++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 21:14:16 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: ./1vmf-1.7-parrot-mrncs/1vmf-1.7-parrot-mrncs.phi -a -n -t20 Cell and symmetry only from ./1vmf-1.7-parrot-mrncs/1vmf-1.7-parrot-mrncs.ins Phases from ./1vmf-1.7-parrot-mrncs/1vmf-1.7-parrot-mrncs.phi Native data from ./1vmf-1.7-parrot-mrncs/1vmf-1.7-parrot-mrncs.hkl Listing output to ./1vmf-1.7-parrot-mrncs/1vmf-1.7-parrot-mrncs.lst Phases output to ./1vmf-1.7-parrot-mrncs/1vmf-1.7-parrot-mrncs.phs Poly-Ala trace output to ./1vmf-1.7-parrot-mrncs/1vmf-1.7-parrot-mrncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 21 21 21 Allowed origin shift code: 4 48424 Reflections read from file ./1vmf-1.7-parrot-mrncs/1vmf-1.7-parrot-mrncs.phi 48424 Reflections read from file ./1vmf-1.7-parrot-mrncs/1vmf-1.7-parrot-mrncs.hkl 48424 Unique data, highest resolution = 1.730 Angstroms Anisotropic scaling: intensities multiplied by -0.000039h^2 +0.000084k^2 +0.000001l^2 +0.000000kl +0.000000hl +0.000000hk 20 Reflections with d > 1.930 and 0 in range 1.930 > d > 1.730 added Density sharpening factor set to 1.16 Fourier grid = 128 x 128 x 60 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.672 = 0.300, Contrast = 0.469, Connect. = 0.754 for dens.mod. cycle 1 = 0.300, Contrast = 0.549, Connect. = 0.768 for dens.mod. cycle 2 = 0.300, Contrast = 0.642, Connect. = 0.786 for dens.mod. cycle 3 = 0.300, Contrast = 0.663, Connect. = 0.791 for dens.mod. cycle 4 = 0.300, Contrast = 0.674, Connect. = 0.794 for dens.mod. cycle 5 = 0.300, Contrast = 0.680, Connect. = 0.796 for dens.mod. cycle 6 = 0.300, Contrast = 0.684, Connect. = 0.797 for dens.mod. cycle 7 = 0.300, Contrast = 0.688, Connect. = 0.798 for dens.mod. cycle 8 = 0.300, Contrast = 0.690, Connect. = 0.799 for dens.mod. cycle 9 = 0.300, Contrast = 0.692, Connect. = 0.799 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2128 peaks > 0.5 sigma used to seed fragment search Space for about 500 unique residues taking solvent into account 508 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 13 28.468 2.165 0.852 0.922 1.000 0.917 CA 1.441 B: 11 34.453 2.405 0.870 0.932 1.000 0.900 CB 1.692 12 residues pruned to eliminate duplicates C: 11 36.748 2.404 1.085 0.917 1.000 1.000 CB 1.636 12 residues pruned to eliminate duplicates D: 13 26.632 2.029 0.797 0.862 1.000 0.833 CA 1.548 E: 14 38.699 2.199 1.066 0.888 1.000 0.923 CA 1.702 13 residues pruned to eliminate duplicates F: 11 35.278 2.374 1.028 0.932 1.000 0.900 CB 1.618 11 residues pruned to eliminate duplicates G: 13 23.454 2.092 0.564 0.873 1.000 0.833 CA 1.507 13 residues pruned to eliminate duplicates H: 12 32.053 2.184 0.939 0.883 1.000 0.909 CB 1.650 I: 13 32.407 2.222 1.214 0.849 0.917 0.917 CA 1.538 13 residues pruned to eliminate duplicates J: 13 36.494 2.285 1.145 0.871 0.917 0.833 CA 1.710 13 residues pruned to eliminate duplicates K: 13 40.366 2.326 1.046 0.872 1.000 0.917 CA 1.785 14 residues pruned to eliminate duplicates L: 14 41.692 2.193 1.188 0.893 1.000 0.846 CA 1.730 14 residues pruned to eliminate duplicates M: 12 31.559 2.303 0.798 0.922 1.000 1.000 CB 1.615 12 residues pruned to eliminate duplicates N: 17 34.112 2.128 1.003 0.896 1.000 0.750 CB 1.434 O: 14 25.937 2.056 0.847 0.785 0.923 0.769 CB 1.597 14 residues pruned to eliminate duplicates P: 13 29.145 2.201 0.904 0.908 0.917 0.833 CA 1.555 13 residues pruned to eliminate duplicates Q: 13 30.764 2.242 0.910 0.825 1.000 0.917 CB 1.566 14 residues pruned to eliminate duplicates R: 16 33.172 2.103 0.832 0.918 1.000 0.600 CB 1.568 16 residues pruned to eliminate duplicates S: 37 43.111 2.194 1.128 0.557 0.944 0.806 CB 1.542 T: 11 35.540 2.373 1.020 0.920 1.000 0.900 CA 1.651 11 residues pruned to eliminate duplicates U: 16 32.573 2.227 0.752 0.939 1.000 0.933 CB 1.498 16 residues pruned to eliminate duplicates V: 14 24.065 2.022 0.923 0.667 1.000 0.769 CB 1.470 W: 13 34.144 2.109 1.399 0.874 0.917 0.917 CB 1.547 13 residues pruned to eliminate duplicates X: 18 28.748 2.048 0.799 0.910 0.941 0.824 CB 1.425 Y: 15 31.183 2.056 1.156 0.827 0.929 0.714 CB 1.526 20 residues pruned to eliminate duplicates Z: 15 30.908 2.123 0.898 0.923 1.000 0.857 CB 1.440 Z: 94 68.364 2.242 1.047 0.551 0.957 0.656 CB 1.536 61 residues pruned to eliminate duplicates Z: 16 30.528 2.263 0.729 0.908 0.933 0.867 CB 1.533 16 residues pruned to eliminate duplicates Z: 14 32.007 2.082 0.905 0.922 1.000 0.615 CB 1.575 14 residues pruned to eliminate duplicates Z: 15 30.494 1.980 1.001 0.840 1.000 0.714 CB 1.535 15 residues pruned to eliminate duplicates Z: 48 48.891 2.190 1.057 0.525 0.979 0.745 CB 1.578 48 residues pruned to eliminate duplicates Z: 64 48.673 2.215 0.974 0.490 0.952 0.651 CB 1.487 28 residues pruned to eliminate duplicates Z: 13 34.959 2.210 1.367 0.873 0.917 0.917 CA 1.533 13 residues pruned to eliminate duplicates Z: 62 47.073 2.206 0.959 0.556 0.885 0.672 CB 1.491 29 residues pruned to eliminate duplicates Z: 15 34.375 2.149 0.961 0.935 1.000 1.000 CB 1.519 15 residues pruned to eliminate duplicates Z: 15 33.036 2.161 0.965 0.888 1.000 0.786 CB 1.498 15 residues pruned to eliminate duplicates Z: 15 30.010 2.148 0.741 0.935 1.000 0.786 CB 1.495 15 residues pruned to eliminate duplicates Z: 47 47.812 2.223 1.022 0.549 0.957 0.696 CB 1.562 47 residues pruned to eliminate duplicates Z: 13 27.930 2.274 0.971 0.846 0.917 0.917 CB 1.458 13 residues pruned to eliminate duplicates Z: 88 61.773 2.193 1.167 0.530 0.931 0.678 CB 1.454 60 residues pruned to eliminate duplicates Z: 13 19.174 1.883 0.620 0.883 1.000 0.917 CB 1.311 Z: 12 34.581 2.387 0.985 0.843 1.000 0.818 CB 1.638 12 residues pruned to eliminate duplicates Z: 30 34.173 2.056 0.772 0.660 0.966 0.759 CB 1.555 13 residues pruned to eliminate duplicates Z: 11 34.449 2.389 0.966 0.865 1.000 0.800 CB 1.699 11 residues pruned to eliminate duplicates Z: 46 36.373 2.069 0.927 0.530 0.956 0.556 CB 1.382 17 residues pruned to eliminate duplicates Z: 16 33.302 2.232 0.837 0.908 0.933 0.800 CA 1.595 16 residues pruned to eliminate duplicates Z: 94 59.616 2.137 0.993 0.550 0.914 0.656 CB 1.512 92 residues pruned to eliminate duplicates Z: 65 46.339 2.137 0.988 0.504 0.922 0.609 CB 1.473 65 residues pruned to eliminate duplicates Z: 15 36.006 2.298 0.814 0.942 1.000 1.000 CB 1.601 15 residues pruned to eliminate duplicates Z: 14 31.401 2.190 1.002 0.836 0.923 0.846 CB 1.610 14 residues pruned to eliminate duplicates Z: 15 31.874 1.981 1.072 0.866 1.000 0.929 CB 1.520 15 residues pruned to eliminate duplicates Z: 25 25.044 2.074 1.285 0.455 0.833 0.708 CB 1.356 25 residues pruned to eliminate duplicates Z: 16 27.382 2.108 0.773 0.919 0.933 0.733 CB 1.429 16 residues pruned to eliminate duplicates Z: 9 21.003 2.030 1.143 0.724 0.875 0.875 CB 1.595 9 residues pruned to eliminate duplicates Z: 53 37.782 2.069 0.950 0.498 0.923 0.712 CB 1.410 53 residues pruned to eliminate duplicates Z: 48 37.346 1.995 1.061 0.562 0.915 0.681 CB 1.365 48 residues pruned to eliminate duplicates Z: 15 29.327 2.280 0.572 0.936 1.000 1.000 CB 1.523 15 residues pruned to eliminate duplicates Z: 41 38.773 2.061 1.176 0.583 0.950 0.650 CB 1.329 41 residues pruned to eliminate duplicates Z: 11 29.215 2.311 0.823 0.896 1.000 0.900 CB 1.571 11 residues pruned to eliminate duplicates Z: 48 41.411 2.245 0.836 0.535 0.936 0.638 CB 1.512 48 residues pruned to eliminate duplicates Z: 17 28.713 2.170 0.605 0.917 0.938 0.938 CB 1.552 17 residues pruned to eliminate duplicates Z: 16 37.851 2.221 0.942 0.930 1.000 0.933 CB 1.584 16 residues pruned to eliminate duplicates Z: 25 24.543 2.156 1.047 0.396 0.917 0.583 CB 1.382 25 residues pruned to eliminate duplicates Z: 35 43.745 2.170 1.003 0.636 0.971 0.794 CB 1.565 34 residues pruned to eliminate duplicates Z: 14 30.515 2.274 0.698 0.939 1.000 0.923 CB 1.523 14 residues pruned to eliminate duplicates Z: 24 22.983 2.105 1.063 0.475 0.870 0.696 CB 1.301 Z: 61 45.437 2.180 0.852 0.567 0.933 0.633 CB 1.459 61 residues pruned to eliminate duplicates Z: 16 28.554 2.109 0.679 0.929 1.000 0.933 CB 1.457 16 residues pruned to eliminate duplicates Z: 15 31.214 2.037 1.238 0.838 0.929 0.786 CB 1.473 15 residues pruned to eliminate duplicates Z: 16 37.374 2.235 0.899 0.934 1.000 0.933 CB 1.586 16 residues pruned to eliminate duplicates Z: 17 27.266 2.160 0.771 0.857 0.938 0.500 CB 1.400 17 residues pruned to eliminate duplicates Z: 15 32.561 2.152 1.409 0.787 0.929 0.643 CB 1.405 15 residues pruned to eliminate duplicates Z: 17 38.745 2.166 0.993 0.910 1.000 0.750 CB 1.592 17 residues pruned to eliminate duplicates Z: 15 16.568 1.856 0.862 0.505 1.000 0.857 CB 1.275 15 residues pruned to eliminate duplicates Z: 15 27.533 2.024 0.911 0.862 1.000 0.714 CB 1.397 15 residues pruned to eliminate duplicates Z: 16 38.800 2.200 0.968 0.950 1.000 0.933 CA 1.596 16 residues pruned to eliminate duplicates Z: 59 44.276 2.150 1.022 0.528 0.897 0.483 CB 1.451 59 residues pruned to eliminate duplicates Z: 26 25.277 2.027 1.083 0.551 0.880 0.680 CB 1.295 26 residues pruned to eliminate duplicates Z: 16 35.793 2.233 0.847 0.947 1.000 0.933 CB 1.549 16 residues pruned to eliminate duplicates Z: 57 38.702 2.063 0.833 0.503 0.946 0.696 CB 1.441 57 residues pruned to eliminate duplicates Z: 11 39.267 2.415 1.229 0.929 1.000 0.800 CB 1.614 11 residues pruned to eliminate duplicates Z: 9 17.648 2.159 0.995 0.652 1.000 0.875 CB 1.257 Z: 94 58.575 2.158 0.890 0.558 0.946 0.688 CB 1.488 94 residues pruned to eliminate duplicates Z: 37 41.044 2.134 1.073 0.531 0.972 0.639 CB 1.542 37 residues pruned to eliminate duplicates Z: 24 22.454 2.103 1.106 0.426 0.870 0.609 CB 1.312 24 residues pruned to eliminate duplicates Z: 23 23.765 2.163 0.869 0.462 1.000 0.682 CB 1.303 23 residues pruned to eliminate duplicates Z: 13 29.660 2.234 1.003 0.806 0.917 0.750 CB 1.599 13 residues pruned to eliminate duplicates Z: 64 53.625 2.155 1.099 0.521 0.952 0.714 CB 1.536 64 residues pruned to eliminate duplicates Z: 13 29.166 2.060 0.887 0.885 1.000 1.000 CA 1.564 13 residues pruned to eliminate duplicates Z: 55 37.919 2.092 0.852 0.520 0.907 0.648 CB 1.439 55 residues pruned to eliminate duplicates Z: 62 45.590 2.179 0.889 0.524 0.934 0.574 CB 1.481 62 residues pruned to eliminate duplicates Z: 9 22.107 2.124 1.214 0.758 0.875 0.875 CB 1.510 9 residues pruned to eliminate duplicates Z: 15 34.470 2.267 0.819 0.920 1.000 0.857 CB 1.573 15 residues pruned to eliminate duplicates Z: 17 26.876 2.101 0.519 0.937 1.000 0.938 CB 1.465 17 residues pruned to eliminate duplicates Z: 15 19.572 1.966 0.922 0.615 0.929 0.786 CB 1.337 15 residues pruned to eliminate duplicates Z: 30 24.620 2.012 1.151 0.445 0.897 0.655 CB 1.246 Z: 8 7.049 1.880 1.139 0.306 0.714 0.286 CA 1.152 8 residues pruned to eliminate duplicates Z: 18 17.508 2.099 1.024 0.316 0.882 0.647 CB 1.388 18 residues pruned to eliminate duplicates Z: 44 39.084 2.132 0.974 0.552 0.953 0.651 CB 1.412 45 residues pruned to eliminate duplicates Z: 17 30.161 2.183 0.804 0.894 0.875 0.812 CB 1.569 17 residues pruned to eliminate duplicates Z: 74 48.098 2.114 0.984 0.484 0.932 0.534 CB 1.465 77 residues pruned to eliminate duplicates Z: 34 29.648 2.022 0.945 0.601 0.970 0.697 CB 1.229 34 residues pruned to eliminate duplicates Z: 35 40.623 2.183 1.011 0.599 0.941 0.706 CB 1.534 35 residues pruned to eliminate duplicates Z: 94 58.153 2.157 0.935 0.552 0.957 0.656 CB 1.435 94 residues pruned to eliminate duplicates Z: 15 18.944 1.945 0.903 0.509 0.929 0.571 CB 1.460 15 residues pruned to eliminate duplicates Z: 51 42.427 2.104 0.977 0.569 0.960 0.740 CB 1.406 50 residues pruned to eliminate duplicates Z: 15 29.658 2.276 0.499 0.948 1.000 1.000 CB 1.605 15 residues pruned to eliminate duplicates Z: 95 67.910 2.232 1.066 0.553 0.947 0.670 CB 1.524 95 residues pruned to eliminate duplicates Z: 19 19.098 2.058 0.933 0.485 0.944 0.556 CB 1.216 19 residues pruned to eliminate duplicates Z: 12 16.046 1.978 1.228 0.517 0.818 0.818 CB 1.319 12 residues pruned to eliminate duplicates Z: 15 27.620 2.272 0.455 0.935 1.000 1.000 CB 1.556 15 residues pruned to eliminate duplicates Z: 94 61.209 2.152 0.926 0.554 0.968 0.656 CB 1.502 94 residues pruned to eliminate duplicates Z: 9 18.065 2.066 1.218 0.637 0.750 0.750 CB 1.634 9 residues pruned to eliminate duplicates Z: 17 24.610 2.113 0.342 0.914 1.000 0.812 CB 1.535 17 residues pruned to eliminate duplicates Z: 13 40.984 2.269 1.401 0.868 1.000 0.667 CB 1.587 13 residues pruned to eliminate duplicates Z: 50 39.175 2.070 0.942 0.532 0.939 0.714 CB 1.437 50 residues pruned to eliminate duplicates Z: 36 42.695 2.205 1.010 0.568 0.971 0.771 CB 1.569 37 residues pruned to eliminate duplicates Z: 28 19.398 2.100 0.732 0.405 0.926 0.556 CB 1.225 28 residues pruned to eliminate duplicates Z: 12 16.926 1.842 0.935 0.674 0.909 0.727 CA 1.341 12 residues pruned to eliminate duplicates Z: 15 11.087 1.886 0.962 0.375 0.857 0.571 CB 1.068 15 residues pruned to eliminate duplicates Z: 19 23.285 2.250 0.758 0.451 0.944 0.667 CB 1.546 19 residues pruned to eliminate duplicates Z: 14 31.720 2.202 1.056 0.816 0.923 0.692 CB 1.600 14 residues pruned to eliminate duplicates Z: 12 16.109 1.994 1.325 0.548 0.909 0.545 CB 1.100 12 residues pruned to eliminate duplicates Z: 15 35.455 2.306 0.810 0.949 1.000 0.857 CB 1.567 15 residues pruned to eliminate duplicates Z: 15 29.179 2.285 0.562 0.929 1.000 1.000 CB 1.530 15 residues pruned to eliminate duplicates Z: 47 38.385 2.104 1.045 0.513 0.913 0.457 CB 1.422 47 residues pruned to eliminate duplicates Z: 17 26.910 2.258 0.700 0.806 0.938 0.750 CB 1.431 17 residues pruned to eliminate duplicates Z: 14 34.997 2.198 1.145 0.860 0.923 0.846 CA 1.640 14 residues pruned to eliminate duplicates Z: 15 33.955 2.266 0.868 0.937 1.000 0.929 CB 1.493 15 residues pruned to eliminate duplicates Z: 47 39.136 2.086 1.011 0.539 0.957 0.674 CB 1.384 47 residues pruned to eliminate duplicates Z: 14 27.159 2.266 0.506 0.946 1.000 0.846 CB 1.526 14 residues pruned to eliminate duplicates Z: 12 28.401 2.315 0.861 0.852 0.909 0.909 CA 1.617 12 residues pruned to eliminate duplicates Z: 16 32.640 2.170 0.748 0.913 1.000 0.933 CB 1.572 16 residues pruned to eliminate duplicates Z: 15 35.074 2.298 0.792 0.949 1.000 0.929 CB 1.571 15 residues pruned to eliminate duplicates Z: 48 46.168 2.197 1.155 0.507 0.936 0.660 CB 1.508 48 residues pruned to eliminate duplicates Z: 16 27.118 2.068 0.708 0.930 1.000 1.000 CB 1.386 16 residues pruned to eliminate duplicates Z: 16 27.780 2.221 0.755 0.901 0.933 0.867 CB 1.407 16 residues pruned to eliminate duplicates Z: 14 19.123 2.051 0.568 0.578 1.000 0.769 CB 1.529 14 residues pruned to eliminate duplicates Z: 18 37.119 2.212 0.999 