692 CB 1.892 14 residues pruned to eliminate duplicates Z: 125 127.180 2.552 1.157 0.727 0.952 0.605 CB 1.777 125 residues pruned to eliminate duplicates Z: 183 158.249 2.560 1.221 0.696 0.973 0.615 CB 1.774 183 residues pruned to eliminate duplicates Z: 182 158.960 2.577 1.204 0.705 0.972 0.591 CB 1.775 182 residues pruned to eliminate duplicates Z: 182 155.158 2.547 1.217 0.688 0.967 0.564 CB 1.778 182 residues pruned to eliminate duplicates Z: 183 160.422 2.571 1.183 0.702 0.989 0.648 CB 1.781 43 residues pruned to eliminate duplicates Z: 10 13.280 2.189 0.326 0.485 0.889 0.333 CA 1.741 Z: 11 17.701 2.233 0.618 0.594 0.800 0.200 CA 1.770 21 residues pruned to eliminate duplicates Z: 182 145.764 2.554 1.068 0.693 0.967 0.680 CB 1.779 41 residues pruned to eliminate duplicates Z: 9 7.654 1.797 0.553 0.287 0.875 0.250 N 1.408 Z: 6 7.917 2.124 0.885 0.231 1.000 0.400 CA 1.210 5 residues pruned to eliminate duplicates Z: 8 6.141 2.014 0.628 0.394 0.571 0.571 CA 1.386 4 residues pruned to eliminate duplicates Z: 8 7.891 1.749 0.776 0.442 0.857 0.286 CA 1.189 22 residues pruned to eliminate duplicates Z: 160 128.668 2.533 0.964 0.680 0.956 0.667 CB 1.818 160 residues pruned to eliminate duplicates Z: 70 74.525 2.509 0.929 0.617 0.957 0.681 CB 1.735 70 residues pruned to eliminate duplicates Z: 180 137.911 2.548 0.972 0.691 0.966 0.665 CB 1.782 180 residues pruned to eliminate duplicates Z: 182 144.150 2.560 1.070 0.684 0.950 0.652 CB 1.798 182 residues pruned to eliminate duplicates Z: 20 15.935 2.124 0.738 0.341 0.789 0.421 CB 1.491 20 residues pruned to eliminate duplicates Z: 71 76.692 2.528 0.948 0.609 0.957 0.586 CB 1.754 71 residues pruned to eliminate duplicates Z: 182 136.059 2.541 1.024 0.683 0.934 0.608 CB 1.780 182 residues pruned to eliminate duplicates Z: 130 122.525 2.569 1.036 0.723 0.953 0.713 CB 1.768 130 residues pruned to eliminate duplicates Z: 69 77.384 2.553 0.910 0.610 0.971 0.676 CB 1.787 69 residues pruned to eliminate duplicates Z: 171 148.935 2.574 1.085 0.734 0.965 0.700 CB 1.789 171 residues pruned to eliminate duplicates Z: 79 93.984 2.567 1.073 0.669 0.962 0.654 CB 1.780 79 residues pruned to eliminate duplicates Z: 184 141.979 2.559 1.024 0.712 0.940 0.645 CB 1.779 144 residues pruned to eliminate duplicates Z: 6 5.733 2.028 0.344 0.264 0.800 0.600 CA 1.540 Z: 6 6.118 1.956 0.320 0.379 1.000 0.600 CB 1.205 5 residues pruned to eliminate duplicates Z: 9 10.111 1.767 0.697 0.476 1.000 0.375 CA 1.221 16 residues pruned to eliminate duplicates Z: 71 82.297 2.530 1.064 0.610 0.957 0.700 CB 1.772 71 residues pruned to eliminate duplicates Z: 112 104.591 2.542 1.010 0.630 0.946 0.640 CB 1.817 112 residues pruned to eliminate duplicates Z: 183 140.974 2.537 0.976 0.699 0.973 0.659 CB 1.787 143 residues pruned to eliminate duplicates Z: 23 56.014 2.594 1.146 0.765 0.909 0.773 CB 1.866 23 residues pruned to eliminate duplicates Z: 181 137.009 2.528 1.047 0.669 0.950 0.650 CB 1.777 181 residues pruned to eliminate duplicates Z: 162 120.905 2.511 1.035 0.675 0.913 0.720 CB 1.738 162 residues pruned to eliminate duplicates Z: 116 104.166 2.516 0.982 0.625 0.974 0.600 CB 1.777 116 residues pruned to eliminate duplicates Z: 182 143.825 2.552 1.019 0.695 0.967 0.718 CB 1.796 182 residues pruned to eliminate duplicates Z: 183 153.329 2.552 1.169 0.686 0.973 0.632 CB 1.780 183 residues pruned to eliminate duplicates Z: 81 85.372 2.520 1.075 0.653 0.938 0.738 CB 1.688 81 residues pruned to eliminate duplicates Z: 55 91.967 2.620 1.196 0.688 1.000 0.630 CB 1.831 55 residues pruned to eliminate duplicates Z: 122 109.529 2.550 0.967 0.658 0.942 0.686 CB 1.820 122 residues pruned to eliminate duplicates Z: 78 87.300 2.567 1.010 0.644 0.948 0.701 CB 1.779 78 residues pruned to eliminate duplicates Z: 118 115.996 2.556 0.984 0.708 0.974 0.718 CB 1.797 118 residues pruned to eliminate duplicates Z: 185 140.330 2.530 0.990 0.694 0.962 0.641 CB 1.789 185 residues pruned to eliminate duplicates Z: 69 82.599 2.542 1.104 0.603 0.956 0.618 CB 1.775 69 residues pruned to eliminate duplicates Z: 161 122.392 2.519 0.934 0.696 0.956 0.637 CB 1.737 161 residues pruned to eliminate duplicates Z: 69 83.821 2.586 1.038 0.623 0.956 