0.829 1.000 0.765 CA 1.532 18 residues pruned to eliminate duplicates Z: 15 31.516 2.051 1.219 0.852 0.929 0.714 CB 1.475 15 residues pruned to eliminate duplicates Z: 15 16.755 1.967 0.933 0.613 0.929 0.714 CB 1.140 15 residues pruned to eliminate duplicates Z: 13 14.791 2.067 0.773 0.559 0.833 0.667 CB 1.320 13 residues pruned to eliminate duplicates Z: 6 4.036 1.545 0.276 0.682 0.800 0.400 CA 0.968 6 residues pruned to eliminate duplicates Z: 92 60.588 2.137 1.021 0.594 0.934 0.714 CB 1.439 92 residues pruned to eliminate duplicates Z: 14 19.892 1.792 0.852 0.871 1.000 0.923 CB 1.213 14 residues pruned to eliminate duplicates Z: 17 29.827 2.144 0.769 0.890 0.938 0.812 CB 1.508 17 residues pruned to eliminate duplicates Z: 52 45.839 2.189 1.041 0.507 0.941 0.725 CB 1.516 52 residues pruned to eliminate duplicates Z: 48 46.718 2.221 0.977 0.553 0.936 0.745 CB 1.575 48 residues pruned to eliminate duplicates Z: 19 17.467 2.025 1.206 0.420 0.889 0.500 CB 1.127 18 residues pruned to eliminate duplicates Z: 15 10.713 1.845 0.513 0.539 0.857 0.857 CB 1.152 Z: 10 17.071 2.015 1.017 0.684 0.889 0.778 CB 1.330 15 residues pruned to eliminate duplicates Z: 48 49.572 2.167 1.203 0.556 0.936 0.745 CB 1.533 47 residues pruned to eliminate duplicates Z: 54 38.248 2.078 0.879 0.510 0.925 0.642 CB 1.441 54 residues pruned to eliminate duplicates Z: 6 3.335 1.628 0.066 0.695 0.800 0.400 CA 0.899 6 residues pruned to eliminate duplicates Z: 16 32.313 2.218 0.901 0.908 0.933 0.733 CB 1.506 16 residues pruned to eliminate duplicates Z: 13 17.663 2.149 0.938 0.398 0.833 0.667 CB 1.636 13 residues pruned to eliminate duplicates Z: 29 20.428 1.968 0.948 0.440 0.857 0.679 CB 1.250 29 residues pruned to eliminate duplicates Z: 29 18.645 1.983 0.941 0.382 0.893 0.571 CB 1.162 31 residues pruned to eliminate duplicates Z: 81 59.265 2.225 0.971 0.528 0.963 0.663 CB 1.528 81 residues pruned to eliminate duplicates Z: 10 15.361 1.879 1.005 0.647 0.778 0.778 CB 1.523 10 residues pruned to eliminate duplicates Z: 16 31.639 2.138 0.763 0.909 1.000 0.800 CA 1.538 16 residues pruned to eliminate duplicates Z: 36 41.851 2.214 0.959 0.572 0.971 0.743 CB 1.567 36 residues pruned to eliminate duplicates Z: 21 30.750 2.161 0.899 0.744 0.900 0.750 CB 1.497 21 residues pruned to eliminate duplicates Z: 11 12.770 1.775 0.949 0.741 0.900 0.700 CB 1.046 10 residues pruned to eliminate duplicates Z: 15 20.866 1.753 0.936 0.831 1.000 0.857 CB 1.234 15 residues pruned to eliminate duplicates Z: 10 14.148 1.940 0.867 0.634 0.889 0.778 CB 1.292 10 residues pruned to eliminate duplicates Z: 27 20.390 1.980 1.021 0.495 0.923 0.731 CB 1.088 27 residues pruned to eliminate duplicates Z: 17 32.733 2.125 0.861 0.915 0.938 0.875 CB 1.560 17 residues pruned to eliminate duplicates Z: 17 21.816 2.110 0.970 0.511 1.000 0.750 CB 1.297 17 residues pruned to eliminate duplicates Z: 34 31.770 2.036 0.757 0.579 1.000 0.879 CB 1.432 34 residues pruned to eliminate duplicates Z: 9 18.222 1.986 0.691 0.746 1.000 0.875 CA 1.539 9 residues pruned to eliminate duplicates Z: 10 21.785 2.052 1.430 0.722 0.889 0.889 CB 1.341 10 residues pruned to eliminate duplicates Z: 6 5.305 1.682 0.087 0.713 0.800 0.600 CA 1.338 6 residues pruned to eliminate duplicates Z: 26 22.817 2.007 1.003 0.472 0.880 0.640 CB 1.327 26 residues pruned to eliminate duplicates Z: 46 39.782 2.101 1.102 0.530 0.933 0.622 CB 1.396 46 residues pruned to eliminate duplicates Z: 39 42.839 2.166 1.100 0.632 0.921 0.605 CB 1.466 39 residues pruned to eliminate duplicates Z: 110 62.511 2.154 0.995 0.543 0.917 0.560 CB 1.456 114 residues pruned to eliminate duplicates Z: 43 35.619 2.029 1.083 0.560 0.929 0.690 CB 1.321 43 residues pruned to eliminate duplicates Z: 8 7.917 1.739 0.559 0.475 1.000 0.571 CB 1.132 4 residues pruned to eliminate duplicates Z: 13 15.100 1.851 0.511 0.805 0.917 0.833 CB 1.303 13 residues pruned to eliminate duplicates Z: 16 32.508 2.189 1.026 0.824 1.000 0.533 CB 1.429 16 residues pruned to eliminate duplicates Z: 7 4.752 1.801 0.169 0.387 1.000 0.500 CB 1.039 7 residues pruned to eliminate duplicates Z: 24 17.184 2.013 0.876 0.345 0.826 0.609 CB 1.360 24 residues pruned to eliminate duplicates Z: 16 24.046 2.174 0.961 0.394 0.933 0.600 CB 1.746 16 residues pruned to eliminate duplicates Z: 14 20.557 1.873 0.927 0.832 1.000 0.846 CB 1.186 14 residues pruned to eliminate duplicates Z: 57 34.478 2.048 0.971 0.494 0.893 0.696 CB 1.286 57 residues pruned to eliminate duplicates Z: 24 23.066 2.108 1.127 0.495 0.870 0.739 CB 1.239 17 residues pruned to eliminate duplicates Z: 31 22.757 2.041 1.064 0.484 0.867 0.700 CB 1.157 31 residues pruned to eliminate duplicates Z: 15 39.375 2.282 1.123 0.953 1.000 0.857 CB 1.495 15 residues pruned to eliminate duplicates Z: 11 22.395 2.096 1.287 0.564 0.900 0.900 CB 1.544 11 residues pruned to eliminate duplicates Z: 20 25.087 2.030 0.805 0.538 1.000 0.737 CB 1.513 20 residues pruned to eliminate duplicates Z: 94 53.993 2.166 0.861 0.547 0.935 0.613 CB 1.418 94 residues pruned to eliminate duplicates Z: 17 23.543 2.155 1.052 0.532 1.000 0.688 CB 1.289 17 residues pruned to eliminate duplicates Z: 12 16.753 1.983 0.764 0.645 0.909 0.727 CB 1.387 12 residues pruned to eliminate duplicates Z: 15 22.286 2.188 0.359 0.913 0.929 0.929 CB 1.526 15 residues pruned to eliminate duplicates Z: 12 13.047 1.878 0.872 0.606 0.818 0.727 CB 1.236 12 residues pruned to eliminate duplicates Z: 15 37.499 2.297 0.921 0.957 1.000 1.000 CB 1.560 15 residues pruned to eliminate duplicates Z: 15 30.287 2.270 0.627 0.913 1.000 0.857 CB 1.552 15 residues pruned to eliminate duplicates Z: 16 35.745 2.229 0.854 0.937 1.000 0.867 CB 1.554 16 residues pruned to eliminate duplicates Z: 14 23.752 1.925 1.100 0.800 0.923 0.615 CB 1.358 14 residues pruned to eliminate duplicates Z: 15 21.102 1.958 1.035 0.788 0.929 0.571 CB 1.184 15 residues pruned to eliminate duplicates Z: 14 22.148 1.996 0.868 0.649 1.000 0.769 CB 1.433 14 residues pruned to eliminate duplicates Z: 27 29.268 2.226 1.288 0.352 0.923 0.654 CB 1.433 27 residues pruned to eliminate duplicates Z: 14 18.751 1.907 1.150 0.819 0.923 0.846 CB 1.042 14 residues pruned to eliminate duplicates Z: 7 6.927 1.413 0.495 0.705 1.000 0.833 CA 1.112 7 residues pruned to eliminate duplicates Z: 49 44.113 2.176 1.015 0.566 0.917 0.625 CB 1.486 49 residues pruned to eliminate duplicates Z: 8 13.418 1.903 0.999 0.455 1.000 0.429 CB 1.396 Z: 11 23.231 2.116 1.162 0.593 1.000 0.800 CB 1.468 11 residues pruned to eliminate duplicates Z: 94 55.860 2.148 0.862 0.569 0.935 0.720 CB 1.448 94 residues pruned to eliminate duplicates Z: 7 6.143 1.542 0.988 0.558 1.000 0.667 CB 0.774 Z: 16 35.144 2.190 0.916 0.951 1.000 0.667 CB 1.490 16 residues pruned to eliminate duplicates Z: 95 55.815 2.145 0.883 0.542 0.957 0.670 CB 1.429 95 residues pruned to eliminate duplicates Z: 17 17.272 2.145 0.705 0.478 0.938 0.625 CB 1.287 17 residues pruned to eliminate duplicates Z: 15 17.309 1.866 0.807 0.534 0.929 0.786 CB 1.430 15 residues pruned to eliminate duplicates Z: 27 30.821 2.106 1.249 0.536 0.962 0.692 CB 1.282 27 residues pruned to eliminate duplicates Z: 19 25.305 2.088 0.430 0.817 1.000 0.833 CB 1.517 19 residues pruned to eliminate duplicates Z: 45 40.725 2.107 1.047 0.564 0.955 0.705 CB 1.402 45 residues pruned to eliminate duplicates Z: 14 33.969 2.189 1.062 0.931 1.000 0.846 CB 1.459 14 residues pruned to eliminate duplicates Z: 15 22.683 2.100 1.064 0.560 0.857 0.786 CB 1.539 15 residues pruned to eliminate duplicates Z: 14 31.028 2.149 1.295 0.821 0.923 0.846 CB 1.430 14 residues pruned to eliminate duplicates Z: 95 63.727 2.233 0.966 0.544 0.936 0.660 CB 1.532 95 residues pruned to eliminate duplicates Z: 15 29.500 2.124 0.714 0.920 1.000 0.929 CB 1.525 15 residues pruned to eliminate duplicates Z: 13 18.070 1.881 1.276 0.386 0.917 0.750 CB 1.500 13 residues pruned to eliminate duplicates Z: 10 14.608 1.889 1.031 0.763 0.889 0.889 CB 1.131 10 residues pruned to eliminate duplicates Z: 14 8.680 1.707 0.668 0.505 0.923 0.615 CB 0.912 14 residues pruned to eliminate duplicates Z: 43 45.824 2.202 1.197 0.569 0.929 0.786 CB 1.473 43 residues pruned to eliminate duplicates Z: 14 21.716 1.865 0.960 0.834 1.000 0.769 CB 1.235 14 residues pruned to eliminate duplicates Z: 81 60.686 2.234 1.008 0.515 0.963 0.650 CB 1.548 82 residues pruned to eliminate duplicates Z: 44 45.793 2.207 1.060 0.566 0.977 0.674 CB 1.475 44 residues pruned to eliminate duplicates Z: 8 9.343 1.786 0.800 0.639 0.857 0.714 CB 1.125 8 residues pruned to eliminate duplicates Z: 6 5.365 1.342 0.555 0.806 1.000 1.000 C 0.880 6 residues pruned to eliminate duplicates Z: 11 16.200 2.022 1.140 0.550 0.900 0.800 CB 1.253 11 residues pruned to eliminate duplicates Z: 11 46.396 2.389 1.459 0.927 1.000 0.900 CB 1.751 11 residues pruned to eliminate duplicates Z: 13 18.357 1.914 0.877 0.797 0.917 0.833 CB 1.241 13 residues pruned to eliminate duplicates Z: 14 23.279 1.993 1.231 0.837 0.923 0.846 CA 1.176 14 residues pruned to eliminate duplicates Z: 95 52.179 2.141 0.894 0.528 0.947 0.670 CB 1.363 95 residues pruned to eliminate duplicates Z: 35 26.033 2.049 0.638 0.534 0.941 0.676 CB 1.366 35 residues pruned to eliminate duplicates Z: 12 10.839 1.777 0.738 0.582 0.909 0.545 CB 1.076 12 residues pruned to eliminate duplicates Z: 9 10.537 1.836 0.378 0.524 1.000 0.875 CB 1.437 4 residues pruned to eliminate duplicates Z: 16 26.085 2.108 0.564 0.949 1.000 0.933 CB 1.409 16 residues pruned to eliminate duplicates Z: 10 13.783 1.882 0.807 0.752 1.000 0.889 CB 1.079 10 residues pruned to eliminate duplicates Z: 34 22.715 1.886 0.775 0.454 0.879 0.485 CB 1.409 34 residues pruned to eliminate duplicates Z: 94 59.622 2.171 0.947 0.567 0.957 0.677 CB 1.432 94 residues pruned to eliminate duplicates Z: 13 21.902 1.997 0.826 0.781 0.917 0.500 CB 1.477 13 residues pruned to eliminate duplicates Z: 70 34.366 2.049 0.980 0.485 0.870 0.565 CB 1.191 73 residues pruned to eliminate duplicates Z: 8 5.252 1.874 0.039 0.402 0.857 0.857 CB 1.319 8 residues pruned to eliminate duplicates Z: 50 37.994 2.071 0.954 0.527 0.959 0.694 CB 1.361 50 residues pruned to eliminate duplicates Z: 92 49.016 2.133 1.024 0.490 0.890 0.571 CB 1.351 90 residues pruned to eliminate duplicates Z: 51 37.918 2.123 0.903 0.526 0.940 0.700 CB 1.377 51 residues pruned to eliminate duplicates Z: 13 18.145 1.890 0.749 0.797 0.917 0.917 CB 1.333 13 residues pruned to eliminate duplicates Z: 12 12.119 2.049 0.937 0.396 0.909 0.636 CB 1.131 12 residues pruned to eliminate duplicates Z: 13 34.745 2.171 1.091 0.933 1.000 0.917 CB 1.542 13 residues pruned to eliminate duplicates Z: 92 56.258 2.146 0.931 0.543 0.956 0.681 CB 1.427 92 residues pruned to eliminate duplicates Z: 12 14.775 1.947 0.963 0.532 0.909 0.818 CB 1.242 12 residues pruned to eliminate duplicates Z: 44 40.496 2.145 1.035 0.509 0.907 0.674 CB 1.545 44 residues pruned to eliminate duplicates Z: 15 32.412 2.129 0.926 0.928 1.000 0.714 CB 1.479 15 residues pruned to eliminate duplicates Z: 33 45.156 2.222 1.168 0.592 0.969 0.781 CB 1.566 33 residues pruned to eliminate duplicates Z: 41 39.646 2.187 0.833 0.594 0.975 0.625 CB 1.466 41 residues pruned to eliminate duplicates Z: 14 23.223 1.890 1.170 0.836 0.923 0.385 CB 1.274 14 residues pruned to eliminate duplicates Z: 51 37.289 2.140 0.973 0.466 0.900 0.640 CB 1.437 51 residues pruned to eliminate duplicates Z: 8 4.251 1.859 0.172 0.400 1.000 0.571 CB 0.820 8 residues pruned to eliminate duplicates Z: 53 42.199 2.122 1.002 0.538 0.923 0.654 CB 1.438 53 residues pruned to eliminate duplicates Z: 16 25.761 2.069 0.623 0.921 1.000 0.933 CB 1.394 16 residues pruned to eliminate duplicates Z: 6 2.885 1.507 0.247 0.401 0.800 0.600 CA 0.953 6 residues pruned to eliminate duplicates Z: 16 26.524 2.063 0.747 0.866 0.933 0.800 CA 1.489 16 residues pruned to eliminate duplicates Z: 51 41.882 2.104 1.028 0.512 0.900 0.660 CB 1.524 51 residues pruned to eliminate duplicates Z: 6 2.589 1.331 1.019 0.470 0.600 0.400 C 0.741 Z: 13 12.231 2.034 0.877 0.403 0.917 0.500 CB 1.117 13 residues pruned to eliminate duplicates Z: 15 35.217 2.285 1.031 0.938 0.929 0.786 CB 1.518 15 residues pruned to eliminate duplicates Z: 24 25.800 2.073 1.198 0.519 0.957 0.739 CB 1.211 25 residues pruned to eliminate duplicates Z: 13 19.370 1.836 0.788 0.824 1.000 0.750 CA 1.287 13 residues pruned to eliminate duplicates Z: 17 32.750 2.217 1.132 0.692 0.875 0.688 CB 1.661 17 residues pruned to eliminate duplicates Z: 7 5.030 1.640 0.362 0.605 0.833 0.500 CA 0.998 7 residues pruned to eliminate duplicates Z: 16 30.413 2.061 0.822 0.919 1.000 0.800 CB 1.474 16 residues pruned to eliminate duplicates Z: 34 18.204 1.911 1.059 0.357 0.879 0.545 CB 1.069 34 residues pruned to eliminate duplicates Z: 14 16.153 1.709 0.768 0.821 0.923 0.692 CB 1.216 14 residues pruned to eliminate duplicates Z: 16 26.916 2.096 0.736 0.931 0.933 0.933 CB 1.430 16 residues pruned to eliminate duplicates Z: 9 8.715 1.777 0.710 0.464 1.000 0.750 CB 1.052 9 residues pruned to eliminate duplicates Z: 37 22.904 1.988 0.825 0.481 0.889 0.583 CB 1.207 41 residues pruned to eliminate duplicates Z: 13 14.170 1.741 0.713 0.855 0.917 0.750 CB 1.104 13 residues pruned to eliminate duplicates Z: 7 6.139 1.591 0.435 0.616 1.000 0.500 CB 0.984 7 residues pruned to eliminate duplicates Z: 29 19.988 2.046 1.184 0.399 0.821 0.643 CB 1.145 29 residues pruned to eliminate duplicates Z: 110 52.877 2.116 0.962 0.502 0.899 0.633 CB 1.354 111 residues pruned to eliminate duplicates Z: 57 44.561 2.216 1.026 0.498 0.893 0.643 CB 1.488 57 residues pruned to eliminate duplicates Z: 36 25.115 1.935 0.885 0.516 0.857 0.629 CB 1.336 36 residues pruned to eliminate duplicates Z: 20 19.602 1.897 0.760 0.537 0.947 0.789 CB 1.371 20 residues pruned to eliminate duplicates Z: 13 27.864 2.235 1.129 0.813 0.833 0.667 CB 1.545 13 residues pruned to eliminate duplicates Z: 13 19.974 1.867 0.855 0.826 1.000 0.667 CB 1.256 13 residues pruned to eliminate duplicates Z: 42 27.545 2.027 1.073 0.516 0.878 0.683 CB 1.147 42 residues pruned to eliminate duplicates Z: 8 8.565 1.699 1.127 0.728 0.857 0.857 CB 0.851 Z: 11 17.149 2.050 1.129 0.547 0.900 0.800 CB 1.318 11 residues pruned to eliminate duplicates Z: 9 7.356 1.872 0.668 0.631 0.875 0.750 CB 0.842 9 residues pruned to eliminate duplicates Z: 33 35.665 2.051 0.937 0.627 0.969 0.781 CB 1.454 33 residues pruned to eliminate duplicates Z: 15 20.550 1.762 0.898 0.859 1.000 0.643 CB 1.208 15 residues pruned to eliminate duplicates Z: 16 28.313 2.094 0.795 0.888 1.000 0.733 CB 1.402 16 residues pruned to eliminate duplicates Z: 37 22.185 2.001 0.849 0.481 0.889 0.722 CB 1.146 37 residues pruned to eliminate duplicates Z: 8 7.347 1.740 0.802 0.736 1.000 0.714 CB 0.716 Z: 17 18.975 2.126 0.919 0.515 0.938 0.750 CB 1.222 17 residues pruned to eliminate duplicates Z: 9 5.327 1.377 0.367 0.339 1.000 0.250 C 1.193 9 residues pruned to eliminate duplicates Z: 9 17.469 2.010 0.978 0.702 0.875 0.875 CB 1.477 9 residues pruned to eliminate duplicates Z: 9 3.032 1.564 0.216 0.232 0.625 0.500 CB 1.233 Z: 53 39.791 2.058 1.003 0.520 0.942 0.654 CB 1.393 53 residues pruned to eliminate duplicates Z: 51 42.966 2.181 0.989 0.556 0.920 0.580 CB 1.442 51 residues pruned to eliminate duplicates Z: 10 20.689 2.157 1.089 0.626 0.889 0.889 CB 1.529 10 residues pruned to eliminate duplicates Z: 11 3.109 1.454 0.709 0.191 0.700 0.200 CB 0.817 11 residues pruned to eliminate duplicates Z: 14 22.883 1.861 0.911 0.888 1.000 0.692 CB 1.285 14 residues pruned to eliminate duplicates Z: 53 40.719 2.188 0.926 0.492 0.904 0.596 CB 1.495 53 residues pruned to eliminate duplicates Z: 15 5.659 1.479 0.185 0.429 0.929 0.500 CB 1.000 15 residues pruned to eliminate duplicates Z: 11 16.086 1.796 1.024 0.757 0.900 0.800 CA 1.237 11 residues pruned to eliminate duplicates Z: 6 5.411 1.609 0.421 0.634 0.800 0.800 CB 1.167 6 residues pruned to eliminate duplicates Z: 27 32.485 2.168 0.856 0.602 0.962 0.731 CB 1.494 27 residues pruned to eliminate duplicates Z: 15 18.907 1.807 0.716 0.848 1.000 0.714 CB 1.209 15 residues pruned to eliminate duplicates Z: 74 54.924 2.112 0.979 0.568 0.973 0.616 CB 1.481 74 residues pruned to eliminate duplicates Z: 49 43.785 2.251 0.895 0.569 0.958 0.729 CB 1.447 49 residues pruned to eliminate duplicates Z: 15 19.201 1.905 0.855 0.508 0.929 0.857 CA 1.553 15 residues pruned to eliminate duplicates Z: 55 37.774 2.090 0.856 0.507 0.926 0.704 CB 1.422 55 residues pruned to eliminate duplicates Z: 91 60.370 2.183 1.048 0.542 0.933 0.689 CB 1.463 91 residues pruned to eliminate duplicates Z: 15 11.937 2.045 0.751 0.450 0.857 0.643 CB 1.094 15 residues pruned to eliminate duplicates Z: 90 48.835 2.081 0.936 0.516 0.899 0.618 CB 1.407 90 residues pruned to eliminate duplicates Z: 39 28.557 2.091 0.771 0.468 0.947 0.579 CB 1.364 39 residues pruned to eliminate duplicates Z: 20 26.319 2.126 1.078 0.461 0.947 0.632 CB 1.502 20 residues pruned to eliminate duplicates Z: 68 39.656 2.081 0.941 0.494 0.940 0.612 CB 1.283 68 residues pruned to eliminate duplicates Z: 14 22.387 1.817 0.970 0.875 1.000 0.923 CB 1.262 14 residues pruned to eliminate duplicates Z: 81 52.443 2.140 0.972 0.546 0.963 0.750 CB 1.380 81 residues pruned to eliminate duplicates Z: 15 33.345 2.117 0.988 0.937 1.000 0.857 CB 1.473 15 residues pruned to eliminate duplicates 6 1.082 1.260 0.404 0.392 0.600 0.400 N 0.511 ? Z: 17 26.763 2.011 0.684 0.896 1.000 0.750 CB 1.415 17 residues pruned to eliminate duplicates Z: 48 40.806 2.064 1.051 0.529 0.957 0.681 CB 1.427 48 residues pruned to eliminate duplicates Z: 12 13.442 1.846 0.310 0.906 1.000 1.000 CB 1.192 12 residues pruned to eliminate duplicates Z: 41 38.730 2.217 0.853 0.591 0.925 0.575 CB 1.477 41 residues pruned to eliminate duplicates Z: 44 39.215 2.057 0.966 0.533 0.953 0.744 CB 1.502 44 residues pruned to eliminate duplicates Z: 6 2.976 1.631 0.717 0.471 0.600 0.600 N 0.816 Z: 10 27.342 2.104 1.270 0.724 1.000 1.000 CB 1.559 10 residues pruned to eliminate duplicates Z: 19 19.797 1.920 1.233 0.370 0.833 0.611 CB 1.501 19 residues pruned to eliminate duplicates Z: 6 6.031 1.839 1.325 0.816 1.000 1.000 CB 0.479 Z: 19 21.949 2.073 0.764 0.550 0.889 0.556 CA 1.516 19 residues pruned to eliminate duplicates Z: 15 25.512 2.079 1.255 0.478 0.929 0.714 CB 1.601 15 residues pruned to eliminate duplicates Z: 25 22.390 1.959 1.074 0.495 0.917 0.750 CB 1.233 25 residues pruned to eliminate duplicates Z: 12 26.027 2.377 0.778 0.824 0.818 0.727 CB 1.713 12 residues pruned to eliminate duplicates Z: 23 21.861 2.060 1.026 0.518 0.864 0.727 CB 1.270 23 residues pruned to eliminate duplicates Z: 42 37.275 2.134 0.873 0.592 0.951 0.634 CB 1.403 42 residues pruned to eliminate duplicates Z: 14 32.118 2.078 0.878 0.887 1.000 0.923 CA 1.646 14 residues pruned to eliminate duplicates Z: 49 32.235 2.105 0.788 0.486 0.896 0.604 CB 1.400 49 residues pruned to eliminate duplicates Z: 34 46.006 2.165 1.195 0.586 1.000 0.818 CB 1.553 34 residues pruned to eliminate duplicates Z: 29 24.359 1.986 0.961 0.482 0.893 0.571 CB 1.348 29 residues pruned to eliminate duplicates Z: 85 58.576 2.188 1.129 0.559 0.917 0.607 CB 1.413 85 residues pruned to eliminate duplicates Z: 8 28.701 2.301 1.123 0.717 1.000 1.000 CA 1.825 8 residues pruned to eliminate duplicates Z: 44 38.817 2.172 0.983 0.504 0.930 0.698 CB 1.471 44 residues pruned to eliminate duplicates Z: 17 26.787 2.219 1.080 0.637 0.938 0.688 CB 1.361 17 residues pruned to eliminate duplicates Z: 14 26.983 1.904 1.199 0.857 1.000 0.846 CB 1.317 14 residues pruned to eliminate duplicates Z: 8 7.875 1.721 0.975 0.537 1.000 0.857 CB 0.844 8 residues pruned to eliminate duplicates Z: 9 27.796 2.107 1.250 0.902 1.000 0.875 CB 1.478 9 residues pruned to eliminate duplicates Z: 15 22.159 1.771 1.036 0.845 1.000 0.786 CA 1.221 15 residues pruned to eliminate duplicates Z: 40 32.626 2.097 0.730 0.573 0.949 0.615 CB 1.415 40 residues pruned to eliminate duplicates Z: 9 19.677 2.150 1.101 0.667 0.875 0.875 CB 1.508 9 residues pruned to eliminate duplicates Z: 49 37.346 2.163 0.821 0.530 0.917 0.646 CB 1.449 49 residues pruned to eliminate duplicates Z: 6 3.358 1.460 -0.272 0.618 1.000 0.600 N 1.264 Z: 17 28.758 2.141 1.082 0.522 1.000 0.750 CB 1.578 17 residues pruned to eliminate duplicates 6 1.496 1.376 0.345 0.299 0.800 0.400 CB 0.565 ? Z: 7 5.123 1.585 0.030 0.623 1.000 0.500 N 1.140 Z: 70 42.930 2.022 0.948 0.501 0.913 0.710 CB 1.436 158 residues pruned to eliminate duplicates Z: 54 34.446 2.086 0.754 0.511 0.925 0.623 CB 1.384 54 residues pruned to eliminate duplicates Z: 10 29.649 2.324 1.078 0.789 1.000 0.889 CA 1.588 Z: 16 25.012 2.050 0.932 0.496 1.000 0.800 CA 1.637 16 residues pruned to eliminate duplicates Z: 6 4.904 1.841 0.214 0.516 0.800 0.400 CB 1.208 Z: 6 3.747 1.435 0.504 0.437 0.800 0.600 CA 1.036 6 residues pruned to eliminate duplicates 6 0.291 1.608 0.418 0.491 0.600 0.600 CB 0.096 ? Z: 77 53.084 2.153 0.977 0.564 0.947 0.724 CB 1.419 77 residues pruned to eliminate duplicates Z: 41 45.377 2.144 1.117 0.557 0.975 0.650 CB 1.534 41 residues pruned to eliminate duplicates Z: 44 33.164 2.154 0.855 0.478 0.860 0.558 CB 1.504 44 residues pruned to eliminate duplicates Z: 24 26.860 2.061 0.725 0.491 0.957 0.739 CB 1.662 24 residues pruned to eliminate duplicates Z: 44 37.887 2.078 1.094 0.589 0.907 0.605 CB 1.344 12 residues pruned to eliminate duplicates Z: 6 2.247 1.394 -0.029 0.487 0.800 0.600 O 0.940 Z: 13 9.390 1.592 0.580 0.698 0.917 0.750 CB 0.981 13 residues pruned to eliminate duplicates Z: 23 22.829 2.092 0.898 0.481 0.909 0.682 CB 1.374 6 residues pruned to eliminate duplicates Z: 65 42.676 2.161 0.831 0.511 0.922 0.625 CB 1.447 43 residues pruned to eliminate duplicates Z: 58 44.416 2.135 1.123 0.510 0.895 0.667 CB 1.435 58 residues pruned to eliminate duplicates Z: 6 10.061 1.728 0.938 0.660 1.000 0.600 CA 1.159 6 residues pruned to eliminate duplicates Z: 33 30.658 2.018 1.002 0.610 0.938 0.750 CB 1.290 33 residues pruned to eliminate duplicates Z: 18 27.328 2.063 1.157 0.666 0.941 0.588 CB 1.356 11 residues pruned to eliminate duplicates Z: 15 24.891 1.820 1.052 0.887 1.000 0.786 CB 1.284 15 residues pruned to eliminate duplicates Z: 8 6.022 1.520 0.221 0.564 0.857 0.714 O 1.346 6 residues pruned to eliminate duplicates Z: 10 12.555 1.893 0.767 0.604 0.889 0.778 CB 1.275 10 residues pruned to eliminate duplicates Z: 18 16.630 1.660 0.634 0.844 1.000 0.941 CB 1.106 18 residues pruned to eliminate duplicates Z: 42 33.494 2.059 1.027 0.538 0.902 0.634 CB 1.338 42 residues pruned to eliminate duplicates Z: 16 29.824 2.096 0.849 0.926 1.000 1.000 CB 1.393 16 residues pruned to eliminate duplicates 356 residues left after pruning, divided into chains as follows: A: 14 B: 152 C: 13 D: 11 E: 20 F: 99 G: 7 H: 40 CC for partial structure against native data = 36.93 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.449, Connect. = 0.729 for dens.mod. cycle 1 = 0.300, Contrast = 0.523, Connect. = 0.758 for dens.mod. cycle 2 = 0.300, Contrast = 0.624, Connect. = 0.787 for dens.mod. cycle 3 = 0.300, Contrast = 0.635, Connect. = 0.790 for dens.mod. cycle 4 = 0.300, Contrast = 0.648, Connect. = 0.793 for dens.mod. cycle 5 = 0.300, Contrast = 0.656, Connect. = 0.795 for dens.mod. cycle 6 = 0.300, Contrast = 0.663, Connect. = 0.797 for dens.mod. cycle 7 = 0.300, Contrast = 0.667, Connect. = 0.798 for dens.mod. cycle 8 = 0.300, Contrast = 0.672, Connect. = 0.799 for dens.mod. cycle 9 = 0.300, Contrast = 0.675, Connect. = 0.799 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2374 peaks > 0.5 sigma used to seed fragment search Space for about 500 unique residues taking solvent into account 542 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 34.774 2.537 0.842 0.850 0.909 0.818 CB 1.828 B: 12 34.326 2.306 0.751 0.899 1.000 0.909 CB 1.832 12 residues pruned to eliminate duplicates C: 13 26.482 2.385 0.313 0.800 1.000 0.750 CB 1.879 13 residues pruned to eliminate duplicates D: 12 43.310 2.352 1.195 0.908 1.000 0.818 CB 1.796 E: 14 25.643 2.268 0.681 0.875 0.923 0.923 CB 1.470 13 residues pruned to eliminate duplicates F: 14 35.735 2.273 1.062 0.816 0.923 0.846 CB 1.740 14 residues pruned to eliminate duplicates G: 14 32.245 2.261 0.773 0.851 1.000 0.923 CB 1.651 12 residues pruned to eliminate duplicates H: 13 25.694 2.199 0.762 0.881 0.833 0.750 CB 1.663 13 residues pruned to eliminate duplicates I: 11 37.889 2.495 0.906 0.911 0.900 0.900 CB 1.983 11 residues pruned to eliminate duplicates J: 13 38.916 2.259 1.116 0.902 0.917 0.833 CB 1.828 14 residues pruned to eliminate duplicates K: 13 40.020 2.220 1.049 0.926 1.000 0.833 CB 1.781 13 residues pruned to eliminate duplicates L: 15 34.208 2.383 0.522 0.930 1.000 0.929 CB 1.762 M: 14 32.851 2.202 0.954 0.848 1.000 0.692 CA 1.571 N: 13 49.677 2.417 1.201 0.867 1.000 0.750 CA 1.973 13 residues pruned to eliminate duplicates O: 17 32.385 2.177 0.717 0.871 1.000 0.750 CB 1.580 15 residues pruned to eliminate duplicates P: 15 40.833 2.197 1.080 0.871 1.000 0.857 C 1.742 15 residues pruned to eliminate duplicates Q: 14 33.386 2.225 0.790 0.882 1.000 0.923 CB 1.682 R: 14 36.024 2.268 0.935 0.852 0.923 0.923 CA 1.823 14 residues pruned to eliminate duplicates S: 12 33.686 2.511 0.831 0.886 0.909 0.909 CA 1.753 13 residues pruned to eliminate duplicates T: 12 44.917 2.359 1.240 0.930 1.000 0.909 CB 1.792 11 residues pruned to eliminate duplicates U: 14 37.257 2.253 1.228 0.851 0.923 0.923 CA 1.651 13 residues pruned to eliminate duplicates V: 14 23.039 2.238 0.618 0.808 0.923 0.769 CB 1.461 14 residues pruned to eliminate duplicates W: 13 34.066 2.366 0.807 0.855 1.000 0.833 CA 1.698 13 residues pruned to eliminate duplicates X: 13 22.104 2.227 0.783 0.499 0.917 0.750 C 1.755 Y: 16 37.981 2.307 0.707 0.929 1.000 0.867 CB 1.743 17 residues pruned to eliminate duplicates Z: 10 26.913 2.200 1.039 0.762 1.000 0.778 CB 1.585 Z: 16 19.427 1.957 0.781 0.607 0.933 0.800 CB 1.393 Z: 14 34.128 2.257 1.105 0.850 0.923 0.923 CA 1.599 14 residues pruned to eliminate duplicates Z: 14 36.702 2.233 0.839 0.862 1.000 1.000 CB 1.821 14 residues pruned to eliminate duplicates Z: 17 28.474 2.240 0.777 0.857 0.875 0.812 CB 1.506 Z: 13 37.340 2.321 1.225 0.844 0.917 0.833 CA 1.694 13 residues pruned to eliminate duplicates Z: 10 23.320 2.202 0.905 0.734 1.000 0.778 CB 1.501 10 residues pruned to eliminate duplicates Z: 11 28.243 2.347 0.856 0.846 0.900 0.700 CB 1.693 11 residues pruned to eliminate duplicates Z: 60 55.947 2.372 0.865 0.539 0.932 0.678 CB 1.700 29 residues pruned to eliminate duplicates Z: 16 33.971 2.209 0.777 0.930 1.000 0.867 CB 1.563 17 residues pruned to eliminate duplicates Z: 12 25.386 2.455 0.376 0.856 0.909 0.909 CB 1.837 12 residues pruned to eliminate duplicates Z: 16 31.061 2.225 0.628 0.932 1.000 0.800 CB 1.546 16 residues pruned to eliminate duplicates Z: 16 38.407 2.274 0.834 0.906 1.000 0.600 CB 1.691 16 residues pruned to eliminate duplicates Z: 12 26.268 2.336 0.489 0.817 1.000 0.909 CB 1.729 12 residues pruned to eliminate duplicates Z: 17 36.152 2.381 0.635 0.805 1.000 0.938 CA 1.778 17 residues pruned to eliminate duplicates Z: 12 32.359 2.383 1.057 0.883 0.909 0.818 CA 1.583 13 residues pruned to eliminate duplicates Z: 64 47.995 2.331 0.707 0.499 0.937 0.619 CB 1.624 64 residues pruned to eliminate duplicates Z: 9 27.830 2.299 1.090 0.831 1.000 0.875 CB 1.539 9 residues pruned to eliminate duplicates Z: 14 34.719 2.214 0.873 0.897 1.000 1.000 CB 1.662 14 residues pruned to eliminate duplicates Z: 36 40.913 2.240 0.810 0.570 0.943 0.743 CB 1.692 14 residues pruned to eliminate duplicates Z: 18 19.202 2.148 0.629 0.428 0.882 0.647 CB 1.626 13 residues pruned to eliminate duplicates Z: 29 21.324 2.123 0.748 0.399 0.857 0.679 CB 1.409 Z: 33 43.255 2.312 0.786 0.615 0.969 0.750 CB 1.714 33 residues pruned to eliminate duplicates Z: 14 16.087 2.016 1.124 0.358 0.923 0.615 CB 1.316 Z: 61 53.505 2.280 0.815 0.552 0.933 0.633 CB 1.701 48 residues pruned to eliminate duplicates Z: 13 10.968 1.952 0.861 0.353 0.917 0.667 CB 1.114 9 residues pruned to eliminate duplicates Z: 13 20.100 2.020 0.587 0.864 1.000 0.833 CB 1.327 Z: 15 21.326 1.995 0.795 0.569 0.929 0.714 CB 1.604 15 residues pruned to eliminate duplicates Z: 32 32.181 2.081 0.725 0.625 0.968 0.710 CB 1.478 15 residues pruned to eliminate duplicates Z: 17 27.906 2.370 0.458 0.818 0.938 0.688 CA 1.634 17 residues pruned to eliminate duplicates Z: 15 12.934 1.954 0.391 0.484 0.929 0.571 CB 1.392 15 residues pruned to eliminate duplicates Z: 16 20.645 1.992 0.701 0.619 1.000 0.800 CB 1.406 16 residues pruned to eliminate duplicates Z: 18 30.557 2.305 0.964 0.459 0.941 0.529 CB 1.813 23 residues pruned to eliminate duplicates Z: 22 19.933 2.212 0.914 0.368 0.810 0.524 CB 1.462 22 residues pruned to eliminate duplicates Z: 32 33.831 2.075 0.823 0.634 1.000 0.806 CB 1.416 32 residues pruned to eliminate duplicates Z: 16 30.861 2.228 0.602 0.923 1.000 0.800 CB 1.569 16 residues pruned to eliminate duplicates Z: 32 32.818 2.084 0.725 0.623 1.000 0.774 CB 1.459 32 residues pruned to eliminate duplicates Z: 14 32.020 2.247 0.832 0.862 1.000 0.769 CB 1.584 14 residues pruned to eliminate duplicates Z: 13 34.659 2.369 0.778 0.875 1.000 0.833 CA 1.728 13 residues pruned to eliminate duplicates Z: 15 17.483 2.037 0.580 0.569 0.929 0.714 CB 1.463 16 residues pruned to