0.647 CB 1.797 69 residues pruned to eliminate duplicates Z: 183 148.536 2.542 1.115 0.676 0.973 0.648 CB 1.790 183 residues pruned to eliminate duplicates Z: 77 89.857 2.564 1.073 0.644 0.961 0.684 CB 1.765 77 residues pruned to eliminate duplicates Z: 142 118.532 2.552 1.010 0.697 0.943 0.695 CB 1.723 142 residues pruned to eliminate duplicates Z: 136 115.106 2.530 1.025 0.657 0.941 0.659 CB 1.777 136 residues pruned to eliminate duplicates Z: 182 149.054 2.558 1.194 0.673 0.945 0.602 CB 1.782 182 residues pruned to eliminate duplicates Z: 80 92.683 2.563 1.060 0.667 0.962 0.671 CB 1.759 80 residues pruned to eliminate duplicates Z: 122 111.042 2.536 1.011 0.653 0.959 0.661 CB 1.791 118 residues pruned to eliminate duplicates Z: 11 45.529 2.446 1.161 0.889 1.000 0.900 CB 1.962 11 residues pruned to eliminate duplicates Z: 182 144.744 2.554 1.072 0.688 0.961 0.669 CB 1.780 182 residues pruned to eliminate duplicates Z: 75 94.343 2.583 1.064 0.662 0.973 0.689 CB 1.819 75 residues pruned to eliminate duplicates Z: 158 129.775 2.533 1.019 0.707 0.955 0.682 CB 1.755 158 residues pruned to eliminate duplicates Z: 182 144.314 2.553 1.060 0.679 0.967 0.602 CB 1.789 182 residues pruned to eliminate duplicates Z: 181 140.631 2.539 1.001 0.698 0.978 0.700 CB 1.761 181 residues pruned to eliminate duplicates Z: 182 145.701 2.560 1.066 0.672 0.972 0.613 CB 1.797 123 residues pruned to eliminate duplicates Z: 13 20.618 2.312 0.871 0.528 0.833 0.750 CA 1.605 13 residues pruned to eliminate duplicates Z: 80 85.109 2.545 0.989 0.651 0.937 0.646 CB 1.755 80 residues pruned to eliminate duplicates Z: 78 90.605 2.557 1.060 0.647 0.974 0.727 CB 1.754 78 residues pruned to eliminate duplicates Z: 79 87.912 2.563 0.934 0.652 0.974 0.705 CB 1.790 79 residues pruned to eliminate duplicates Z: 69 86.149 2.588 1.077 0.622 0.971 0.691 CB 1.786 69 residues pruned to eliminate duplicates Z: 182 137.461 2.532 1.034 0.686 0.967 0.602 CB 1.729 182 residues pruned to eliminate duplicates Z: 182 148.171 2.554 1.076 0.686 0.978 0.613 CB 1.791 172 residues pruned to eliminate duplicates Z: 31 57.670 2.456 0.803 0.903 1.000 0.833 CB 1.695 31 residues pruned to eliminate duplicates Z: 89 115.423 2.610 1.106 0.738 0.989 0.716 CB 1.829 89 residues pruned to eliminate duplicates Z: 65 90.662 2.557 0.915 0.807 0.984 0.844 CB 1.799 65 residues pruned to eliminate duplicates Z: 79 93.661 2.561 1.092 0.656 0.974 0.679 CB 1.758 79 residues pruned to eliminate duplicates Z: 120 113.605 2.537 1.010 0.698 0.958 0.765 CB 1.779 120 residues pruned to eliminate duplicates Z: 176 140.953 2.539 1.133 0.662 0.960 0.606 CB 1.764 176 residues pruned to eliminate duplicates Z: 185 138.639 2.534 1.000 0.709 0.951 0.679 CB 1.753 185 residues pruned to eliminate duplicates Z: 182 149.373 2.565 1.095 0.678 0.978 0.657 CB 1.794 182 residues pruned to eliminate duplicates Z: 181 143.467 2.556 1.078 0.678 0.967 0.633 CB 1.768 181 residues pruned to eliminate duplicates Z: 119 106.633 2.509 1.082 0.614 0.941 0.551 CB 1.793 119 residues pruned to eliminate duplicates Z: 147 128.054 2.556 1.033 0.676 0.966 0.705 CB 1.796 147 residues pruned to eliminate duplicates Z: 137 121.290 2.547 1.032 0.706 0.941 0.676 CB 1.771 137 residues pruned to eliminate duplicates Z: 181 149.287 2.562 1.164 0.685 0.950 0.639 CB 1.782 181 residues pruned to eliminate duplicates Z: 184 144.360 2.553 1.062 0.701 0.962 0.628 CB 1.756 184 residues pruned to eliminate duplicates Z: 121 121.247 2.549 1.148 0.693 0.975 0.692 CB 1.737 121 residues pruned to eliminate duplicates Z: 184 140.002 2.546 1.097 0.679 0.934 0.672 CB 1.760 184 residues pruned to eliminate duplicates Z: 182 135.953 2.519 1.089 0.675 0.928 0.646 CB 1.761 182 residues pruned to eliminate duplicates Z: 140 131.788 2.563 1.227 0.698 0.950 0.583 CB 1.721 140 residues pruned to eliminate duplicates Z: 184 152.941 2.567 1.149 0.702 0.962 0.656 CB 1.773 184 residues pruned to eliminate duplicates Z: 184 150.087 2.548 1.206 0.691 0.945 0.590 CB 1.753 184 residues pruned to eliminate duplicates Z: 142 133.327 2.560 1.171 0.691 0.972 0.681 CB 1.745 142 residues pruned to eliminate duplicates Z: 182 131.316 2.542 1.091 0.671 0.901 0.552 CB 1.740 182 residues