eliminate duplicates Z: 16 36.150 2.303 0.780 0.936 0.933 0.800 CB 1.699 16 residues pruned to eliminate duplicates Z: 35 40.503 2.278 0.706 0.578 1.000 0.735 CB 1.658 35 residues pruned to eliminate duplicates Z: 66 48.709 2.286 0.782 0.487 0.938 0.569 CB 1.601 66 residues pruned to eliminate duplicates Z: 92 57.788 2.266 0.793 0.543 0.912 0.681 CB 1.567 60 residues pruned to eliminate duplicates Z: 94 60.755 2.273 0.806 0.545 0.935 0.656 CB 1.571 93 residues pruned to eliminate duplicates Z: 93 61.117 2.295 0.795 0.557 0.924 0.696 CB 1.585 93 residues pruned to eliminate duplicates Z: 62 48.684 2.316 0.733 0.506 0.951 0.557 CB 1.623 62 residues pruned to eliminate duplicates Z: 25 22.869 2.135 0.919 0.445 0.875 0.625 CB 1.379 Z: 16 26.508 2.000 1.013 0.848 0.933 0.800 CB 1.352 16 residues pruned to eliminate duplicates Z: 17 20.979 2.284 0.869 0.499 0.875 0.688 CB 1.405 19 residues pruned to eliminate duplicates Z: 12 13.506 1.858 1.008 0.606 0.909 0.818 CB 1.086 12 residues pruned to eliminate duplicates Z: 44 38.844 2.193 0.839 0.493 0.930 0.372 CB 1.591 44 residues pruned to eliminate duplicates Z: 15 29.548 2.130 1.109 0.824 0.857 0.714 CB 1.549 15 residues pruned to eliminate duplicates Z: 28 22.775 2.215 0.706 0.488 0.852 0.667 CB 1.378 28 residues pruned to eliminate duplicates Z: 61 51.961 2.245 0.890 0.569 0.900 0.567 CB 1.643 61 residues pruned to eliminate duplicates Z: 32 35.509 2.085 0.837 0.635 1.000 0.742 CB 1.467 32 residues pruned to eliminate duplicates Z: 14 30.108 2.234 0.937 0.939 1.000 0.692 CB 1.341 14 residues pruned to eliminate duplicates Z: 23 19.986 1.976 0.858 0.462 0.909 0.545 CB 1.327 13 residues pruned to eliminate duplicates Z: 17 28.721 2.158 0.529 0.933 1.000 0.875 CB 1.518 17 residues pruned to eliminate duplicates Z: 16 30.408 2.266 0.368 0.923 1.000 0.933 CB 1.779 16 residues pruned to eliminate duplicates Z: 12 34.180 2.366 0.797 0.924 1.000 1.000 CB 1.702 12 residues pruned to eliminate duplicates Z: 16 26.298 2.023 0.719 0.941 1.000 0.867 CA 1.356 Z: 16 30.386 2.289 0.428 0.893 1.000 0.867 CB 1.723 16 residues pruned to eliminate duplicates Z: 15 21.594 2.042 0.750 0.640 0.929 0.786 CB 1.526 15 residues pruned to eliminate duplicates Z: 88 56.898 2.272 0.846 0.535 0.908 0.655 CB 1.548 88 residues pruned to eliminate duplicates Z: 13 26.835 2.119 0.774 0.894 1.000 0.917 CA 1.478 13 residues pruned to eliminate duplicates Z: 11 15.286 2.178 0.849 0.534 0.800 0.800 CB 1.450 11 residues pruned to eliminate duplicates Z: 14 19.958 1.809 0.834 0.883 1.000 0.846 CB 1.207 14 residues pruned to eliminate duplicates Z: 14 11.577 1.716 0.752 0.450 0.923 0.615 CB 1.218 Z: 30 27.053 2.129 0.964 0.467 0.931 0.621 CB 1.334 25 residues pruned to eliminate duplicates Z: 26 14.266 1.977 0.628 0.381 0.840 0.480 CB 1.198 26 residues pruned to eliminate duplicates Z: 9 13.503 1.912 0.944 0.763 0.875 0.875 CB 1.162 14 residues pruned to eliminate duplicates Z: 77 58.339 2.247 0.971 0.542 0.908 0.605 CB 1.598 77 residues pruned to eliminate duplicates Z: 15 26.335 2.050 0.584 0.838 1.000 0.929 CB 1.620 15 residues pruned to eliminate duplicates Z: 92 59.866 2.294 0.711 0.536 0.967 0.637 CB 1.596 92 residues pruned to eliminate duplicates Z: 16 31.664 2.297 0.438 0.916 1.000 0.800 CB 1.748 16 residues pruned to eliminate duplicates Z: 14 33.761 2.235 0.921 0.858 1.000 0.923 CA 1.606 14 residues pruned to eliminate duplicates Z: 61 38.887 2.048 0.750 0.547 0.917 0.583 CB 1.459 30 residues pruned to eliminate duplicates Z: 36 38.722 2.214 0.905 0.578 0.886 0.743 CB 1.626 36 residues pruned to eliminate duplicates Z: 19 20.053 2.070 0.522 0.520 0.944 0.722 CB 1.558 19 residues pruned to eliminate duplicates Z: 33 33.506 2.039 0.925 0.591 1.000 0.750 CB 1.383 33 residues pruned to eliminate duplicates Z: 28 26.023 2.128 0.844 0.501 0.963 0.741 CB 1.324 26 residues pruned to eliminate duplicates Z: 55 44.050 2.156 1.000 0.492 0.944 0.500 CB 1.484 57 residues pruned to eliminate duplicates Z: 9 24.475 2.267 0.898 0.835 1.000 0.875 CB 1.507 10 residues pruned to eliminate duplicates Z: 16 26.621 1.979 0.664 0.923 1.000 0.867 CB 1.467 16 residues pruned to eliminate duplicates Z: 38 29.269 2.100 0.733 0.542 0.892 0.622 CB 1.423 47 residues pruned to eliminate duplicates Z: 18 15.008 1.820 0.805 0.463 0.824 0.529 CB 1.398 18 residues pruned to eliminate duplicates Z: 13 37.578 2.390 1.155 0.857 0.917 0.917 CA 1.693 13 residues pruned to eliminate duplicates Z: 15 29.107 2.280 0.510 0.923 1.000 0.929 CB 1.588 15 residues pruned to eliminate duplicates Z: 14 29.232 2.199 0.687 0.882 0.923 0.846 CB 1.713 14 residues pruned to eliminate duplicates Z: 11 20.441 2.218 0.927 0.569 0.900 0.800 CA 1.572 11 residues pruned to eliminate duplicates Z: 78 40.968 2.175 0.739 0.486 0.831 0.597 CB 1.506 78 residues pruned to eliminate duplicates Z: 34 28.229 2.066 0.661 0.598 1.000 0.758 CB 1.304 34 residues pruned to eliminate duplicates Z: 33 31.290 2.022 0.836 0.607 0.969 0.719 CB 1.389 33 residues pruned to eliminate duplicates Z: 16 24.190 2.013 0.679 0.925 0.933 0.867 CA 1.390 16 residues pruned to eliminate duplicates Z: 36 39.041 2.234 0.872 0.563 0.943 0.714 CB 1.574 36 residues pruned to eliminate duplicates Z: 15 26.232 2.253 0.429 0.930 1.000 0.929 CB 1.523 15 residues pruned to eliminate duplicates Z: 95 63.436 2.211 0.812 0.557 0.968 0.702 CB 1.595 91 residues pruned to eliminate duplicates Z: 36 36.105 2.197 0.739 0.558 0.943 0.686 CB 1.601 36 residues pruned to eliminate duplicates Z: 19 14.595 2.025 0.825 0.439 0.889 0.667 CB 1.115 19 residues pruned to eliminate duplicates Z: 14 27.441 2.246 0.783 0.734 0.923 0.846 CB 1.669 14 residues pruned to eliminate duplicates Z: 16 28.761 2.230 0.409 0.916 1.000 1.000 CA 1.669 16 residues pruned to eliminate duplicates Z: 71 52.307 2.195 1.048 0.521 0.900 0.700 CB 1.514 73 residues pruned to eliminate duplicates Z: 15 37.877 2.365 0.755 0.946 1.000 0.643 CB 1.686 15 residues pruned to eliminate duplicates Z: 15 29.095 2.298 0.538 0.906 0.857 0.714 CB 1.825 15 residues pruned to eliminate duplicates Z: 16 26.598 1.997 0.965 0.836 0.933 0.667 CB 1.404 16 residues pruned to eliminate duplicates Z: 17 11.259 1.917 0.733 0.289 0.938 0.562 CB 1.145 17 residues pruned to eliminate duplicates Z: 16 25.938 1.978 0.806 0.904 0.933 0.933 CA 1.431 16 residues pruned to eliminate duplicates Z: 80 46.808 2.131 0.731 0.524 0.924 0.684 CB 1.509 80 residues pruned to eliminate duplicates Z: 15 30.398 2.126 1.008 0.865 0.929 0.857 CB 1.501 15 residues pruned to eliminate duplicates Z: 51 38.435 2.181 0.785 0.532 0.960 0.600 CB 1.409 51 residues pruned to eliminate duplicates Z: 15 13.038 1.785 0.615 0.451 0.929 0.571 CB 1.369 18 residues pruned to eliminate duplicates Z: 29 28.911 2.187 0.687 0.572 0.929 0.536 CB 1.487 29 residues pruned to eliminate duplicates Z: 32 33.324 2.073 0.776 0.636 0.968 0.742 CB 1.479 32 residues pruned to eliminate duplicates Z: 80 52.668 2.140 0.820 0.520 0.975 0.658 CB 1.530 95 residues pruned to eliminate duplicates Z: 16 24.501 2.038 0.526 0.920 1.000 1.000 CB 1.432 16 residues pruned to eliminate duplicates Z: 94 59.060 2.270 0.710 0.540 0.968 0.667 CB 1.567 94 residues pruned to eliminate duplicates Z: 26 19.186 2.051 0.800 0.445 0.840 0.720 CB 1.309 26 residues pruned to eliminate duplicates Z: 60 37.358 2.024 0.854 0.545 0.915 0.610 CB 1.354 42 residues pruned to eliminate duplicates Z: 45 39.642 2.256 0.689 0.591 0.909 0.591 CB 1.581 45 residues pruned to eliminate duplicates Z: 15 19.830 1.982 0.691 0.584 0.929 0.714 CB 1.572 15 residues pruned to eliminate duplicates Z: 46 27.625 1.993 0.584 0.477 0.956 0.489 CB 1.398 46 residues pruned to eliminate duplicates Z: 7 9.474 1.843 0.969 0.580 0.833 0.500 CA 1.184 7 residues pruned to eliminate duplicates Z: 33 32.621 2.036 0.740 0.631 1.000 0.750 CB 1.439 33 residues pruned to eliminate duplicates Z: 19 17.663 2.179 0.590 0.416 0.944 0.667 CB 1.389 19 residues pruned to eliminate duplicates Z: 30 23.505 2.062 0.951 0.459 0.966 0.621 CB 1.171 20 residues pruned to eliminate duplicates Z: 32 35.102 2.080 0.775 0.636 1.000 0.839 CB 1.503 32 residues pruned to eliminate duplicates Z: 44 37.242 2.109 0.812 0.557 0.953 0.698 CB 1.475 44 residues pruned to eliminate duplicates Z: 6 8.755 1.618 0.606 0.658 1.000 0.600 C 1.301 Z: 26 21.522 2.084 0.931 0.408 0.880 0.640 CB 1.338 26 residues pruned to eliminate duplicates Z: 32 33.973 2.071 0.881 0.625 0.968 0.806 CB 1.438 32 residues pruned to eliminate duplicates Z: 17 25.721 1.948 0.677 0.920 1.000 0.875 CB 1.387 17 residues pruned to eliminate duplicates Z: 14 27.850 2.232 0.765 0.899 1.000 0.769 CB 1.402 14 residues pruned to eliminate duplicates Z: 28 28.040 2.174 0.883 0.503 0.926 0.704 CB 1.419 28 residues pruned to eliminate duplicates Z: 17 34.698 2.177 0.771 0.912 1.000 0.812 CB 1.594 17 residues pruned to eliminate duplicates Z: 10 18.350 1.973 0.937 0.619 0.889 0.778 CB 1.609 10 residues pruned to eliminate duplicates Z: 13 13.422 2.176 0.820 0.415 0.917 0.583 CB 1.166 13 residues pruned to eliminate duplicates Z: 17 23.398 2.217 1.023 0.515 0.812 0.688 CB 1.582 17 residues pruned to eliminate duplicates Z: 24 22.847 2.192 0.792 0.426 0.913 0.609 CB 1.435 24 residues pruned to eliminate duplicates Z: 14 24.388 2.000 0.652 0.903 1.000 0.923 CB 1.459 14 residues pruned to eliminate duplicates Z: 9 12.478 2.030 0.531 0.698 0.750 0.375 C 1.580 9 residues pruned to eliminate duplicates Z: 21 21.898 2.121 0.619 0.574 0.850 0.650 CB 1.562 21 residues pruned to eliminate duplicates Z: 9 8.723 2.036 0.435 0.380 0.875 0.500 CB 1.371 Z: 25 20.495 2.121 0.872 0.451 0.833 0.667 CB 1.329 25 residues pruned to eliminate duplicates Z: 34 44.446 2.287 0.859 0.601 0.970 0.788 CB 1.705 34 residues pruned to eliminate duplicates Z: 13 22.771 1.922 0.996 0.831 1.000 0.917 CB 1.287 13 residues pruned to eliminate duplicates Z: 15 19.734 1.824 0.813 0.851 1.000 0.714 CB 1.180 15 residues pruned to eliminate duplicates Z: 34 27.459 2.028 0.767 0.563 0.909 0.727 CB 1.380 34 residues pruned to eliminate duplicates Z: 14 23.941 1.960 0.901 0.849 1.000 0.769 CB 1.322 14 residues pruned to eliminate duplicates Z: 15 26.155 2.072 0.663 0.943 1.000 0.929 CA 1.406 15 residues pruned to eliminate duplicates Z: 92 62.859 2.293 0.801 0.557 0.967 0.670 CB 1.561 92 residues pruned to eliminate duplicates Z: 94 58.992 2.286 0.700 0.545 0.957 0.645 CB 1.574 94 residues pruned to eliminate duplicates Z: 15 23.134 2.164 0.643 0.930 0.929 0.429 CB 1.309 15 residues pruned to eliminate duplicates Z: 17 24.097 2.194 0.519 0.799 0.938 0.375 CB 1.483 17 residues pruned to eliminate duplicates Z: 13 34.927 2.332 1.135 0.882 0.917 0.833 CA 1.598 13 residues pruned to eliminate duplicates Z: 20 14.265 1.770 0.675 0.544 0.789 0.579 CB 1.340 20 residues pruned to eliminate duplicates Z: 14 19.188 1.916 0.630 0.883 1.000 0.846 CB 1.232 14 residues pruned to eliminate duplicates Z: 9 16.707 2.074 0.827 0.721 0.875 0.750 CB 1.459 9 residues pruned to eliminate duplicates Z: 33 26.338 2.007 0.619 0.611 0.938 0.688 CB 1.375 33 residues pruned to eliminate duplicates Z: 14 34.258 2.205 0.811 0.881 1.000 0.846 CB 1.723 14 residues pruned to eliminate duplicates Z: 16 20.418 1.980 0.464 0.896 0.933 0.867 CB 1.396 16 residues pruned to eliminate duplicates Z: 14 22.160 1.911 0.735 0.879 1.000 0.923 CB 1.344 14 residues pruned to eliminate duplicates Z: 15 32.334 2.176 1.024 0.847 0.929 0.786 CB 1.569 15 residues pruned to eliminate duplicates Z: 36 38.256 2.240 0.794 0.577 0.943 0.743 CB 1.584 36 residues pruned to eliminate duplicates Z: 14 21.663 1.948 0.838 0.843 1.000 0.846 CB 1.250 14 residues pruned to eliminate duplicates Z: 16 30.037 2.247 0.376 0.916 1.000 0.867 CA 1.771 16 residues pruned to eliminate duplicates Z: 15 36.978 2.280 0.839 0.940 0.929 0.714 CB 1.763 15 residues pruned to eliminate duplicates Z: 7 6.432 1.396 0.748 0.841 1.000 1.000 CB 0.802 7 residues pruned to eliminate duplicates Z: 58 39.847 2.096 0.821 0.538 0.912 0.579 CB 1.460 58 residues pruned to eliminate duplicates Z: 15 34.613 2.378 0.563 0.918 1.000 0.857 CB 1.755 15 residues pruned to eliminate duplicates Z: 96 58.765 2.264 0.818 0.542 0.916 0.695 CB 1.536 96 residues pruned to eliminate duplicates Z: 14 24.672 1.936 0.961 0.883 1.000 1.000 CB 1.304 14 residues pruned to eliminate duplicates Z: 15 14.878 2.058 0.594 0.580 0.857 0.714 CB 1.310 15 residues pruned to eliminate duplicates Z: 28 27.813 2.239 0.924 0.476 0.963 0.704 CB 1.322 28 residues pruned to eliminate duplicates Z: 66 48.885 2.289 0.854 0.480 0.923 0.631 CB 1.579 66 residues pruned to eliminate duplicates Z: 16 22.234 1.959 0.622 0.907 0.933 0.800 CA 1.376 16 residues pruned to eliminate duplicates Z: 16 17.530 1.714 0.857 0.819 1.000 0.600 CB 1.078 16 residues pruned to eliminate duplicates Z: 37 17.598 2.034 0.621 0.335 0.861 0.583 CB 1.237 37 residues pruned to eliminate duplicates Z: 37 35.618 2.173 0.833 0.615 0.889 0.722 CB 1.503 37 residues pruned to eliminate duplicates Z: 32 26.215 2.172 0.602 0.527 0.871 0.710 CB 1.514 32 residues pruned to eliminate duplicates Z: 15 20.119 1.880 0.976 0.820 0.929 0.857 CB 1.181 15 residues pruned to eliminate duplicates Z: 37 38.231 2.175 0.846 0.574 0.944 0.694 CB 1.564 36 residues pruned to eliminate duplicates Z: 30 21.195 2.150 0.799 0.461 0.897 0.586 CB 1.181 30 residues pruned to eliminate duplicates Z: 6 7.102 1.801 0.726 0.541 1.000 0.600 CA 0.981 6 residues pruned to eliminate duplicates Z: 75 53.796 2.217 0.884 0.575 0.932 0.716 CB 1.494 75 residues pruned to eliminate duplicates Z: 36 30.272 2.194 0.572 0.510 0.943 0.600 CB 1.558 36 residues pruned to eliminate duplicates Z: 16 26.157 2.173 0.559 0.901 0.933 0.800 CB 1.526 16 residues pruned to eliminate duplicates Z: 66 47.484 2.223 0.827 0.496 0.908 0.615 CB 1.603 66 residues pruned to eliminate duplicates Z: 16 23.048 2.154 0.810 0.768 0.800 0.600 CB 1.504 16 residues pruned to eliminate duplicates Z: 25 21.760 2.072 0.704 0.440 0.958 0.625 CB 1.397 25 residues pruned to eliminate duplicates Z: 13 23.878 2.028 1.423 0.491 0.917 0.750 CB 1.545 13 residues pruned to eliminate duplicates Z: 67 39.906 2.091 0.771 0.499 0.924 0.606 CB 1.437 67 residues pruned to eliminate duplicates Z: 16 24.170 2.170 0.266 0.945 1.000 0.933 CB 1.572 16 residues pruned to eliminate duplicates Z: 14 16.980 1.992 1.049 0.441 0.769 0.769 C 1.595 14 residues pruned to eliminate duplicates Z: 14 22.309 2.006 0.763 0.896 0.923 0.385 CB 1.358 14 residues pruned to eliminate duplicates Z: 30 27.649 2.103 1.019 0.464 0.931 0.586 CB 1.347 30 residues pruned to eliminate duplicates Z: 59 43.024 2.248 0.726 0.509 0.879 0.586 CB 1.640 59 residues pruned to eliminate duplicates Z: 16 14.255 1.838 0.507 0.487 1.000 0.600 CB 1.346 16 residues pruned to eliminate duplicates Z: 14 29.258 2.186 0.626 0.888 1.000 0.769 CB 1.644 14 residues pruned to eliminate duplicates Z: 14 22.765 1.926 0.919 0.857 1.000 0.615 CB 1.259 14 residues pruned to eliminate duplicates Z: 6 6.466 1.706 0.654 0.637 0.800 0.600 CA 1.127 6 residues pruned to eliminate duplicates Z: 14 20.331 2.047 0.480 0.942 0.923 0.538 CB 1.398 14 residues pruned to eliminate duplicates Z: 76 60.203 2.313 0.905 0.548 0.920 0.573 CB 1.636 76 residues pruned to eliminate duplicates Z: 16 33.774 2.169 0.879 0.950 1.000 0.867 CB 1.476 16 residues pruned to eliminate duplicates Z: 15 33.572 2.036 1.010 0.856 1.000 0.857 CB 1.617 15 residues pruned to eliminate duplicates Z: 13 14.602 1.920 0.855 0.488 0.833 0.833 C 1.437 13 residues pruned to eliminate duplicates Z: 19 12.135 2.099 0.561 0.409 0.944 0.556 CB 1.017 19 residues pruned to eliminate duplicates Z: 24 23.192 2.181 0.702 0.469 0.957 0.609 CB 1.405 24 residues pruned to eliminate duplicates Z: 13 20.878 2.023 0.638 0.869 1.000 0.750 CB 1.329 13 residues pruned to eliminate duplicates Z: 37 34.179 2.163 0.696 0.553 0.944 0.694 CB 1.562 37 residues pruned to eliminate duplicates Z: 28 23.916 2.139 0.927 0.467 0.852 0.630 CB 1.356 28 residues pruned to eliminate duplicates Z: 15 23.307 1.795 1.188 0.847 1.000 0.571 CB 1.178 15 residues pruned to eliminate duplicates Z: 14 17.978 2.011 0.182 0.936 1.000 1.000 CA 1.461 14 residues pruned to eliminate duplicates Z: 52 38.783 2.222 0.775 0.503 0.882 0.608 CB 1.556 52 residues pruned to eliminate duplicates Z: 10 19.107 1.996 0.744 0.753 1.000 0.778 CB 1.461 14 residues pruned to eliminate duplicates Z: 21 9.554 1.709 0.372 0.311 0.900 0.550 CA 1.248 21 residues pruned to eliminate duplicates Z: 30 21.168 2.118 0.669 0.472 0.897 0.621 CB 1.276 30 residues pruned to eliminate duplicates Z: 16 26.198 2.014 0.908 0.911 0.933 0.600 CB 1.336 16 residues pruned to eliminate duplicates Z: 12 14.941 1.864 0.837 0.530 1.000 0.545 CB 1.277 12 residues pruned to eliminate duplicates Z: 15 20.390 1.866 0.946 0.835 0.929 0.857 CB 1.211 15 residues pruned to eliminate duplicates Z: 13 32.357 2.308 0.880 0.806 0.917 0.917 CB 1.799 13 residues pruned to eliminate duplicates Z: 17 37.307 2.208 0.815 0.906 1.000 0.750 CB 1.655 17 residues pruned to eliminate duplicates Z: 67 51.178 2.268 0.857 0.569 0.924 0.636 CB 1.513 67 residues pruned to eliminate duplicates Z: 22 32.456 2.376 0.869 0.537 0.952 0.619 CB 1.616 22 residues pruned to eliminate duplicates Z: 92 59.664 2.278 0.780 0.544 0.934 0.648 CB 1.582 92 residues pruned to eliminate duplicates Z: 16 30.040 2.347 0.538 0.907 0.933 0.933 CA 1.636 16 residues pruned to eliminate duplicates Z: 13 12.997 2.072 0.884 0.493 0.833 0.667 CB 1.161 13 residues pruned to eliminate duplicates Z: 23 32.571 2.163 0.894 0.688 0.909 0.682 CB 1.569 23 residues pruned to eliminate duplicates Z: 10 3.204 1.357 0.149 0.340 0.889 0.556 CB 0.918 Z: 15 20.666 2.048 0.538 0.895 0.929 0.714 CA 1.354 15 residues pruned to eliminate duplicates Z: 14 17.114 1.840 0.760 0.834 0.923 0.846 CB 1.190 14 residues pruned to eliminate duplicates Z: 13 15.033 1.858 0.688 0.566 0.917 0.750 CB 1.416 13 residues pruned to eliminate duplicates Z: 11 9.486 1.851 0.294 0.407 0.900 0.500 CB 1.534 15 residues pruned to eliminate duplicates Z: 60 39.269 2.067 0.845 0.532 0.864 0.627 CB 1.503 60 residues pruned to eliminate duplicates Z: 14 19.866 1.908 0.603 0.872 1.000 0.923 CB 1.312 14 residues pruned to eliminate duplicates Z: 36 20.923 1.987 0.768 0.409 0.914 0.686 CB 1.211 36 residues pruned to eliminate duplicates Z: 14 27.805 2.218 0.946 0.575 1.000 0.769 CA 1.662 14 residues pruned to eliminate duplicates Z: 44 45.340 2.262 0.836 0.564 0.977 0.628 CB 1.602 44 residues pruned to eliminate duplicates Z: 16 23.014 2.105 1.098 0.578 0.933 0.800 CB 1.337 16 residues pruned to eliminate duplicates Z: 92 61.408 2.258 0.837 0.549 0.945 0.703 CB 1.566 92 residues pruned to eliminate duplicates Z: 14 13.921 1.850 0.271 0.823 1.000 0.538 CB 1.241 14 residues pruned to eliminate duplicates Z: 13 13.253 1.766 0.374 0.893 1.000 1.000 CB 1.132 13 residues pruned to eliminate duplicates Z: 15 9.601 1.689 0.632 0.671 0.929 0.786 CB 0.856 Z: 42 40.737 2.194 0.773 0.577 0.902 0.537 CB 1.683 42 residues pruned to eliminate duplicates Z: 14 26.120 2.208 1.125 0.545 1.000 0.846 CB 1.478 14 residues pruned to eliminate duplicates Z: 13 18.046 2.147 0.682 0.522 0.917 0.583 CA 1.539 13 residues pruned to eliminate duplicates Z: 13 32.587 2.261 0.714 0.906 1.000 1.000 CB 1.726 13 residues pruned to eliminate duplicates Z: 19 19.636 2.269 0.833 0.315 0.833 0.500 CB 1.638 19 residues pruned to eliminate duplicates Z: 14 26.442 2.190 0.732 0.917 1.000 0.462 CB 1.365 14 residues pruned to eliminate duplicates Z: 67 52.347 2.256 0.904 0.503 0.939 0.652 CB 1.592 67 residues pruned to eliminate duplicates Z: 16 17.826 1.946 0.922 0.470 0.933 0.733 CB 1.359 16 residues pruned to eliminate duplicates Z: 15 22.373 1.824 0.907 0.873 1.000 0.786 CB 1.253 15 residues pruned to eliminate duplicates Z: 11 12.188 2.145 0.684 0.353 1.000 0.600 CB 1.251 11 residues pruned to eliminate duplicates Z: 10 13.135 1.862 0.986 0.733 0.889 0.889 CB 1.080 10 residues pruned to eliminate duplicates Z: 24 26.060 2.165 0.646 0.512 0.957 0.652 CB 1.576 24 residues pruned to eliminate duplicates Z: 61 53.287 2.301 0.735 0.537 0.967 0.600 CB 1.719 61 residues pruned to eliminate duplicates Z: 14 22.988 1.958 0.820 0.847 1.000 0.923 CB 1.328 14 residues pruned to eliminate duplicates Z: 45 33.002 2.075 0.630 0.531 0.955 0.568 CB 1.494 45 residues pruned to eliminate duplicates Z: 102 53.386 2.178 0.896 0.466 0.921 0.624 CB 1.446 102 residues pruned to eliminate duplicates Z: 48 45.650 2.256 0.837 0.501 0.979 0.745 CB 1.641 48 residues pruned to eliminate duplicates Z: 57 39.649 2.193 0.801 0.508 0.929 0.714 CB 1.434 57 residues pruned to eliminate duplicates Z: 12 12.034 1.935 0.329 0.570 0.909 0.818 CA 1.450 12 residues pruned to eliminate duplicates Z: 42 43.726 2.328 0.741 0.601 0.927 0.683 CB 1.651 42 residues pruned to eliminate duplicates Z: 26 17.189 1.915 0.861 0.482 0.800 0.560 CB 1.229 26 residues pruned to eliminate duplicates Z: 24 24.977 2.139 0.808 0.480 1.000 0.826 CB 1.375 24 residues pruned to eliminate duplicates Z: 14 16.904 1.864 0.563 0.857 0.923 0.846 CB 1.285 14 residues pruned to eliminate duplicates Z: 19 19.926 2.168 0.603 0.385 0.889 0.611 CB 1.717 20 residues pruned to eliminate duplicates Z: 13 20.679 2.037 0.583 0.874 1.000 0.833 CB 1.348 13 residues pruned to eliminate duplicates Z: 13 21.676 1.896 0.983 0.834 1.000 0.833 CB 1.248 13 residues pruned to eliminate duplicates Z: 21 16.954 1.908 0.778 0.415 0.850 0.550 CB 1.436 21 residues pruned to eliminate duplicates Z: 22 25.718 2.214 0.772 0.401 0.952 0.714 CB 1.666 22 residues pruned to eliminate duplicates Z: 21 22.967 2.051 1.009 0.487 0.900 0.700 CB 1.403 21 residues pruned to eliminate duplicates Z: 15 36.070 2.160 1.040 0.835 1.000 0.571 CA 1.640 15 residues pruned to eliminate duplicates Z: 30 23.029 2.093 0.734 0.494 0.897 0.690 CB 1.322 33 residues pruned to eliminate duplicates Z: 82 59.479 2.284 0.767 0.571 0.975 0.679 CB 1.568 82 residues pruned to eliminate duplicates Z: 11 23.391 2.078 0.774 0.769 1.000 1.000 CB 1.581 12 residues pruned to eliminate duplicates Z: 7 7.999 1.630 0.323 0.704 1.000 0.833 C 1.257 7 residues pruned to eliminate duplicates Z: 14 19.470 1.887 0.911 0.810 0.923 0.692 CB 1.238 14 residues pruned to eliminate duplicates Z: 14 17.222 2.171 0.496 0.489 1.000 0.769 CB 1.487 14 residues pruned to eliminate duplicates Z: 11 9.342 1.828 0.518 0.580 0.800 0.700 CA 1.233 11 residues pruned to eliminate duplicates Z: 48 42.160 2.262 0.634 0.588 0.894 0.596 CB 1.712 48 residues pruned to eliminate duplicates Z: 29 26.451 2.145 0.981 0.479 0.821 0.643 CB 1.462 29 residues pruned to eliminate duplicates Z: 70 59.582 2.327 0.858 0.550 0.957 0.681 CB 1.652 70 residues pruned to eliminate duplicates Z: 22 17.883 2.080 0.808 0.423 0.857 0.619 CB 1.311 22 residues pruned to eliminate duplicates Z: 24 26.087 2.162 0.896 0.491 0.957 0.652 CB 1.401 24 residues pruned to eliminate duplicates Z: 27 17.971 1.984 1.019 0.404 0.846 0.500 CB 1.150 27 residues pruned to eliminate duplicates Z: 42 36.245 2.044 0.853 0.593 0.927 0.634 CA 1.475 42 residues pruned to eliminate duplicates Z: 17 23.606 2.162 0.977 0.533 0.938 0.688 CB 1.426 17 residues pruned to eliminate duplicates Z: 8 2.586 1.500 0.059 0.318 0.857 0.571 CB 0.878 8 residues pruned to eliminate duplicates Z: 62 54.168 2.250 0.829 0.541 0.951 0.656 CB 1.703 62 residues pruned to eliminate duplicates Z: 21 24.981 2.164 0.999 0.488 0.850 0.700 CB 1.537 21 residues pruned to eliminate duplicates Z: 17 33.305 2.317 0.803 0.843 0.875 0.750 CB 1.696 17 residues pruned to eliminate duplicates Z: 6 2.356 1.585 0.718 0.564 0.800 0.600 CB 0.455 Z: 16 22.389 1.971 0.764 0.926 0.933 0.733 CB 1.249 16 residues pruned to eliminate duplicates Z: 57 40.464 2.272 0.684 0.473 0.946 0.625 CB 1.535 57 residues pruned to eliminate duplicates Z: 19 23.089 2.072 1.105 0.460 0.889 0.722 CB 1.461 19 residues pruned to eliminate duplicates Z: 7 2.734 1.703 0.557 0.384 0.667 0.500 CB 0.714 6 residues pruned to eliminate duplicates 7 1.241 1.159 0.179 0.688 1.000 0.667 CB 0.312 ? Z: 10 12.228 1.956 0.829 0.539 0.778 0.556 CB 1.411 10 residues pruned to eliminate duplicates Z: 45 41.958 2.149 0.843 0.600 0.932 0.705 CB 1.558 45 residues pruned to eliminate duplicates Z: 15 12.558 1.926 0.397 0.448 0.929 0.643 CB 1.417 15 residues pruned to eliminate duplicates Z: 6 2.888 1.496 0.657 0.576 0.800 0.600 CB 0.605 Z: 32 33.457 2.080 0.771 0.630 1.000 0.806 CB 1.444 32 residues pruned to eliminate duplicates Z: 10 3.835 1.442 0.693 0.259 0.778 0.444 CB 0.888 10 residues pruned to eliminate duplicates Z: 6 3.574 1.585 0.806 0.659 0.800 0.400 CB 0.602 Z: 32 28.934 2.066 0.671 0.614 0.968 0.774 CB 1.397 32 residues pruned to eliminate duplicates Z: 20 18.463 2.120 0.718 0.403 0.895 0.526 CB 1.439 20 residues pruned to eliminate duplicates Z: 24 24.035 2.037 0.830 0.515 1.000 0.783 CB 1.325 24 residues pruned to eliminate duplicates Z: 62 43.464 2.163 0.659 0.519 0.918 0.639 CB 1.658 62 residues pruned to eliminate duplicates Z: 54 45.524 2.305 0.725 0.532 0.925 0.623 CB 1.648 54 residues pruned to eliminate duplicates Z: 9 5.860 1.418 0.700 0.676 1.000 0.875 N 0.731 Z: 80 63.374 2.274 0.936 0.525 0.949 0.696 CB 1.664 80 residues pruned to eliminate duplicates Z: 18 18.360 1.952 1.057 0.430 0.882 0.647 CB 1.351 18 residues pruned to eliminate duplicates Z: 30 21.971 2.089 0.868 0.464 0.862 0.586 CB 1.258 28 residues pruned to eliminate duplicates Z: 27 35.360 2.226 0.736 0.649 1.000 0.654 CB 1.562 27 residues pruned to eliminate duplicates Z: 16 19.072 2.029 1.142 0.432 0.867 0.667 CB 1.403 16 residues pruned to eliminate duplicates Z: 62 49.052 2.325 0.719 0.518 0.934 0.607 CB 1.651 62 residues pruned to eliminate duplicates 6 1.393 1.262 0.838 0.429 0.600 0.600 N 0.482 ? Z: 21 22.869 2.073 0.822 0.407 0.900 0.700 CB 1.659 21 residues pruned to eliminate duplicates Z: 8 3.713 1.500 0.168 0.696 0.857 0.714 CB 0.781 Z: 23 34.244 2.214 0.844 0.656 0.955 0.864 CB 1.620 23 residues pruned to eliminate duplicates Z: 59 39.018 2.105 0.942 0.501 0.845 0.517 CB 1.481 59 residues pruned to eliminate duplicates Z: 6 6.092 1.667 0.596 0.508 0.800 0.800 CB 1.270 6 residues pruned to eliminate duplicates Z: 23 25.452 2.086 0.837 0.541 0.909 0.545 CA 1.496 23 residues pruned to eliminate duplicates Z: 17 29.602 2.148 0.732 0.892 1.000 0.875 CB 1.429 17 residues pruned to eliminate duplicates Z: 14 12.884 1.934 0.369 0.555 0.846 0.769 CB 1.512 14 residues pruned to eliminate duplicates Z: 25 27.600 2.197 0.952 0.501 0.917 0.750 CB 1.432 25 residues pruned to eliminate duplicates Z: 15 17.249 2.046 0.403 0.499 1.000 0.643 CB 1.608 15 residues pruned to eliminate duplicates Z: 61 52.592 2.326 0.826 0.558 0.933 0.667 CB 1.619 61 residues pruned to eliminate duplicates Z: 12 16.695 1.945 0.562 0.913 1.000 1.000 CB 1.173 12 residues pruned to eliminate duplicates Z: 9 5.200 1.630 0.528 0.400 0.750 0.500 CB 1.093 9 residues pruned to eliminate duplicates Z: 50 35.389 2.083 0.821 0.503 0.939 0.633 CB 1.416 50 residues pruned to eliminate duplicates Z: 40 23.622 1.999 0.806 0.464 0.795 0.590 CB 1.368 40 residues pruned to eliminate duplicates Z: 14 9.210 1.813 0.834 0.481 0.769 0.615 CB 1.018 14 residues pruned to eliminate duplicates Z: 50 35.177 2.016 0.919 0.508 0.878 0.633 CB 1.469 50 residues pruned to eliminate duplicates Z: 43 35.168 2.047 0.891 0.563 0.952 0.667 CB 1.385 43 residues pruned to eliminate duplicates Z: 16 15.519 1.860 0.632 0.622 0.933 0.667 CB 1.261 16 residues pruned to eliminate duplicates Z: 7 4.646 1.653 0.014 0.613 0.833 0.833 CB 1.221 8 residues pruned to eliminate duplicates Z: 31 30.231 2.037 0.696 0.629 1.000 0.733 CB 1.415 31 residues pruned to eliminate duplicates Z: 58 48.181 2.338 0.732 0.517 0.912 0.649 CB 1.699 58 residues pruned to eliminate duplicates Z: 9 21.113 2.333 0.825 0.639 0.875 0.875 CA 1.760 9 residues pruned to eliminate duplicates Z: 14 4.351 1.530 0.013 0.469 0.846 0.615 CB 0.949 9 residues pruned to eliminate duplicates Z: 21 20.713 2.088 0.951 0.383 0.800 0.500 CB 1.609 21 residues pruned to eliminate duplicates Z: 10 15.745 2.098 0.702 0.605 1.000 0.889 CB 1.330 10 residues pruned to eliminate duplicates Z: 7 3.316 1.337 0.160 0.499 1.000 0.833 CA 0.874 8 1.905 1.571 -0.116 0.396 1.000 0.286 CB 0.579 ? Z: 45 39.737 2.214 0.727 0.525 0.909 0.636 CB 1.682 45 residues pruned to eliminate duplicates Z: 10 8.758 1.908 0.434 0.626 0.889 0.667 CB 1.066 10 residues pruned to eliminate duplicates Z: 18 27.193 2.175 0.740 0.682 0.941 0.824 CB 1.567 18 residues pruned to eliminate duplicates Z: 32 35.876 2.050 0.885 0.650 1.000 0.806 CB 1.449 32 residues pruned to eliminate duplicates Z: 15 6.193 1.755 0.077 0.361 0.786 0.429 CB 1.295 15 residues pruned to eliminate duplicates Z: 16 14.335 1.841 0.395 0.686 0.933 0.733 CB 1.302 16 residues pruned to eliminate duplicates Z: 16 19.099 2.161 0.883 0.534 0.867 0.733 CB 1.353 16 residues pruned to eliminate duplicates Z: 11 10.471 1.751 0.414 0.659 0.900 0.700 CB 1.282 11 residues pruned to eliminate duplicates Z: 12 10.525 1.777 0.865 0.423 1.000 0.364 CB 1.037 12 residues pruned to eliminate duplicates Z: 38 34.880 2.184 0.655 0.529 0.973 0.649 CA 1.585 38 residues pruned to eliminate duplicates Z: 10 5.441 1.709 0.526 0.377 0.667 0.667 CB 1.190 10 residues pruned to eliminate duplicates Z: 13 17.958 1.889 