pruned to eliminate duplicates Z: 144 122.143 2.503 1.189 0.699 0.923 0.601 CB 1.685 144 residues pruned to eliminate duplicates Z: 130 131.819 2.564 1.189 0.744 0.961 0.628 CB 1.730 130 residues pruned to eliminate duplicates Z: 184 146.681 2.556 1.147 0.702 0.940 0.568 CB 1.748 184 residues pruned to eliminate duplicates Z: 144 132.961 2.539 1.246 0.694 0.944 0.636 CB 1.729 144 residues pruned to eliminate duplicates Z: 159 136.961 2.523 1.170 0.694 0.968 0.589 CB 1.722 159 residues pruned to eliminate duplicates Z: 180 134.741 2.523 1.101 0.665 0.939 0.547 CB 1.738 180 residues pruned to eliminate duplicates Z: 171 150.337 2.582 1.130 0.714 0.965 0.659 CB 1.791 171 residues pruned to eliminate duplicates Z: 120 128.065 2.540 1.247 0.708 0.966 0.655 CB 1.762 120 residues pruned to eliminate duplicates Z: 119 117.859 2.519 1.218 0.692 0.949 0.576 CB 1.716 119 residues pruned to eliminate duplicates Z: 183 138.015 2.550 1.085 0.679 0.934 0.621 CB 1.748 183 residues pruned to eliminate duplicates Z: 148 129.494 2.522 1.221 0.680 0.946 0.578 CB 1.709 148 residues pruned to eliminate duplicates Z: 142 132.382 2.556 1.235 0.702 0.950 0.645 CB 1.709 142 residues pruned to eliminate duplicates Z: 105 112.958 2.564 1.194 0.683 0.952 0.567 CB 1.748 105 residues pruned to eliminate duplicates Z: 105 130.203 2.579 1.285 0.746 0.981 0.538 CB 1.773 49 residues pruned to eliminate duplicates Z: 28 63.964 2.519 1.076 0.913 1.000 0.778 CB 1.666 28 residues pruned to eliminate duplicates Z: 230 156.526 2.523 1.103 0.722 0.926 0.581 CB 1.722 217 residues pruned to eliminate duplicates Z: 28 68.270 2.507 1.201 0.922 1.000 0.556 CB 1.674 28 residues pruned to eliminate duplicates Z: 183 143.168 2.557 1.138 0.697 0.934 0.555 CB 1.737 183 residues pruned to eliminate duplicates Z: 182 149.382 2.552 1.175 0.699 0.961 0.564 CB 1.735 182 residues pruned to eliminate duplicates Z: 156 139.790 2.560 1.175 0.702 0.968 0.568 CB 1.733 158 residues pruned to eliminate duplicates Z: 29 66.737 2.447 1.330 0.913 1.000 0.607 CB 1.566 29 residues pruned to eliminate duplicates Z: 127 122.194 2.540 1.215 0.677 0.968 0.556 CB 1.697 127 residues pruned to eliminate duplicates Z: 145 141.171 2.569 1.298 0.696 0.958 0.597 CB 1.739 145 residues pruned to eliminate duplicates Z: 228 154.436 2.511 1.066 0.733 0.938 0.577 CB 1.707 238 residues pruned to eliminate duplicates Z: 7 8.194 1.870 0.244 0.760 1.000 0.833 CB 1.142 7 residues pruned to eliminate duplicates Z: 161 132.131 2.502 1.167 0.701 0.944 0.581 CB 1.700 161 residues pruned to eliminate duplicates Z: 184 139.413 2.508 1.170 0.705 0.929 0.574 CB 1.692 184 residues pruned to eliminate duplicates Z: 143 134.456 2.512 1.248 0.703 0.972 0.577 CB 1.709 143 residues pruned to eliminate duplicates Z: 142 131.012 2.496 1.200 0.694 0.979 0.574 CB 1.719 142 residues pruned to eliminate duplicates Z: 181 147.881 2.519 1.145 0.713 0.967 0.617 CB 1.739 181 residues pruned to eliminate duplicates Z: 179 127.199 2.475 1.093 0.663 0.944 0.545 CB 1.677 167 residues pruned to eliminate duplicates Z: 19 51.307 2.451 1.095 0.929 0.944 0.722 CB 1.746 19 residues pruned to eliminate duplicates Z: 35 41.882 2.334 1.013 0.540 0.912 0.500 CB 1.613 35 residues pruned to eliminate duplicates Z: 230 161.335 2.516 1.083 0.726 0.961 0.620 CB 1.726 228 residues pruned to eliminate duplicates Z: 18 58.189 2.539 1.243 0.904 1.000 0.647 CB 1.764 18 residues pruned to eliminate duplicates Z: 172 146.667 2.536 1.219 0.731 0.942 0.632 CB 1.719 172 residues pruned to eliminate duplicates Z: 141 134.003 2.529 1.204 0.705 0.979 0.636 CB 1.723 141 residues pruned to eliminate duplicates Z: 173 149.951 2.538 1.223 0.725 0.965 0.634 CB 1.715 173 residues pruned to eliminate duplicates Z: 183 148.198 2.525 1.170 0.712 0.962 0.549 CB 1.721 183 residues pruned to eliminate duplicates Z: 184 142.348 2.518 1.157 0.713 0.945 0.623 CB 1.690 184 residues pruned to eliminate duplicates Z: 184 147.370 2.524 1.140 0.714 0.978 0.672 CB 1.698 184 residues pruned to eliminate duplicates Z: 71 73.830 2.505 0.950 0.663 0.929 0.557 CB 1.673 71 residues pruned to eliminate duplicates Z: 171 146.641 2.542 1.210 0.734 0.947 0.576 CB 1.714 171 residues pruned to eliminate duplicates Z: 184 138.534 2.522 1.134 0.705 0.934 0.541 CB 1.690 184 residues pruned to eliminate duplicates Z: 184 134.634 2.504 1.114 0.680 0.934 0.563 CB 1.705 184 residues pruned to eliminate duplicates Z: 230 163.672 2.515 1.158 0.715 0.956 0.603 CB 1.714 230 residues pruned to eliminate duplicates Z: 21 55.647 2.430 1.417 0.754 0.950 0.600 CB 1.778 21 residues pruned to eliminate duplicates Z: 46 46.048 2.414 0.811 0.594 0.889 0.644 CB 1.615 46 residues pruned to eliminate duplicates Z: 46 57.237 2.494 0.960 0.698 0.889 0.600 CB 1.639 46 residues pruned to eliminate duplicates Z: 46 56.422 2.439 0.970 0.679 0.889 0.622 CB 1.671 46 residues pruned to eliminate duplicates Z: 184 145.258 2.505 1.177 0.686 0.956 0.628 CB 1.737 175 residues pruned to eliminate duplicates Z: 28 55.789 2.463 1.029 0.829 0.926 0.704 CB 1.746 28 residues pruned to eliminate duplicates Z: 76 67.854 2.472 0.996 0.624 0.867 0.547 CB 1.631 76 residues pruned to eliminate duplicates Z: 230 162.008 2.514 1.117 0.724 0.956 0.629 CB 1.717 230 residues pruned to eliminate duplicates Z: 184 139.262 2.512 1.140 0.697 0.940 0.574 CB 1.702 184 residues pruned to eliminate duplicates Z: 185 148.033 2.517 1.183 0.701 0.967 0.576 CB 1.710 185 residues pruned to eliminate duplicates Z: 184 146.700 2.521 1.161 0.702 0.962 0.617 CB 1.722 184 residues pruned to eliminate duplicates Z: 165 148.839 2.538 1.245 0.733 0.963 0.591 CB 1.718 165 residues pruned to eliminate duplicates Z: 228 162.184 2.513 1.130 0.705 0.960 0.643 CB 1.737 228 residues pruned to eliminate duplicates Z: 183 146.611 2.527 1.167 0.708 0.956 0.599 CB 1.719 183 residues pruned to eliminate duplicates Z: 181 145.892 2.520 1.171 0.700 0.956 0.628 CB 1.733 181 residues pruned to eliminate duplicates Z: 220 146.618 2.482 1.108 0.699 0.941 0.589 CB 1.679 220 residues pruned to eliminate duplicates Z: 184 146.890 2.530 1.149 0.707 0.956 0.617 CB 1.730 184 residues pruned to eliminate duplicates Z: 183 148.190 2.534 1.162 0.702 0.962 0.555 CB 1.734 183 residues pruned to eliminate duplicates Z: 29 58.751 2.594 1.086 0.680 0.964 0.607 CB 1.804 29 residues pruned to eliminate duplicates Z: 44 66.015 2.516 1.040 0.677 0.930 0.698 CB 1.791 44 residues pruned to eliminate duplicates Z: 184 148.125 2.520 1.196 0.702 0.962 0.563 CB 1.712 184 residues pruned to eliminate duplicates Z: 184 145.384 2.525 1.173 0.702 0.956 0.634 CB 1.705 184 residues pruned to eliminate duplicates Z: 184 145.765 2.516 1.139 0.711 0.956 0.601 CB 1.729 30 residues pruned to eliminate duplicates Z: 26 60.760 2.606 0.872 0.839 1.000 0.840 CB 1.859 26 residues pruned to eliminate duplicates Z: 131 135.184 2.546 1.185 0.747 0.985 0.615 CB 1.736 131 residues pruned to eliminate duplicates Z: 169 146.754 2.537 1.191 0.710 0.964 0.607 CB 1.746 169 residues pruned to eliminate duplicates Z: 184 146.383 2.527 1.125 0.706 0.956 0.656 CB 1.748 185 residues pruned to eliminate duplicates Z: 29 60.241 2.530 0.956 0.790 1.000 0.857 CA 1.784 29 residues pruned to eliminate duplicates Z: 46 60.024 2.468 0.984 0.672 0.933 0.644 CB 1.671 46 residues pruned to eliminate duplicates Z: 185 148.505 2.507 1.209 0.693 0.967 0.554 CB 1.712 185 residues pruned to eliminate duplicates Z: 229 158.365 2.508 1.140 0.706 0.947 0.566 CB 1.711 229 residues pruned to eliminate duplicates Z: 231 163.811 2.506 1.095 0.716 0.970 0.648 CB 1.744 231 residues pruned to eliminate duplicates Z: 45 62.666 2.506 0.935 0.686 0.955 0.636 CB 1.721 45 residues pruned to eliminate duplicates Z: 182 135.695 2.484 1.150 0.667 0.956 0.552 CB 1.693 182 residues pruned to eliminate duplicates Z: 43 55.117 2.428 0.986 0.604 0.929 0.571 CB 1.720 43 residues pruned to eliminate duplicates Z: 228 152.542 2.490 1.099 0.684 0.956 0.586 CB 1.711 228 residues pruned to eliminate duplicates Z: 141 122.567 2.458 1.093 0.690 0.979 0.579 CB 1.728 141 residues pruned to eliminate duplicates Z: 181 132.836 2.524 0.979 0.696 0.944 0.628 CB 1.756 181 residues pruned to eliminate duplicates Z: 16 13.811 2.057 0.652 0.302 0.867 0.467 CA 1.511 16 residues pruned to eliminate duplicates Z: 14 14.188 2.056 0.674 0.356 0.923 0.462 CB 1.447 14 residues pruned to eliminate duplicates Z: 144 