0.593 0.844 1.000 0.750 CA 1.282 13 residues pruned to eliminate duplicates Z: 35 40.506 2.206 0.989 0.571 0.912 0.676 CB 1.621 35 residues pruned to eliminate duplicates Z: 16 35.113 2.271 0.831 0.902 1.000 0.800 CB 1.555 16 residues pruned to eliminate duplicates Z: 29 19.923 1.935 0.806 0.421 0.893 0.321 CB 1.310 29 residues pruned to eliminate duplicates Z: 12 19.293 2.008 0.595 0.919 0.909 0.818 CA 1.408 12 residues pruned to eliminate duplicates Z: 9 10.043 1.743 0.850 0.571 1.000 0.750 CA 1.029 Z: 11 8.876 1.861 0.540 0.307 1.000 0.300 CB 1.214 11 residues pruned to eliminate duplicates Z: 16 32.182 2.186 0.847 0.904 1.000 0.733 CB 1.465 16 residues pruned to eliminate duplicates Z: 14 4.548 1.671 0.514 0.259 0.692 0.462 CB 0.948 14 residues pruned to eliminate duplicates Z: 6 3.370 1.444 0.214 0.580 0.800 0.600 C 0.995 6 residues pruned to eliminate duplicates Z: 22 24.406 1.941 0.753 0.581 1.000 0.667 CB 1.447 22 residues pruned to eliminate duplicates Z: 9 13.300 1.865 0.750 0.617 0.875 0.875 CA 1.475 9 residues pruned to eliminate duplicates Z: 48 40.839 2.070 0.836 0.567 0.979 0.638 CA 1.501 57 residues pruned to eliminate duplicates Z: 15 28.167 2.276 0.508 0.919 1.000 0.857 CB 1.546 15 residues pruned to eliminate duplicates Z: 78 55.000 2.285 0.741 0.556 0.948 0.662 CB 1.574 78 residues pruned to eliminate duplicates Z: 6 8.498 1.691 0.440 0.840 1.000 1.000 CA 1.165 6 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 9 10.925 1.892 0.438 0.550 0.875 0.500 CB 1.545 9 residues pruned to eliminate duplicates Z: 25 17.043 1.955 0.640 0.490 0.875 0.583 CB 1.252 25 residues pruned to eliminate duplicates Z: 11 7.267 1.707 0.375 0.393 1.000 0.800 CB 1.096 11 residues pruned to eliminate duplicates Z: 12 12.966 1.959 0.925 0.422 0.909 0.727 CB 1.237 12 residues pruned to eliminate duplicates Z: 17 11.800 1.845 0.539 0.415 0.875 0.562 CB 1.297 17 residues pruned to eliminate duplicates Z: 14 20.049 2.142 0.903 0.610 0.846 0.692 CB 1.452 14 residues pruned to eliminate duplicates Z: 10 22.559 2.162 1.093 0.734 0.889 0.889 CB 1.515 10 residues pruned to eliminate duplicates Z: 6 9.097 1.933 1.170 0.327 1.000 0.600 CB 1.173 6 residues pruned to eliminate duplicates Z: 14 19.163 2.107 0.805 0.596 0.923 0.769 CB 1.381 13 residues pruned to eliminate duplicates Z: 6 3.897 1.729 0.420 0.233 1.000 0.800 CA 0.969 6 residues pruned to eliminate duplicates Z: 46 47.590 2.251 0.945 0.558 0.933 0.756 CB 1.641 46 residues pruned to eliminate duplicates Z: 35 41.980 2.258 0.767 0.618 0.971 0.735 CB 1.663 35 residues pruned to eliminate duplicates Z: 36 39.131 2.238 0.748 0.566 0.943 0.743 CB 1.683 36 residues pruned to eliminate duplicates Z: 49 44.419 2.204 0.814 0.549 0.979 0.729 CB 1.561 49 residues pruned to eliminate duplicates Z: 34 43.787 2.299 0.788 0.624 0.970 0.727 CB 1.701 34 residues pruned to eliminate duplicates Z: 6 4.496 1.742 0.452 0.387 0.600 0.400 CA 1.494 6 residues pruned to eliminate duplicates Z: 36 39.176 2.248 0.804 0.580 0.943 0.771 CB 1.603 36 residues pruned to eliminate duplicates Z: 35 37.189 2.239 0.810 0.550 0.882 0.735 CB 1.699 35 residues pruned to eliminate duplicates Z: 35 41.419 2.280 0.889 0.606 0.912 0.735 CB 1.635 35 residues pruned to eliminate duplicates Z: 35 41.198 2.260 0.927 0.604 0.912 0.765 CB 1.612 35 residues pruned to eliminate duplicates Z: 35 44.847 2.302 0.911 0.572 0.971 0.794 CB 1.680 35 residues pruned to eliminate duplicates Z: 6 6.612 2.062 0.483 0.386 1.000 0.200 CA 1.091 6 residues pruned to eliminate duplicates Z: 35 42.201 2.252 0.867 0.597 0.941 0.706 CB 1.666 34 residues pruned to eliminate duplicates Z: 16 38.966 2.179 1.080 0.749 1.000 0.800 CB 1.778 16 residues pruned to eliminate duplicates Z: 35 42.644 2.265 0.917 0.573 0.971 0.765 CB 1.618 35 residues pruned to eliminate duplicates Z: 47 44.200 2.241 0.975 0.513 0.935 0.739 CB 1.555 47 residues pruned to eliminate duplicates Z: 49 45.715 2.235 0.969 0.539 0.938 0.708 CB 1.540 49 residues pruned to eliminate duplicates Z: 35 39.847 2.280 0.857 0.547 0.971 0.706 CB 1.589 35 residues pruned to eliminate duplicates Z: 36 37.413 2.242 0.853 0.529 0.886 0.743 CB 1.670 36 residues pruned to eliminate duplicates Z: 36 36.006 2.253 0.842 0.528 0.914 0.714 CB 1.560 36 residues pruned to eliminate duplicates Z: 36 40.114 2.240 0.955 0.539 0.943 0.771 CB 1.580 36 residues pruned to eliminate duplicates Z: 34 49.062 2.306 0.988 0.615 0.970 0.788 CB 1.723 34 residues pruned to eliminate duplicates Z: 36 33.428 2.110 0.877 0.503 0.886 0.629 CB 1.606 36 residues pruned to eliminate duplicates Z: 33 33.065 2.191 0.869 0.473 0.906 0.625 CB 1.618 33 residues pruned to eliminate duplicates Z: 33 34.017 2.180 0.841 0.465 0.906 0.625 CB 1.714 33 residues pruned to eliminate duplicates Z: 33 38.065 2.182 0.842 0.486 0.969 0.656 CA 1.753 33 residues pruned to eliminate duplicates Z: 20 13.423 1.852 0.878 0.359 0.895 0.368 CB 1.153 20 residues pruned to eliminate duplicates Z: 35 34.492 2.190 0.750 0.532 0.912 0.647 CB 1.640 35 residues pruned to eliminate duplicates Z: 99 56.446 2.229 0.747 0.521 0.929 0.571 CB 1.544 185 residues pruned to eliminate duplicates Z: 6 6.868 1.465 0.948 0.456 1.000 0.800 CB 1.126 6 residues pruned to eliminate duplicates Z: 50 40.525 2.198 0.865 0.541 0.939 0.694 CB 1.445 50 residues pruned to eliminate duplicates Z: 94 59.820 2.275 0.758 0.548 0.946 0.688 CB 1.564 94 residues pruned to eliminate duplicates Z: 116 64.236 2.258 0.866 0.534 0.930 0.678 CB 1.477 116 residues pruned to eliminate duplicates Z: 47 39.392 2.202 0.870 0.559 0.935 0.739 CB 1.425 47 residues pruned to eliminate duplicates Z: 45 40.526 2.183 0.981 0.537 0.909 0.636 CB 1.498 45 residues pruned to eliminate duplicates Z: 34 32.635 2.069 0.780 0.614 0.970 0.818 CB 1.428 34 residues pruned to eliminate duplicates Z: 114 57.173 2.208 0.801 0.514 0.912 0.619 CB 1.464 114 residues pruned to eliminate duplicates Z: 95 61.587 2.263 0.815 0.563 0.947 0.702 CB 1.536 95 residues pruned to eliminate duplicates Z: 93 61.482 2.302 0.821 0.550 0.935 0.685 CB 1.558 93 residues pruned to eliminate duplicates Z: 51 35.470 2.118 0.745 0.490 0.940 0.640 CB 1.459 51 residues pruned to eliminate duplicates Z: 85 48.656 2.234 0.695 0.496 0.929 0.571 CB 1.516 85 residues pruned to eliminate duplicates Z: 94 58.138 2.257 0.719 0.534 0.957 0.591 CB 1.570 94 residues pruned to eliminate duplicates Z: 33 26.682 2.072 0.734 0.600 0.938 0.750 CB 1.273 33 residues pruned to eliminate duplicates Z: 95 62.746 2.269 0.841 0.547 0.947 0.649 CB 1.562 95 residues pruned to eliminate duplicates Z: 93 60.388 2.294 0.777 0.532 0.935 0.641 CB 1.601 93 residues pruned to eliminate duplicates Z: 93 59.816 2.292 0.775 0.544 0.946 0.663 CB 1.553 93 residues pruned to eliminate duplicates Z: 94 59.326 2.269 0.796 0.530 0.935 0.624 CB 1.566 94 residues pruned to eliminate duplicates Z: 95 60.294 2.259 0.814 0.535 0.936 0.660 CB 1.566 95 residues pruned to eliminate duplicates Z: 55 40.537 2.113 0.960 0.469 0.944 0.667 CB 1.456 55 residues pruned to eliminate duplicates Z: 36 29.647 2.066 0.871 0.541 0.943 0.657 CB 1.321 36 residues pruned to eliminate duplicates Z: 123 62.758 2.223 0.804 0.533 0.926 0.648 CB 1.480 123 residues pruned to eliminate duplicates Z: 35 32.933 2.102 0.935 0.561 0.941 0.735 CB 1.390 35 residues pruned to eliminate duplicates Z: 122 66.910 2.231 0.848 0.528 0.942 0.727 CB 1.524 122 residues pruned to eliminate duplicates Z: 94 62.594 2.276 0.814 0.550 0.957 0.710 CB 1.565 94 residues pruned to eliminate duplicates Z: 95 59.100 2.278 0.801 0.530 0.936 0.649 CB 1.540 95 residues pruned to eliminate duplicates Z: 96 61.029 2.238 0.779 0.539 0.968 0.674 CB 1.563 96 residues pruned to eliminate duplicates Z: 91 57.062 2.252 0.788 0.494 0.933 0.656 CB 1.611 91 residues pruned to eliminate duplicates Z: 92 62.849 2.308 0.851 0.558 0.934 0.725 CB 1.561 92 residues pruned to eliminate duplicates Z: 66 49.180 2.267 0.796 0.498 0.938 0.615 CB 1.599 66 residues pruned to eliminate duplicates Z: 19 21.865 2.181 1.025 0.460 0.833 0.611 CB 1.459 19 residues pruned to eliminate duplicates Z: 94 60.718 2.285 0.788 0.546 0.935 0.677 CB 1.576 94 residues pruned to eliminate duplicates Z: 20 17.964 1.991 0.908 0.349 0.842 0.474 CB 1.517 20 residues pruned to eliminate duplicates Z: 50 35.410 2.130 0.806 0.418 0.939 0.612 CB 1.527 50 residues pruned to eliminate duplicates Z: 65 53.193 2.299 0.794 0.497 0.953 0.656 CB 1.697 65 residues pruned to eliminate duplicates Z: 63 44.968 2.344 0.642 0.507 0.887 0.645 CB 1.661 63 residues pruned to eliminate duplicates Z: 67 45.932 2.270 0.758 0.473 0.909 0.606 CB 1.601 67 residues pruned to eliminate duplicates Z: 73 54.049 2.294 0.815 0.536 0.917 0.639 CB 1.611 73 residues pruned to eliminate duplicates Z: 60 52.537 2.365 0.744 0.528 0.949 0.678 CB 1.700 60 residues pruned to eliminate duplicates Z: 69 58.446 2.345 0.897 0.521 0.956 0.676 CB 1.633 69 residues pruned to eliminate duplicates Z: 46 30.139 2.112 0.776 0.422 0.889 0.556 CB 1.462 46 residues pruned to eliminate duplicates Z: 74 50.749 2.281 0.742 0.503 0.904 0.616 CB 1.649 74 residues pruned to eliminate duplicates Z: 24 24.554 2.165 0.935 0.371 0.913 0.696 CB 1.537 24 residues pruned to eliminate duplicates Z: 61 54.468 2.377 0.816 0.538 0.967 0.650 CB 1.624 61 residues pruned to eliminate duplicates Z: 64 52.936 2.361 0.807 0.513 0.937 0.635 CB 1.648 64 residues pruned to eliminate duplicates Z: 93 62.221 2.275 0.840 0.576 0.924 0.728 CB 1.559 93 residues pruned to eliminate duplicates Z: 50 43.538 2.334 0.682 0.538 0.939 0.633 CB 1.625 50 residues pruned to eliminate duplicates Z: 95 61.569 2.267 0.823 0.541 0.947 0.745 CB 1.559 95 residues pruned to eliminate duplicates Z: 60 49.328 2.371 0.680 0.536 0.915 0.644 CB 1.701 60 residues pruned to eliminate duplicates Z: 47 45.236 2.376 0.709 0.541 0.935 0.674 CB 1.688 47 residues pruned to eliminate duplicates Z: 45 45.630 2.320 0.744 0.555 0.977 0.614 CB 1.649 45 residues pruned to eliminate duplicates Z: 64 51.105 2.341 0.762 0.510 0.952 0.587 CB 1.623 64 residues pruned to eliminate duplicates Z: 89 55.192 2.316 0.807 0.513 0.864 0.670 CB 1.607 89 residues pruned to eliminate duplicates Z: 61 49.498 2.361 0.767 0.534 0.883 0.617 CB 1.677 61 residues pruned to eliminate duplicates Z: 52 38.849 2.263 0.727 0.431 0.922 0.647 CB 1.622 52 residues pruned to eliminate duplicates Z: 47 44.692 2.337 0.760 0.535 0.935 0.696 CB 1.656 47 residues pruned to eliminate duplicates Z: 53 39.534 2.275 0.773 0.453 0.904 0.596 CB 1.578 53 residues pruned to eliminate duplicates Z: 44 42.732 2.320 0.679 0.573 0.953 0.698 CB 1.636 44 residues pruned to eliminate duplicates Z: 94 57.227 2.260 0.809 0.527 0.946 0.624 CB 1.493 94 residues pruned to eliminate duplicates Z: 72 52.591 2.287 0.818 0.534 0.930 0.662 CB 1.561 72 residues pruned to eliminate duplicates Z: 47 40.904 2.330 0.671 0.549 0.891 0.609 CB 1.658 47 residues pruned to eliminate duplicates Z: 94 64.734 2.278 0.874 0.550 0.957 0.667 CB 1.565 94 residues pruned to eliminate duplicates Z: 46 40.663 2.291 0.677 0.520 0.956 0.622 CB 1.620 46 residues pruned to eliminate duplicates Z: 65 54.638 2.318 0.935 0.522 0.922 0.547 CB 1.617 65 residues pruned to eliminate duplicates Z: 61 55.804 2.344 0.859 0.549 0.950 0.600 CB 1.660 61 residues pruned to eliminate duplicates Z: 61 52.236 2.348 0.869 0.550 0.883 0.633 CB 1.656 61 residues pruned to eliminate duplicates Z: 94 63.215 2.266 0.876 0.562 0.946 0.645 CB 1.534 94 residues pruned to eliminate duplicates Z: 61 54.845 2.368 0.886 0.547 0.917 0.617 CB 1.652 61 residues pruned to eliminate duplicates Z: 67 51.108 2.285 0.877 0.505 0.924 0.606 CB 1.579 67 residues pruned to eliminate duplicates Z: 67 49.319 2.268 0.799 0.503 0.924 0.652 CB 1.606 67 residues pruned to eliminate duplicates Z: 61 51.641 2.359 0.829 0.553 0.900 0.650 CB 1.631 61 residues pruned to eliminate duplicates Z: 49 40.737 2.303 0.763 0.547 0.896 0.562 CB 1.544 49 residues pruned to eliminate duplicates Z: 65 50.204 2.320 0.863 0.516 0.891 0.672 CB 1.605 65 residues pruned to eliminate duplicates Z: 47 40.750 2.293 0.764 0.552 0.891 0.565 CB 1.583 47 residues pruned to eliminate duplicates Z: 63 54.390 2.335 0.911 0.525 0.935 0.677 CB 1.614 63 residues pruned to eliminate duplicates Z: 94 61.169 2.269 0.887 0.550 0.925 0.677 CB 1.526 94 residues pruned to eliminate duplicates Z: 62 50.088 2.350 0.737 0.553 0.918 0.656 CB 1.626 62 residues pruned to eliminate duplicates Z: 94 58.857 2.270 0.823 0.534 0.925 0.699 CB 1.542 94 residues pruned to eliminate duplicates Z: 94 65.036 2.281 0.920 0.557 0.946 0.645 CB 1.539 94 residues pruned to eliminate duplicates Z: 45 45.657 2.338 0.790 0.573 0.932 0.636 CB 1.646 45 residues pruned to eliminate duplicates Z: 42 50.576 2.379 0.798 0.624 1.000 0.634 CB 1.643 42 residues pruned to eliminate duplicates Z: 64 54.450 2.361 0.863 0.517 0.937 0.635 CB 1.639 64 residues pruned to eliminate duplicates Z: 95 61.954 2.255 0.877 0.560 0.936 0.649 CB 1.521 95 residues pruned to eliminate duplicates Z: 14 26.621 2.457 0.766 0.749 0.846 0.538 CB 1.610 14 residues pruned to eliminate duplicates Z: 64 51.521 2.348 0.866 0.520 0.905 0.619 CB 1.605 64 residues pruned to eliminate duplicates Z: 49 44.039 2.307 0.784 0.550 0.917 0.625 CB 1.605 49 residues pruned to eliminate duplicates Z: 44 45.610 2.324 0.851 0.591 0.907 0.651 CB 1.633 44 residues pruned to eliminate duplicates Z: 50 52.915 2.375 0.874 0.609 0.918 0.735 CB 1.667 50 residues pruned to eliminate duplicates Z: 103 63.861 2.283 0.860 0.555 0.902 0.735 CB 1.565 103 residues pruned to eliminate duplicates Z: 11 24.782 2.165 1.089 0.578 1.000 0.700 CB 1.608 11 residues pruned to eliminate duplicates Z: 31 23.973 2.086 0.930 0.477 0.933 0.533 CB 1.193 31 residues pruned to eliminate duplicates Z: 11 15.055 2.070 0.881 0.576 0.800 0.800 CB 1.420 11 residues pruned to eliminate duplicates Z: 86 54.548 2.257 0.907 0.511 0.882 0.647 CB 1.541 86 residues pruned to eliminate duplicates Z: 122 66.126 2.250 0.885 0.528 0.917 0.702 CB 1.502 122 residues pruned to eliminate duplicates Z: 31 26.905 2.079 0.969 0.430 0.900 0.667 CB 1.434 31 residues pruned to eliminate duplicates Z: 117 70.298 2.240 0.986 0.542 0.948 0.655 CB 1.485 117 residues pruned to eliminate duplicates Z: 122 70.489 2.257 0.925 0.533 0.950 0.694 CB 1.502 122 residues pruned to eliminate duplicates Z: 29 26.194 2.118 0.911 0.459 0.929 0.643 CB 1.374 29 residues pruned to eliminate duplicates Z: 119 70.096 2.247 0.916 0.544 0.941 0.678 CB 1.526 134 residues pruned to eliminate duplicates Z: 9 8.815 1.699 0.609 0.418 0.875 0.625 CB 1.420 9 residues pruned to eliminate duplicates Z: 18 13.408 2.025 0.725 0.394 