123.767 2.513 1.065 0.693 0.965 0.720 CB 1.732 144 residues pruned to eliminate duplicates Z: 142 118.512 2.499 0.990 0.696 0.979 0.688 CB 1.714 142 residues pruned to eliminate duplicates Z: 140 115.259 2.459 0.993 0.703 0.964 0.683 CB 1.720 140 residues pruned to eliminate duplicates Z: 118 101.230 2.475 1.012 0.667 0.949 0.709 CB 1.697 118 residues pruned to eliminate duplicates Z: 83 77.346 2.443 0.968 0.601 0.927 0.610 CB 1.742 83 residues pruned to eliminate duplicates Z: 184 130.252 2.501 0.939 0.697 0.956 0.699 CB 1.735 184 residues pruned to eliminate duplicates Z: 180 123.625 2.459 1.004 0.675 0.950 0.620 CB 1.680 180 residues pruned to eliminate duplicates Z: 29 19.217 2.116 0.622 0.357 0.893 0.464 CB 1.383 29 residues pruned to eliminate duplicates Z: 230 145.708 2.499 0.948 0.706 0.943 0.694 CB 1.739 230 residues pruned to eliminate duplicates Z: 142 119.545 2.503 0.989 0.713 0.965 0.759 CB 1.728 142 residues pruned to eliminate duplicates Z: 142 126.527 2.512 1.084 0.699 0.972 0.709 CB 1.747 142 residues pruned to eliminate duplicates Z: 142 125.299 2.513 1.058 0.699 0.979 0.709 CB 1.739 142 residues pruned to eliminate duplicates Z: 106 114.496 2.553 1.022 0.754 0.971 0.733 CB 1.776 106 residues pruned to eliminate duplicates Z: 171 147.387 2.550 1.123 0.733 0.971 0.641 CB 1.745 171 residues pruned to eliminate duplicates Z: 181 141.350 2.528 1.049 0.693 0.967 0.672 CB 1.765 181 residues pruned to eliminate duplicates Z: 72 76.357 2.515 0.933 0.633 0.958 0.704 CB 1.718 72 residues pruned to eliminate duplicates Z: 182 132.194 2.502 1.018 0.676 0.956 0.680 CB 1.732 182 residues pruned to eliminate duplicates Z: 57 61.828 2.467 0.955 0.585 0.929 0.661 CB 1.700 57 residues pruned to eliminate duplicates Z: 91 104.244 2.554 1.027 0.739 0.989 0.822 CB 1.732 91 residues pruned to eliminate duplicates Z: 161 124.254 2.487 0.992 0.692 0.956 0.706 CB 1.739 118 residues pruned to eliminate duplicates Z: 7 10.467 1.914 0.761 0.471 1.000 0.333 CA 1.305 7 residues pruned to eliminate duplicates Z: 160 126.604 2.498 1.034 0.696 0.937 0.679 CB 1.764 162 residues pruned to eliminate duplicates Z: 6 6.173 1.589 1.019 0.667 0.800 0.800 CA 0.921 6 residues pruned to eliminate duplicates Z: 130 133.069 2.531 1.151 0.741 0.984 0.775 CB 1.761 130 residues pruned to eliminate duplicates Z: 79 77.502 2.504 0.912 0.666 0.936 0.654 CB 1.680 79 residues pruned to eliminate duplicates Z: 119 107.487 2.494 0.957 0.707 0.966 0.720 CB 1.739 119 residues pruned to eliminate duplicates Z: 181 138.365 2.517 1.010 0.705 0.961 0.722 CB 1.760 181 residues pruned to eliminate duplicates Z: 183 132.361 2.495 1.043 0.679 0.945 0.698 CB 1.728 183 residues pruned to eliminate duplicates Z: 180 137.879 2.498 1.002 0.700 0.983 0.721 CB 1.747 180 residues pruned to eliminate duplicates Z: 184 141.412 2.517 1.059 0.708 0.967 0.596 CB 1.726 184 residues pruned to eliminate duplicates Z: 132 122.609 2.539 1.025 0.733 0.969 0.702 CB 1.743 132 residues pruned to eliminate duplicates Z: 119 109.329 2.481 1.040 0.695 0.966 0.746 CB 1.722 119 residues pruned to eliminate duplicates Z: 67 84.112 2.581 0.937 0.726 0.985 0.758 CB 1.716 67 residues pruned to eliminate duplicates Z: 102 102.272 2.515 1.053 0.694 0.950 0.782 CB 1.737 102 residues pruned to eliminate duplicates Z: 143 127.261 2.510 1.132 0.707 0.958 0.690 CB 1.727 143 residues pruned to eliminate duplicates Z: 172 141.344 2.533 1.032 0.736 0.965 0.749 CB 1.761 172 residues pruned to eliminate duplicates Z: 178 133.139 2.505 1.021 0.679 0.960 0.718 CB 1.745 178 residues pruned to eliminate duplicates Z: 142 119.645 2.508 1.031 0.702 0.950 0.674 CB 1.732 142 residues pruned to eliminate duplicates Z: 144 120.219 2.492 1.054 0.697 0.944 0.706 CB 1.739 144 residues pruned to eliminate duplicates Z: 151 133.471 2.543 1.054 0.717 0.967 0.693 CB 1.773 151 residues pruned to eliminate duplicates Z: 142 126.936 2.510 1.068 0.701 0.986 0.688 CB 1.739 142 residues pruned to eliminate duplicates Z: 67 86.031 2.582 1.009 0.724 0.970 0.727 CB 1.720 67 residues pruned to eliminate duplicates Z: 122 113.897 2.514 1.080 0.684 0.975 0.702 CB 1.716 122 residues pruned to eliminate duplicates Z: 187 123.514 2.449 0.966 