0.882 0.588 CB 1.181 18 residues pruned to eliminate duplicates Z: 29 29.924 2.152 1.152 0.506 0.929 0.607 CB 1.306 29 residues pruned to eliminate duplicates Z: 34 20.657 1.992 0.906 0.438 0.788 0.576 CB 1.281 34 residues pruned to eliminate duplicates Z: 31 19.082 2.011 0.855 0.373 0.833 0.467 CB 1.283 31 residues pruned to eliminate duplicates Z: 16 14.236 2.114 0.655 0.392 0.867 0.600 CB 1.360 16 residues pruned to eliminate duplicates Z: 20 14.971 1.999 0.783 0.385 0.842 0.579 CB 1.294 20 residues pruned to eliminate duplicates Z: 20 15.904 2.097 0.789 0.390 0.842 0.526 CB 1.298 20 residues pruned to eliminate duplicates Z: 32 22.702 2.010 0.643 0.444 0.935 0.613 CB 1.397 18 residues pruned to eliminate duplicates Z: 7 7.955 1.763 0.418 0.452 1.000 0.500 CB 1.364 7 residues pruned to eliminate duplicates Z: 15 18.214 1.974 0.566 0.526 1.000 0.857 CB 1.534 15 residues pruned to eliminate duplicates Z: 7 3.235 1.637 0.190 0.343 0.833 0.167 CB 0.965 7 residues pruned to eliminate duplicates Z: 16 19.526 1.921 0.721 0.573 1.000 0.667 CB 1.422 16 residues pruned to eliminate duplicates Z: 15 24.190 2.065 0.867 0.583 1.000 0.714 CB 1.548 15 residues pruned to eliminate duplicates Z: 6 3.357 1.640 0.903 0.299 0.800 0.400 CA 0.752 6 residues pruned to eliminate duplicates Z: 20 16.416 1.917 0.664 0.515 0.895 0.737 CB 1.301 20 residues pruned to eliminate duplicates Z: 15 18.326 1.984 0.853 0.532 0.929 0.643 CB 1.390 15 residues pruned to eliminate duplicates Z: 22 14.732 1.843 0.572 0.526 0.905 0.762 CB 1.195 22 residues pruned to eliminate duplicates Z: 15 23.710 2.016 0.892 0.654 1.000 0.714 CB 1.440 16 residues pruned to eliminate duplicates Z: 6 4.361 1.605 0.955 0.281 0.800 0.600 CA 0.994 6 residues pruned to eliminate duplicates Z: 94 60.498 2.224 0.791 0.557 0.925 0.699 CB 1.612 94 residues pruned to eliminate duplicates Z: 33 33.046 2.044 0.776 0.597 1.000 0.844 CB 1.467 33 residues pruned to eliminate duplicates Z: 94 63.461 2.226 0.851 0.556 0.946 0.742 CB 1.598 94 residues pruned to eliminate duplicates Z: 33 30.363 2.029 0.844 0.602 0.938 0.719 CB 1.388 33 residues pruned to eliminate duplicates Z: 32 33.085 2.089 0.741 0.623 1.000 0.806 CB 1.454 32 residues pruned to eliminate duplicates Z: 33 31.897 2.048 0.759 0.617 0.969 0.781 CB 1.447 33 residues pruned to eliminate duplicates Z: 33 32.847 2.044 0.860 0.592 1.000 0.719 CB 1.399 33 residues pruned to eliminate duplicates Z: 32 33.705 2.083 0.792 0.599 1.000 0.645 CB 1.475 32 residues pruned to eliminate duplicates Z: 16 23.732 1.939 0.731 0.729 1.000 0.867 CB 1.486 16 residues pruned to eliminate duplicates Z: 34 30.845 2.037 0.806 0.563 1.000 0.758 CB 1.374 34 residues pruned to eliminate duplicates Z: 32 33.176 2.085 0.908 0.595 0.935 0.742 CB 1.463 32 residues pruned to eliminate duplicates Z: 32 31.366 2.090 0.880 0.601 0.935 0.806 CB 1.393 32 residues pruned to eliminate duplicates Z: 20 24.641 1.972 0.977 0.643 0.947 0.737 CB 1.339 20 residues pruned to eliminate duplicates Z: 32 30.258 2.084 0.840 0.593 0.903 0.774 CB 1.436 32 residues pruned to eliminate duplicates Z: 34 28.547 2.035 0.829 0.531 0.909 0.667 CB 1.424 34 residues pruned to eliminate duplicates Z: 33 32.912 2.019 0.946 0.579 0.969 0.719 CB 1.417 33 residues pruned to eliminate duplicates Z: 32 31.689 2.087 0.852 0.593 0.935 0.677 CB 1.440 32 residues pruned to eliminate duplicates Z: 32 35.731 2.087 0.956 0.621 0.968 0.742 CB 1.449 32 residues pruned to eliminate duplicates Z: 14 19.607 1.846 0.704 0.835 1.000 0.846 CB 1.295 14 residues pruned to eliminate duplicates Z: 94 62.677 2.219 0.851 0.549 0.946 0.710 CB 1.594 94 residues pruned to eliminate duplicates Z: 31 34.572 2.100 0.829 0.621 1.000 0.700 CB 1.466 31 residues pruned to eliminate duplicates Z: 33 34.612 2.048 0.925 0.594 1.000 0.812 CB 1.419 33 residues pruned to eliminate duplicates Z: 32 35.336 2.087 0.890 0.614 1.000 0.710 CB 1.444 32 residues pruned to eliminate duplicates Z: 34 29.346 2.029 0.871 0.551 0.970 0.758 CB 1.320 34 residues pruned to eliminate duplicates Z: 49 44.860 2.319 0.725 0.563 0.896 0.646 CB 1.701 49 residues pruned to eliminate duplicates Z: 61 55.569 2.303 0.852 0.558 0.933 0.700 CB 1.702 61 residues pruned to eliminate duplicates Z: 61 51.752 2.301 0.817 0.524 0.917 0.650 CB 1.702 61 residues pruned to eliminate duplicates Z: 44 39.301 2.276 0.707 0.461 0.953 0.744 CA 1.684 44 residues pruned to eliminate duplicates Z: 24 29.611 2.179 0.855 0.412 1.000 0.609 CB 1.675 24 residues pruned to eliminate duplicates Z: 60 52.714 2.302 0.778 0.541 0.915 0.661 CB 1.760 60 residues pruned to eliminate duplicates Z: 48 40.544 2.254 0.764 0.478 0.894 0.660 CB 1.702 48 residues pruned to eliminate duplicates Z: 60 50.536 2.303 0.742 0.540 0.881 0.644 CA 1.789 60 residues pruned to eliminate duplicates Z: 47 33.473 2.232 0.573 0.479 0.891 0.630 CB 1.611 47 residues pruned to eliminate duplicates Z: 59 49.862 2.275 0.832 0.509 0.914 0.638 CB 1.705 59 residues pruned to eliminate duplicates Z: 64 51.664 2.274 0.806 0.516 0.937 0.698 CB 1.666 64 residues pruned to eliminate duplicates Z: 62 53.400 2.310 0.841 0.551 0.902 0.689 CB 1.697 62 residues pruned to eliminate duplicates Z: 47 38.148 2.230 0.809 0.576 0.826 0.652 CB 1.568 47 residues pruned to eliminate duplicates Z: 47 45.845 2.260 0.813 0.517 0.957 0.630 CB 1.696 47 residues pruned to eliminate duplicates Z: 48 40.258 2.249 0.733 0.499 0.894 0.660 CB 1.688 48 residues pruned to eliminate duplicates Z: 48 43.586 2.272 0.777 0.519 0.915 0.702 CB 1.689 48 residues pruned to eliminate duplicates Z: 61 52.177 2.291 0.816 0.547 0.900 0.600 CB 1.718 61 residues pruned to eliminate duplicates Z: 62 55.587 2.310 0.865 0.546 0.918 0.672 CB 1.720 62 residues pruned to eliminate duplicates Z: 61 53.507 2.309 0.783 0.552 0.917 0.550 CB 1.740 61 residues pruned to eliminate duplicates Z: 33 29.391 2.126 0.763 0.482 0.906 0.656 CB 1.558 33 residues pruned to eliminate duplicates Z: 61 51.592 2.307 0.768 0.554 0.917 0.683 CB 1.690 61 residues pruned to eliminate duplicates Z: 47 44.822 2.277 0.720 0.519 0.978 0.652 CB 1.693 47 residues pruned to eliminate duplicates Z: 60 49.136 2.298 0.749 0.540 0.898 0.644 CB 1.703 60 residues pruned to eliminate duplicates Z: 60 61.843 2.317 0.981 0.561 0.966 0.610 CB 1.712 60 residues pruned to eliminate duplicates Z: 30 29.723 2.234 0.649 0.538 0.931 0.586 CB 1.551 30 residues pruned to eliminate duplicates Z: 60 54.604 2.320 0.801 0.559 0.915 0.644 CB 1.755 60 residues pruned to eliminate duplicates Z: 45 42.811 2.251 0.777 0.565 0.909 0.591 CB 1.665 45 residues pruned to eliminate duplicates Z: 47 36.077 2.221 0.813 0.471 0.848 0.500 CB 1.604 47 residues pruned to eliminate duplicates Z: 48 46.085 2.280 0.889 0.571 0.894 0.553 CB 1.632 48 residues pruned to eliminate duplicates Z: 60 57.441 2.318 0.896 0.591 0.915 0.627 CB 1.704 60 residues pruned to eliminate duplicates Z: 61 53.358 2.294 0.853 0.556 0.933 0.700 CB 1.644 61 residues pruned to eliminate duplicates Z: 73 62.603 2.315 0.999 0.552 0.903 0.722 CB 1.679 73 residues pruned to eliminate duplicates Z: 45 43.484 2.182 0.904 0.566 0.932 0.614 CB 1.588 45 residues pruned to eliminate duplicates Z: 61 56.527 2.302 0.869 0.562 0.917 0.683 CB 1.743 61 residues pruned to eliminate duplicates Z: 60 57.985 2.330 0.881 0.574 0.915 0.661 CB 1.752 60 residues pruned to eliminate duplicates Z: 48 40.600 2.236 0.691 0.554 0.936 0.532 CB 1.587 48 residues pruned to eliminate duplicates Z: 14 31.951 2.323 0.835 0.792 0.923 0.769 CB 1.743 14 residues pruned to eliminate duplicates Z: 68 46.684 2.186 0.854 0.518 0.896 0.657 CB 1.544 68 residues pruned to eliminate duplicates Z: 60 59.918 2.333 0.922 0.557 0.932 0.661 CB 1.765 60 residues pruned to eliminate duplicates Z: 48 42.359 2.224 0.873 0.551 0.915 0.574 CB 1.543 48 residues pruned to eliminate duplicates Z: 61 60.882 2.305 0.951 0.571 0.950 0.683 CB 1.717 61 residues pruned to eliminate duplicates Z: 40 47.840 2.330 0.885 0.635 0.897 0.667 CB 1.712 40 residues pruned to eliminate duplicates Z: 121 64.711 2.202 0.804 0.516 0.950 0.617 CB 1.541 121 residues pruned to eliminate duplicates Z: 43 45.014 2.267 0.838 0.586 0.929 0.619 CB 1.653 43 residues pruned to eliminate duplicates Z: 60 55.247 2.293 0.998 0.574 0.915 0.661 CB 1.598 60 residues pruned to eliminate duplicates Z: 60 59.798 2.333 0.875 0.564 0.949 0.678 CB 1.763 60 residues pruned to eliminate duplicates Z: 117 68.845 2.229 0.920 0.533 0.948 0.664 CB 1.524 117 residues pruned to eliminate duplicates Z: 73 48.986 2.277 0.790 0.538 0.889 0.556 CB 1.535 73 residues pruned to eliminate duplicates Z: 6 8.352 1.690 1.265 0.362 1.000 0.400 CA 1.131 6 residues pruned to eliminate duplicates Z: 19 19.194 2.120 0.877 0.464 0.833 0.667 CB 1.415 19 residues pruned to eliminate duplicates Z: 18 19.135 2.222 0.884 0.471 0.824 0.588 CB 1.387 18 residues pruned to eliminate duplicates Z: 17 20.398 2.290 0.762 0.504 0.875 0.750 CB 1.439 17 residues pruned to eliminate duplicates Z: 23 25.984 2.298 0.882 0.503 0.909 0.818 CB 1.405 28 residues pruned to eliminate duplicates Z: 6 4.081 1.457 0.471 0.279 1.000 0.600 C 1.093 6 residues pruned to eliminate duplicates Z: 19 20.121 2.165 0.695 0.497 0.944 0.667 CB 1.372 19 residues pruned to eliminate duplicates Z: 28 23.232 2.110 0.872 0.455 0.926 0.667 CB 1.280 26 residues pruned to eliminate duplicates Z: 9 3.444 1.585 0.056 0.462 0.875 0.875 CB 0.864 9 residues pruned to eliminate duplicates Z: 20 13.054 2.061 0.801 0.367 0.842 0.579 CB 1.105 16 residues pruned to eliminate duplicates Z: 6 6.646 2.196 0.486 0.170 1.000 0.600 CB 1.360 6 residues pruned to eliminate duplicates Z: 30 26.512 2.176 0.840 0.465 1.000 0.483 CB 1.275 31 residues pruned to eliminate duplicates Z: 6 7.723 1.684 0.936 0.389 1.000 0.600 C 1.192 6 residues pruned to eliminate duplicates Z: 112 61.398 2.174 0.868 0.529 0.919 0.649 CB 1.517 94 residues pruned to eliminate duplicates Z: 6 2.702 1.790 0.513 0.222 0.600 0.000 CA 1.029 6 residues pruned to eliminate duplicates Z: 35 22.138 2.113 0.674 0.422 0.882 0.618 CB 1.319 46 residues pruned to eliminate duplicates Z: 6 8.966 1.686 1.289 0.460 1.000 0.600 CA 1.083 6 residues pruned to eliminate duplicates Z: 10 16.260 2.009 0.726 0.704 0.889 0.778 CB 1.460 10 residues pruned to eliminate duplicates Z: 11 17.407 1.973 0.790 0.681 1.000 0.800 CB 1.321 11 residues pruned to eliminate duplicates Z: 19 18.338 2.005 0.895 0.576 0.778 0.722 CB 1.360 30 residues pruned to eliminate duplicates Z: 10 12.383 2.000 0.777 0.569 0.778 0.778 CB 1.396 Z: 6 3.853 1.645 0.452 0.415 0.800 0.600 CB 0.986 6 residues pruned to eliminate duplicates Z: 46 39.361 2.269 0.684 0.493 0.889 0.689 CB 1.740 46 residues pruned to eliminate duplicates Z: 61 52.534 2.268 0.817 0.544 0.933 0.667 CB 1.688 61 residues pruned to eliminate duplicates Z: 60 50.750 2.305 0.752 0.536 0.898 0.644 CB 1.758 60 residues pruned to eliminate duplicates Z: 46 39.537 2.260 0.767 0.473 0.911 0.622 CB 1.664 46 residues pruned to eliminate duplicates Z: 61 53.388 2.289 0.784 0.551 0.933 0.667 CB 1.721 61 residues pruned to eliminate duplicates Z: 61 47.383 2.297 0.738 0.533 0.867 0.600 CB 1.712 61 residues pruned to eliminate duplicates Z: 58 52.970 2.288 0.896 0.494 0.947 0.702 CB 1.717 58 residues pruned to eliminate duplicates Z: 6 2.620 1.385 0.088 0.561 0.800 0.600 CB 0.917 Z: 16 33.263 2.243 0.907 0.755 1.000 0.667 CB 1.600 Z: 16 29.425 2.187 0.931 0.714 0.933 0.533 CA 1.588 16 residues pruned to eliminate duplicates Z: 67 40.675 2.074 0.791 0.496 0.939 0.621 CB 1.441 83 residues pruned to eliminate duplicates Z: 43 33.268 1.985 0.913 0.527 0.905 0.667 CA 1.454 Z: 13 39.094 2.404 1.111 0.863 1.000 0.833 CA 1.632 20 residues pruned to eliminate duplicates Z: 11 47.629 2.571 1.310 0.926 1.000 0.900 CA 1.778 11 residues pruned to eliminate duplicates Z: 14 35.337 2.285 1.162 0.858 0.923 0.923 CA 1.583 14 residues pruned to eliminate duplicates Z: 42 37.588 2.098 0.839 0.609 0.927 0.659 CA 1.480 37 residues pruned to eliminate duplicates Z: 14 33.261 2.259 1.121 0.858 0.923 0.692 CA 1.536 14 residues pruned to eliminate duplicates Z: 66 42.732 2.086 0.796 0.520 0.908 0.677 CA 1.528 42 residues pruned to eliminate duplicates Z: 14 39.002 2.290 1.264 0.850 0.923 0.846 CA 1.675 13 residues pruned to eliminate duplicates Z: 12 34.953 2.369 1.117 0.828 0.909 0.909 CA 1.741 12 residues pruned to eliminate duplicates Z: 68 46.054 2.141 0.886 0.547 0.910 0.672 CB 1.461 43 residues pruned to eliminate duplicates Z: 16 31.924 2.276 1.123 0.700 0.867 0.600 CA 1.640 16 residues pruned to eliminate duplicates Z: 92 55.269 2.181 0.889 0.464 0.912 0.626 CB 1.600 183 residues pruned to eliminate duplicates Z: 83 44.300 2.171 0.840 0.427 0.878 0.610 CB 1.504 83 residues pruned to eliminate duplicates Z: 30 22.796 2.072 0.826 0.397 0.897 0.586 CB 1.391 17 residues pruned to eliminate duplicates Z: 6 5.957 1.587 0.676 0.395 1.000 0.800 C 1.119 6 residues pruned to eliminate duplicates Z: 19 23.445 2.196 0.958 0.482 0.944 0.556 CB 1.385 19 residues pruned to eliminate duplicates Z: 27 24.919 2.174 0.794 0.465 0.962 0.615 CB 1.350 27 residues pruned to eliminate duplicates Z: 67 48.759 2.124 0.920 0.532 0.939 0.697 CB 1.518 24 residues pruned to eliminate duplicates Z: 8 9.386 1.859 0.727 0.339 1.000 0.429 CA 1.316 8 residues pruned to eliminate duplicates Z: 26 26.879 2.096 1.092 0.492 1.000 0.560 CB 1.235 26 residues pruned to eliminate duplicates Z: 84 52.156 2.121 0.948 0.514 0.940 0.663 CB 1.454 67 residues pruned to eliminate duplicates 378 residues left after pruning, divided into chains as follows: A: 7 B: 15 C: 110 D: 8 E: 81 F: 157 CC for partial structure against native data = 40.46 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.455, Connect. = 0.735 for dens.mod. cycle 1 = 0.300, Contrast = 0.524, Connect. = 0.761 for dens.mod. cycle 2 = 0.300, Contrast = 0.630, Connect. = 0.789 for dens.mod. cycle 3 = 0.300, Contrast = 0.639, Connect. = 0.792 for dens.mod. cycle 4 = 0.300, Contrast = 0.652, Connect. = 0.794 for dens.mod. cycle 5 = 0.300, Contrast = 0.658, Connect. = 0.796 for dens.mod. cycle 6 = 0.300, Contrast = 0.665, Connect. = 0.797 for dens.mod. cycle 7 = 0.300, Contrast = 0.668, Connect. = 0.799 for dens.mod. cycle 8 = 0.300, Contrast = 0.672, Connect. = 0.799 for dens.mod. cycle 9 = 0.300, Contrast = 0.674, Connect. = 0.800 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2416 peaks > 0.5 sigma used to seed fragment search Space for about 500 unique residues taking solvent into account 543 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 35.232 2.396 0.998 0.923 0.909 0.909 CA 1.716 B: 13 20.954 2.231 0.510 0.702 0.917 0.583 CB 1.629 C: 14 28.048 