0.676 0.941 0.629 CB 1.699 187 residues pruned to eliminate duplicates Z: 181 129.696 2.485 1.025 0.665 0.950 0.694 CB 1.735 181 residues pruned to eliminate duplicates Z: 59 84.273 2.595 1.086 0.705 0.983 0.655 CB 1.727 59 residues pruned to eliminate duplicates Z: 120 106.076 2.472 0.959 0.698 0.966 0.697 CB 1.735 120 residues pruned to eliminate duplicates Z: 230 154.271 2.509 1.027 0.714 0.943 0.677 CB 1.750 230 residues pruned to eliminate duplicates Z: 83 83.983 2.515 0.942 0.680 0.963 0.720 CB 1.670 83 residues pruned to eliminate duplicates Z: 179 136.734 2.522 1.000 0.691 0.966 0.663 CB 1.766 179 residues pruned to eliminate duplicates Z: 68 91.940 2.581 1.132 0.726 0.970 0.731 CB 1.716 68 residues pruned to eliminate duplicates Z: 182 146.360 2.510 1.114 0.697 0.967 0.635 CB 1.772 182 residues pruned to eliminate duplicates Z: 182 130.302 2.496 1.041 0.677 0.945 0.674 CB 1.709 182 residues pruned to eliminate duplicates Z: 181 137.961 2.519 1.048 0.686 0.961 0.656 CB 1.749 181 residues pruned to eliminate duplicates Z: 179 136.861 2.493 1.067 0.675 0.978 0.685 CB 1.733 179 residues pruned to eliminate duplicates Z: 181 140.141 2.512 1.089 0.696 0.972 0.656 CB 1.712 181 residues pruned to eliminate duplicates Z: 103 106.293 2.490 1.086 0.695 0.980 0.657 CB 1.730 103 residues pruned to eliminate duplicates Z: 143 118.526 2.485 1.047 0.705 0.958 0.655 CB 1.694 143 residues pruned to eliminate duplicates Z: 119 105.881 2.481 1.053 0.702 0.949 0.686 CB 1.677 119 residues pruned to eliminate duplicates Z: 173 143.571 2.521 1.146 0.731 0.953 0.651 CB 1.724 173 residues pruned to eliminate duplicates Z: 142 121.289 2.505 1.060 0.710 0.950 0.645 CB 1.722 142 residues pruned to eliminate duplicates Z: 151 129.319 2.509 1.110 0.725 0.960 0.667 CB 1.697 151 residues pruned to eliminate duplicates Z: 181 142.831 2.513 1.082 0.703 0.961 0.672 CB 1.761 181 residues pruned to eliminate duplicates Z: 184 141.207 2.527 1.085 0.710 0.945 0.650 CB 1.732 184 residues pruned to eliminate duplicates Z: 141 127.966 2.506 1.166 0.704 0.957 0.600 CB 1.728 141 residues pruned to eliminate duplicates Z: 83 91.444 2.523 1.220 0.670 0.927 0.622 CB 1.663 83 residues pruned to eliminate duplicates Z: 142 128.801 2.507 1.186 0.696 0.957 0.638 CB 1.729 142 residues pruned to eliminate duplicates Z: 146 116.175 2.479 1.137 0.675 0.924 0.586 CB 1.677 146 residues pruned to eliminate duplicates Z: 185 140.227 2.512 1.082 0.705 0.951 0.582 CB 1.725 185 residues pruned to eliminate duplicates Z: 183 135.702 2.518 1.113 0.702 0.923 0.560 CB 1.704 183 residues pruned to eliminate duplicates Z: 171 142.276 2.545 1.118 0.718 0.959 0.653 CB 1.734 171 residues pruned to eliminate duplicates Z: 184 134.686 2.511 1.078 0.699 0.934 0.601 CB 1.702 184 residues pruned to eliminate duplicates Z: 178 134.238 2.501 1.121 0.672 0.927 0.627 CB 1.751 178 residues pruned to eliminate duplicates Z: 183 144.261 2.521 1.136 0.712 0.951 0.544 CB 1.724 183 residues pruned to eliminate duplicates Z: 180 140.631 2.521 1.129 0.685 0.961 0.654 CB 1.720 180 residues pruned to eliminate duplicates Z: 46 80.351 2.458 1.264 0.736 0.956 0.689 CB 1.823 46 residues pruned to eliminate duplicates Z: 120 101.002 2.456 1.049 0.656 0.924 0.664 CB 1.722 120 residues pruned to eliminate duplicates Z: 119 117.914 2.483 1.203 0.708 0.966 0.644 CB 1.701 119 residues pruned to eliminate duplicates Z: 171 150.575 2.552 1.190 0.737 0.971 0.612 CB 1.720 171 residues pruned to eliminate duplicates Z: 143 123.172 2.487 1.165 0.692 0.951 0.620 CB 1.695 143 residues pruned to eliminate duplicates Z: 230 164.446 2.507 1.123 0.721 0.965 0.655 CB 1.733 230 residues pruned to eliminate duplicates Z: 184 141.281 2.516 1.104 0.698 0.956 0.607 CB 1.723 184 residues pruned to eliminate duplicates Z: 181 139.823 2.515 1.035 0.705 0.967 0.639 CB 1.748 181 residues pruned to eliminate duplicates Z: 182 143.477 2.514 1.128 0.701 0.967 0.619 CB 1.716 182 residues pruned to eliminate duplicates Z: 38 74.821 2.485 1.323 0.826 0.946 0.703 CB 1.699 38 residues pruned to eliminate duplicates Z: 142 127.572 2.498 1.196 0.689 0.957 0.652 CB 1.721 142 residues pruned to eliminate duplicates Z: 144 125.115 2.516 1.112 0.690 0.951 0.629 CB 1.740 144 residues pruned to eliminate duplicates Z: 182 139.902 2.510 1.129 0.681 0.950 0.641 CB 1.734 182 residues pruned to eliminate duplicates Z: 184 142.037 2.518 1.128 0.701 0.945 0.607 CB 1.727 184 residues pruned to eliminate duplicates Z: 184 145.466 2.522 1.162 0.702 0.956 0.617 CB 1.715 184 residues pruned to eliminate duplicates Z: 115 120.131 2.486 1.237 0.721 0.974 0.632 CB 1.703 115 residues pruned to eliminate duplicates Z: 119 117.745 2.476 1.231 0.705 0.966 0.576 CB 1.685 119 residues pruned to eliminate duplicates Z: 141 124.901 2.522 1.201 0.687 0.943 0.636 CB 1.699 141 residues pruned to eliminate duplicates Z: 181 141.113 2.507 1.118 0.708 0.961 0.644 CB 1.706 181 residues pruned to eliminate duplicates Z: 158 131.292 2.491 1.154 0.718 0.962 0.611 CB 1.667 158 residues pruned to eliminate duplicates Z: 173 145.849 2.546 1.175 0.730 0.953 0.576 CB 1.712 173 residues pruned to eliminate duplicates Z: 180 146.420 2.526 1.200 0.695 0.961 0.592 CB 1.715 180 residues pruned to eliminate duplicates Z: 184 141.387 2.508 1.146 0.700 0.940 0.525 CB 1.723 184 residues pruned to eliminate duplicates Z: 106 126.242 2.547 1.261 0.757 0.971 0.686 CB 1.751 106 residues pruned to eliminate duplicates Z: 47 74.659 2.416 1.154 0.741 0.935 0.717 CB 1.824 47 residues pruned to eliminate duplicates Z: 184 141.314 2.513 1.116 0.708 0.962 0.601 CB 1.691 184 residues pruned to eliminate duplicates Z: 184 131.197 2.494 1.135 0.701 0.923 0.536 CB 1.643 184 residues pruned to eliminate duplicates Z: 144 126.935 2.489 1.205 0.698 0.958 0.559 CB 1.685 144 residues pruned to eliminate duplicates Z: 108 117.339 2.506 1.178 0.750 0.972 0.617 CB 1.710 108 residues pruned to eliminate duplicates Z: 144 129.242 2.492 1.226 0.692 0.965 0.594 CB 1.693 144 residues pruned to eliminate duplicates Z: 107 121.587 2.532 1.233 0.753 0.972 0.660 CB 1.716 107 residues pruned to eliminate duplicates Z: 160 126.766 2.495 1.145 0.694 0.931 0.547 CB 1.690 160 residues pruned to eliminate duplicates Z: 230 150.094 2.494 1.067 0.719 0.926 0.576 CB 1.706 230 residues pruned to eliminate duplicates Z: 147 131.802 2.534 1.095 0.736 0.973 0.582 CB 1.709 147 residues pruned to eliminate duplicates Z: 182 142.802 2.517 1.121 0.696 0.961 0.635 CB 1.730 184 residues pruned to eliminate duplicates Z: 26 61.774 2.463 1.009 0.945 0.920 0.560 CB 1.877 26 residues pruned to eliminate duplicates Z: 180 145.765 2.528 1.187 0.701 0.950 0.659 CB 1.728 180 residues pruned to eliminate duplicates Z: 230 165.782 2.520 1.107 0.720 0.974 0.655 CB 1.737 230 residues pruned to eliminate duplicates Z: 219 164.973 2.523 1.173 0.727 0.963 0.587 CB 1.724 219 residues pruned to eliminate duplicates Z: 228 159.297 2.513 1.072 0.718 0.965 0.630 CB 1.728 228 residues pruned to eliminate duplicates Z: 65 78.151 2.492 1.068 0.681 0.922 0.672 CB 1.740 65 residues pruned to eliminate duplicates Z: 229 169.018 2.523 1.138 0.721 0.974 0.610 CB 1.745 229 residues pruned to eliminate duplicates Z: 47 72.612 2.479 0.972 0.774 0.957 0.630 CB 1.798 47 residues pruned to eliminate duplicates Z: 48 70.933 2.425 0.978 0.762 0.957 0.702 CB 1.785 48 residues pruned to eliminate duplicates Z: 20 38.737 2.327 0.796 0.782 1.000 0.684 CA 1.658 20 residues pruned to eliminate duplicates Z: 92 94.956 2.491 1.012 0.710 0.945 0.648 CB 1.737 92 residues pruned to eliminate duplicates Z: 21 40.750 2.181 1.146 0.801 1.000 0.700 CB 1.498 21 residues pruned to eliminate duplicates Z: 230 168.707 2.512 1.190 0.710 0.965 0.568 CB 1.736 230 residues pruned to eliminate duplicates Z: 20 40.082 2.293 0.967 0.786 1.000 0.579 CB 1.586 20 residues pruned to eliminate duplicates Z: 47 76.763 2.468 1.074 0.767 0.978 0.630 CB 1.783 47 residues pruned to eliminate duplicates Z: 218 161.302 2.520 1.134 0.717 0.972 0.654 CB 1.720 218 residues pruned to eliminate duplicates Z: 231 162.107 2.514 1.106 0.710 0.970 0.617 CB 1.720 231 residues pruned to eliminate duplicates Z: 230 166.861 2.510 1.150 0.709 0.974 0.642 CB 1.735 230 residues pruned to eliminate duplicates Z: 230 169.626 2.525 1.170 0.711 0.965 0.611 CB 1.751 230 residues pruned to eliminate duplicates Z: 218 176.257 2.540 1.237 0.737 0.977 0.664 CB 1.744 218 residues pruned to eliminate duplicates Z: 19 40.756 2.240 1.126 0.865 0.944 0.500 CB 1.565 19 residues pruned to eliminate duplicates Z: 230 170.932 2.523 1.133 0.717 0.987 0.655 CB 1.748 230 residues pruned to eliminate duplicates Z: 45 76.315 2.443 1.007 0.830 0.977 0.773 CB 1.804 45 residues pruned to eliminate duplicates Z: 230 172.227 2.515 1.191 0.722 0.965 0.611 CB 1.751 230 residues pruned to eliminate duplicates Z: 230 165.090 2.518 1.148 0.709 0.961 0.642 CB 1.736 230 residues pruned to eliminate duplicates Z: 120 112.149 2.511 1.020 0.682 0.975 0.655 CB 1.758 120 residues pruned to eliminate duplicates Z: 120 113.874 2.505 1.043 0.691 0.958 0.597 CB 1.788 120 residues pruned to eliminate duplicates Z: 230 167.132 2.514 1.146 0.704 0.974 0.576 CB 1.746 230 residues pruned to eliminate duplicates Z: 232 162.728 2.498 1.145 0.701 0.974 0.606 CB 1.709 232 residues pruned to eliminate duplicates Z: 47 81.136 2.498 1.166 0.791 0.957 0.674 CB 1.791 47 residues pruned to eliminate duplicates Z: 48 80.172 2.479 1.220 0.762 0.979 0.702 CB 1.721 48 residues pruned to eliminate duplicates Z: 24 77.175 2.583 1.255 0.927 1.000 0.696 CB 1.936 24 residues pruned to eliminate duplicates Z: 46 85.064 2.511 1.230 0.800 0.956 0.644 CB 1.823 46 residues pruned to eliminate duplicates Z: 91 99.324 2.488 1.028 0.721 0.967 0.622 CB 1.759 91 residues pruned to eliminate duplicates Z: 230 165.894 2.515 1.146 0.715 0.965 0.576 CB 1.731 230 residues pruned to eliminate duplicates Z: 47 87.956 2.508 1.303 0.794 0.978 0.609 CB 1.774 47 residues pruned to eliminate duplicates Z: 26 83.714 2.511 1.417 0.912 1.000 0.680 CB 1.954 26 residues pruned to eliminate duplicates Z: 48 80.632 2.442 1.358 0.771 0.936 0.617 CB 1.716 48 residues pruned to eliminate duplicates Z: 25 84.546 2.573 1.463 0.951 0.958 0.542 CB 1.959 27 residues pruned to eliminate duplicates Z: 19 64.400 2.549 1.459 0.868 0.889 0.833 CB 1.992 19 residues pruned to eliminate duplicates Z: 218 177.612 2.536 1.255 0.737 0.977 0.590 CB 1.745 218 residues pruned to eliminate duplicates Z: 215 165.625 2.515 1.195 0.716 0.977 0.584 CB 1.727 88 residues pruned to eliminate duplicates Z: 17 55.793 2.533 1.241 0.886 0.938 0.812 CB 1.892 17 residues pruned to eliminate duplicates Z: 230 171.211 2.515 1.189 0.715 0.978 0.638 CB 1.729 230 residues pruned to eliminate duplicates Z: 230 177.171 2.521 1.235 0.717 0.983 0.620 CB 1.739 228 residues pruned to eliminate duplicates Z: 26 74.130 2.536 1.397 0.902 0.920 0.560 CB 1.890 26 residues pruned to eliminate duplicates Z: 46 89.189 2.506 1.258 0.808 1.000 0.556 CB 1.796 46 residues pruned to eliminate duplicates Z: 47 80.125 2.480 1.198 0.789 0.957 0.522 CB 1.757 47 residues pruned to eliminate duplicates 415 residues left after pruning, divided into chains as follows: A: 7 B: 180 C: 180 D: 48 CC for partial structure against native data = 41.56 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 2 used as input for final density modification = 0.300, Contrast = 0.797, Connect. = 0.758 for dens.mod. cycle 1 = 0.300, Contrast = 0.926, Connect. = 0.792 for dens.mod. cycle 2 = 0.300, Contrast = 1.125, Connect. = 0.819 for dens.mod. cycle 3 = 0.300, Contrast = 1.175, Connect. = 0.823 for dens.mod. cycle 4 = 0.300, Contrast = 1.217, Connect. = 0.826 for dens.mod. cycle 5 = 0.300, Contrast = 1.240, Connect. = 0.828 for dens.mod. cycle 6 = 0.300, Contrast = 1.259, Connect. = 0.830 for dens.mod. cycle 7 = 0.300, Contrast = 1.269, Connect. = 0.832 for dens.mod. cycle 8 = 0.300, Contrast = 1.278, Connect. = 0.833 for dens.mod. cycle 9 = 0.300, Contrast = 1.283, Connect. = 0.833 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 4.22 - 3.32 - 2.89 - 2.62 - 2.43 - 2.28 - 2.17 - 2.07 - 1.98 - 1.89 0.802 0.831 0.803 0.798 0.808 0.798 0.781 0.751 0.707 0.681 0.923 0.950 0.915 0.905 0.910 0.910 0.895 0.869 0.834 0.809 N 7505 7564 7542 7530 7452 7771 7122 7703 7238 7277 Estimated mean FOM = 0.776 Pseudo-free CC = 79.52 % Best trace (cycle 2 with CC 45.21%) was saved as ./2a2m-1.9-parrot-noncs/2a2m-1.9-parrot-noncs.pdb ============================================================================== CPU times required in seconds TimeTaking 394.52