2.086 0.916 0.807 0.923 0.923 CA 1.614 14 residues pruned to eliminate duplicates D: 11 29.201 2.518 0.623 0.842 0.900 0.800 CB 1.870 13 residues pruned to eliminate duplicates E: 10 30.649 2.461 0.704 0.919 1.000 0.889 CB 1.716 11 residues pruned to eliminate duplicates F: 14 37.547 2.203 0.998 0.828 1.000 0.692 CB 1.782 12 residues pruned to eliminate duplicates G: 17 14.786 1.730 0.672 0.538 1.000 0.938 CB 1.232 H: 14 34.392 2.189 0.942 0.874 1.000 0.846 CB 1.633 I: 16 32.006 2.251 0.554 0.936 1.000 0.867 CB 1.645 J: 12 28.501 2.264 0.700 0.833 1.000 0.818 CA 1.675 10 residues pruned to eliminate duplicates K: 14 34.519 2.220 0.796 0.897 0.923 0.923 CB 1.862 14 residues pruned to eliminate duplicates L: 12 40.631 2.363 0.991 0.925 1.000 0.909 CA 1.827 13 residues pruned to eliminate duplicates M: 12 42.376 2.361 1.167 0.932 1.000 1.000 CA 1.744 12 residues pruned to eliminate duplicates N: 10 14.950 2.114 0.688 0.721 0.778 0.778 CB 1.471 O: 12 29.990 2.495 0.736 0.884 0.909 0.818 CA 1.660 P: 16 29.465 2.026 1.058 0.854 0.933 0.800 CB 1.444 16 residues pruned to eliminate duplicates Q: 16 27.554 2.221 0.415 0.943 1.000 0.867 CA 1.568 R: 15 34.347 2.331 0.769 0.925 0.929 0.714 CA 1.683 15 residues pruned to eliminate duplicates S: 16 38.792 2.288 0.705 0.931 1.000 0.733 CB 1.794 16 residues pruned to eliminate duplicates T: 17 15.736 1.823 0.819 0.587 0.875 0.750 CB 1.247 17 residues pruned to eliminate duplicates U: 14 29.415 2.155 0.914 0.805 0.923 0.846 CA 1.641 14 residues pruned to eliminate duplicates V: 12 30.968 2.268 0.632 0.920 1.000 1.000 CB 1.776 12 residues pruned to eliminate duplicates W: 14 23.538 2.232 0.856 0.805 0.846 0.769 CB 1.427 14 residues pruned to eliminate duplicates X: 14 36.347 2.248 0.912 0.879 1.000 0.923 CA 1.700 12 residues pruned to eliminate duplicates Y: 14 33.452 2.272 0.942 0.848 0.923 0.923 CA 1.690 14 residues pruned to eliminate duplicates Z: 17 22.906 2.112 0.492 0.892 0.938 0.750 CB 1.393 Z: 16 30.652 2.237 0.553 0.929 1.000 0.933 CB 1.594 17 residues pruned to eliminate duplicates Z: 19 29.008 2.269 1.094 0.433 0.944 0.556 CB 1.634 Z: 73 47.687 2.232 0.798 0.489 0.875 0.597 CB 1.619 42 residues pruned to eliminate duplicates Z: 47 36.783 2.262 0.569 0.501 0.913 0.630 CB 1.672 47 residues pruned to eliminate duplicates Z: 13 26.952 2.280 0.874 0.826 0.917 0.833 CB 1.499 11 residues pruned to eliminate duplicates Z: 14 41.313 2.237 1.205 0.883 1.000 0.846 CB 1.680 14 residues pruned to eliminate duplicates Z: 16 35.987 2.315 0.544 0.933 1.000 0.667 CB 1.815 16 residues pruned to eliminate duplicates Z: 14 38.495 2.260 1.107 0.861 1.000 0.769 CA 1.648 14 residues pruned to eliminate duplicates Z: 83 57.712 2.281 0.856 0.538 0.915 0.732 CB 1.585 60 residues pruned to eliminate duplicates Z: 14 40.347 2.300 0.947 0.872 1.000 0.846 CB 1.822 15 residues pruned to eliminate duplicates Z: 17 31.782 2.242 0.636 0.896 0.938 0.812 CA 1.655 17 residues pruned to eliminate duplicates Z: 48 36.177 2.167 0.770 0.515 0.915 0.723 CB 1.482 16 residues pruned to eliminate duplicates Z: 10 27.311 2.388 0.639 0.919 1.000 0.889 CB 1.639 10 residues pruned to eliminate duplicates Z: 15 31.507 2.105 0.798 0.872 1.000 0.786 CB 1.623 15 residues pruned to eliminate duplicates Z: 15 35.447 2.147 0.980 0.874 1.000 0.929 CB 1.622 15 residues pruned to eliminate duplicates Z: 16 29.518 2.179 0.735 0.947 1.000 0.667 CB 1.393 16 residues pruned to eliminate duplicates Z: 31 38.481 2.292 0.978 0.610 0.867 0.600 CB 1.610 31 residues pruned to eliminate duplicates Z: 14 15.693 1.905 0.352 0.864 1.000 0.923 CB 1.239 Z: 14 42.224 2.239 1.234 0.869 1.000 0.846 CA 1.710 14 residues pruned to eliminate duplicates Z: 16 35.397 2.261 0.739 0.940 1.000 0.867 CA 1.614 16 residues pruned to eliminate duplicates Z: 10 19.318 2.170 0.787 0.731 0.889 0.778 CB 1.518 10 residues pruned to eliminate duplicates Z: 16 34.466 2.277 0.544 0.911 1.000 0.800 CB 1.794 16 residues pruned to eliminate duplicates Z: 10 12.957 1.970 0.782 0.682 0.778 0.667 CB 1.338 Z: 14 37.239 2.291 0.847 0.887 1.000 0.769 CB 1.759 14 residues pruned to eliminate duplicates Z: 14 35.904 2.234 1.181 0.894 0.923 0.923 CA 1.589 13 residues pruned to eliminate duplicates Z: 64 47.011 2.248 0.871 0.574 0.921 0.619 CB 1.425 64 residues pruned to eliminate duplicates Z: 14 24.171 2.057 0.732 0.617 1.000 0.769 CB 1.684 17 residues pruned to eliminate duplicates Z: 13 29.946 2.280 0.562 0.876 1.000 0.833 CB 1.764 13 residues pruned to eliminate duplicates Z: 16 28.808 2.050 0.903 0.804 0.933 0.600 CB 1.567 16 residues pruned to eliminate duplicates Z: 94 59.292 2.264 0.755 0.559 0.925 0.677 CB 1.579 82 residues pruned to eliminate duplicates Z: 15 33.690 2.322 0.582 0.935 1.000 0.571 CB 1.708 15 residues pruned to eliminate duplicates Z: 16 34.353 2.270 0.566 0.920 1.000 0.867 CB 1.758 16 residues pruned to eliminate duplicates Z: 24 30.247 2.187 1.176 0.468 1.000 0.565 CB 1.369 Z: 10 16.651 2.139 0.706 0.627 0.889 0.889 CB 1.518 10 residues pruned to eliminate duplicates Z: 13 33.958 2.392 0.934 0.847 0.917 0.833 CA 1.716 13 residues pruned to eliminate duplicates Z: 16 28.123 2.331 0.292 0.931 1.000 0.867 CA 1.686 16 residues pruned to eliminate duplicates Z: 14 39.344 2.273 0.894 0.891 1.000 0.923 CB 1.822 14 residues pruned to eliminate duplicates Z: 32 22.439 1.910 0.692 0.360 0.935 0.484 CB 1.550 46 residues pruned to eliminate duplicates Z: 15 34.752 2.399 0.560 0.945 1.000 0.929 CB 1.718 15 residues pruned to eliminate duplicates Z: 64 52.209 2.323 0.778 0.520 0.937 0.587 CB 1.667 65 residues pruned to eliminate duplicates Z: 22 28.048 2.235 1.053 0.492 0.905 0.619 CB 1.486 22 residues pruned to eliminate duplicates Z: 48 37.472 2.213 0.729 0.470 0.915 0.574 CA 1.609 27 residues pruned to eliminate duplicates Z: 16 32.320 2.257 0.496 0.899 1.000 0.933 CA 1.766 16 residues pruned to eliminate duplicates Z: 23 22.779 2.219 0.820 0.453 0.909 0.727 CB 1.389 23 residues pruned to eliminate duplicates Z: 60 51.400 2.296 0.807 0.559 0.898 0.678 CB 1.696 60 residues pruned to eliminate duplicates Z: 28 21.703 2.147 0.682 0.476 0.889 0.741 CB 1.333 23 residues pruned to eliminate duplicates Z: 60 50.409 2.306 0.675 0.565 0.932 0.678 CB 1.711 60 residues pruned to eliminate duplicates Z: 17 22.722 2.148 0.489 0.905 0.875 0.812 CB 1.444 17 residues pruned to eliminate duplicates Z: 20 9.714 1.900 0.757 0.264 0.789 0.632 CB 1.107 17 residues pruned to eliminate duplicates Z: 16 41.899 2.273 0.919 0.933 1.000 0.867 CA 1.731 16 residues pruned to eliminate duplicates Z: 17 23.080 2.091 0.375 0.938 1.000 0.812 CB 1.395 17 residues pruned to eliminate duplicates Z: 13 19.803 1.984 0.698 0.626 1.000 0.833 CB 1.507 Z: 10 15.868 2.019 0.686 0.722 0.889 0.889 CB 1.430 10 residues pruned to eliminate duplicates Z: 24 28.642 2.166 1.113 0.452 0.957 0.652 CB 1.433 25 residues pruned to eliminate duplicates Z: 24 22.050 2.155 0.769 0.369 0.870 0.565 CA 1.596 24 residues pruned to eliminate duplicates Z: 48 42.126 2.309 0.645 0.521 0.957 0.596 CB 1.656 48 residues pruned to eliminate duplicates Z: 19 22.388 2.011 0.805 0.474 1.000 0.611 CB 1.493 4 residues pruned to eliminate duplicates Z: 17 30.693 2.231 0.660 0.837 0.938 0.750 CB 1.653 17 residues pruned to eliminate duplicates Z: 18 29.908 2.206 0.678 0.827 0.941 0.765 CB 1.569 18 residues pruned to eliminate duplicates Z: 93 56.039 2.266 0.738 0.544 0.902 0.696 CB 1.575 93 residues pruned to eliminate duplicates Z: 16 30.542 2.186 0.688 0.881 1.000 0.733 CB 1.547 16 residues pruned to eliminate duplicates Z: 16 31.689 2.000 1.226 0.819 0.933 0.800 CB 1.493 16 residues pruned to eliminate duplicates Z: 22 18.247 2.025 0.659 0.374 0.857 0.619 CB 1.583 21 residues pruned to eliminate duplicates Z: 15 22.954 2.141 0.402 0.908 1.000 0.786 CB 1.451 15 residues pruned to eliminate duplicates Z: 10 14.137 1.789 0.753 0.575 1.000 0.778 CA 1.398 10 residues pruned to eliminate duplicates Z: 33 29.455 2.157 0.594 0.591 0.969 0.719 CB 1.433 33 residues pruned to eliminate duplicates Z: 12 36.393 2.303 1.104 0.900 1.000 1.000 CB 1.618 12 residues pruned to eliminate duplicates Z: 9 26.475 2.348 0.895 0.821 1.000 1.000 CB 1.592 9 residues pruned to eliminate duplicates Z: 61 51.044 2.241 0.871 0.564 0.900 0.650 CB 1.640 61 residues pruned to eliminate duplicates Z: 78 44.936 2.123 0.657 0.510 0.935 0.623 CB 1.541 61 residues pruned to eliminate duplicates Z: 16 28.836 2.196 0.657 0.910 0.933 0.667 CB 1.555 16 residues pruned to eliminate duplicates Z: 95 67.529 2.258 0.802 0.563 0.968 0.628 CB 1.665 93 residues pruned to eliminate duplicates Z: 27 29.086 2.214 0.700 0.491 1.000 0.654 CB 1.530 27 residues pruned to eliminate duplicates Z: 36 29.981 1.931 0.809 0.573 0.943 0.714 CB 1.435 36 residues pruned to eliminate duplicates Z: 16 23.975 2.197 0.469 0.905 0.933 0.733 CB 1.462 16 residues pruned to eliminate duplicates Z: 16 32.923 2.311 0.487 0.915 1.000 0.867 CB 1.749 16 residues pruned to eliminate duplicates Z: 15 33.707 2.119 0.924 0.878 1.000 0.857 CB 1.604 15 residues pruned to eliminate duplicates Z: 37 34.970 2.158 0.627 0.568 0.944 0.750 CB 1.646 37 residues pruned to eliminate duplicates Z: 46 40.218 2.196 0.939 0.487 0.889 0.667 CB 1.605 46 residues pruned to eliminate duplicates Z: 16 29.879 2.181 0.584 0.934 1.000 0.933 CB 1.557 16 residues pruned to eliminate duplicates Z: 62 49.855 2.228 0.782 0.549 0.918 0.623 CB 1.669 62 residues pruned to eliminate duplicates Z: 14 36.595 2.225 1.283 0.880 0.923 0.769 CA 1.569 15 residues pruned to eliminate duplicates Z: 34 25.134 2.077 0.662 0.567 0.909 0.727 CB 1.307 34 residues pruned to eliminate duplicates Z: 15 20.602 2.098 0.776 0.511 1.000 0.857 CB 1.462 Z: 35 42.225 2.236 0.812 0.583 1.000 0.794 CB 1.651 35 residues pruned to eliminate duplicates Z: 12 19.443 2.256 0.340 0.875 0.909 0.909 CB 1.551 12 residues pruned to eliminate duplicates Z: 17 25.260 2.208 0.237 0.927 1.000 0.938 CB 1.620 17 residues pruned to eliminate duplicates Z: 84 51.288 2.207 0.732 0.493 0.904 0.675 CB 1.641 84 residues pruned to eliminate duplicates Z: 93 54.737 2.267 0.699 0.548 0.913 0.707 CB 1.549 93 residues pruned to eliminate duplicates Z: 13 22.146 2.271 0.774 0.634 1.000 0.833 CB 1.399 14 residues pruned to eliminate duplicates Z: 94 56.418 2.187 0.743 0.541 0.914 0.667 CB 1.613 93 residues pruned to eliminate duplicates Z: 16 22.218 2.023 0.726 0.798 0.867 0.800 CB 1.461 16 residues pruned to eliminate duplicates Z: 15 30.576 2.128 0.728 0.872 1.000 0.714 CB 1.619 15 residues pruned to eliminate duplicates Z: 61 48.845 2.250 0.774 0.551 0.900 0.683 CA 1.670 61 residues pruned to eliminate duplicates Z: 58 46.165 2.191 0.881 0.556 0.947 0.632 CB 1.483 59 residues pruned to eliminate duplicates Z: 11 11.674 1.686 0.721 0.629 0.900 0.800 CA 1.252 11 residues pruned to eliminate duplicates Z: 15 23.591 2.097 0.564 0.873 1.000 0.500 CB 1.401 15 residues pruned to eliminate duplicates Z: 10 18.683 2.001 0.951 0.590 0.889 0.778 CB 1.647 10 residues pruned to eliminate duplicates Z: 48 35.427 2.148 0.826 0.460 0.936 0.617 CB 1.466 24 residues pruned to eliminate duplicates Z: 46 39.710 2.215 0.784 0.489 0.933 0.556 CB 1.624 46 residues pruned to eliminate duplicates Z: 26 18.508 1.938 0.558 0.531 0.920 0.400 CB 1.292 26 residues pruned to eliminate duplicates Z: 16 22.501 2.197 0.655 0.563 0.933 0.800 CB 1.610 16 residues pruned to eliminate duplicates Z: 12 34.136 2.356 0.902 0.870 1.000 0.909 CB 1.675 12 residues pruned to eliminate duplicates Z: 17 15.119 2.183 0.577 0.520 0.812 0.625 CB 1.326 17 residues pruned to eliminate duplicates Z: 15 32.418 2.200 0.708 0.910 1.000 0.857 CA 1.636 15 residues pruned to eliminate duplicates Z: 17 21.658 2.109 0.379 0.925 0.938 0.875 CB 1.394 17 residues pruned to eliminate duplicates Z: 51 38.395 2.079 0.807 0.539 0.900 0.700 CB 1.546 56 residues pruned to eliminate duplicates Z: 51 48.174 2.241 0.878 0.584 0.920 0.660 CB 1.623 51 residues pruned to eliminate duplicates Z: 15 12.043 2.038 0.765 0.369 0.786 0.571 CB 1.311 16 residues pruned to eliminate duplicates Z: 16 33.042 2.243 0.852 0.925 0.933 0.667 CA 1.544 16 residues pruned to eliminate duplicates Z: 6 5.591 1.332 0.964 0.843 1.000 1.000 CB 0.712 6 residues pruned to eliminate duplicates Z: 82 52.335 2.214 0.803 0.538 0.914 0.691 CB 1.536 82 residues pruned to eliminate duplicates Z: 60 53.476 2.306 0.772 0.568 0.949 0.661 CB 1.681 60 residues pruned to eliminate duplicates Z: 46 35.215 2.140 0.780 0.542 0.933 0.667 CB 1.418 46 residues pruned to eliminate duplicates Z: 49 41.142 2.168 0.882 0.506 0.917 0.729 CB 1.579 49 residues pruned to eliminate duplicates Z: 15 16.806 1.991 0.581 0.663 0.929 0.714 CB 1.321 14 residues pruned to eliminate duplicates Z: 15 28.505 2.075 0.743 0.842 0.929 0.857 CB 1.690 15 residues pruned to eliminate duplicates Z: 15 20.502 1.945 0.687 0.666 0.929 0.929 CB 1.542 14 residues pruned to eliminate duplicates Z: 8 9.468 1.863 1.187 0.381 0.857 0.429 CB 1.163 Z: 17 18.033 2.129 0.782 0.521 0.875 0.625 CB 1.329 17 residues pruned to eliminate duplicates Z: 17 35.814 2.265 0.801 0.904 0.938 0.750 CB 1.668 17 residues pruned to eliminate duplicates Z: 16 31.558 2.228 0.706 0.925 0.933 0.533 CA 1.611 16 residues pruned to eliminate duplicates Z: 48 38.944 2.238 0.716 0.521 0.915 0.553 CB 1.583 48 residues pruned to eliminate duplicates Z: 10 14.304 1.909 0.563 0.796 1.000 0.889 CB 1.234 10 residues pruned to eliminate duplicates Z: 14 19.612 1.904 0.641 0.838 1.000 0.769 CB 1.301 14 residues pruned to eliminate duplicates Z: 13 17.992 1.868 1.018 0.737 0.833 0.583 CB 1.337 13 residues pruned to eliminate duplicates Z: 6 2.991 1.515 0.678 0.289 0.800 0.600 N 0.834 6 residues pruned to eliminate duplicates Z: 43 34.582 2.188 0.668 0.558 0.881 0.643 CB 1.569 43 residues pruned to eliminate duplicates Z: 15 19.299 1.835 0.600 0.877 1.000 0.929 CB 1.276 15 residues pruned to eliminate duplicates Z: 47 37.909 2.260 0.835 0.515 0.804 0.522 CB 1.650 47 residues pruned to eliminate duplicates Z: 46 32.013 2.166 0.759 0.480 0.889 0.622 CB 1.437 36 residues pruned to eliminate duplicates Z: 15 21.027 2.357 -0.031 0.941 1.000 1.000 CB 1.708 15 residues pruned to eliminate duplicates Z: 9 5.777 1.571 0.257 0.572 0.875 0.625 CB 1.103 4 residues pruned to eliminate duplicates Z: 12 29.082 2.240 0.790 0.876 0.909 0.909 CB 1.748 12 residues pruned to eliminate duplicates Z: 14 31.209 2.065 1.003 0.925 1.000 0.692 CB 1.468 14 residues pruned to eliminate duplicates Z: 80 50.038 2.157 0.656 0.515 0.975 0.633 CB 1.593 80 residues pruned to eliminate duplicates Z: 17 30.578 2.122 0.703 0.901 0.938 0.812 CA 1.611 17 residues pruned to eliminate duplicates Z: 16 12.389 2.041 0.788 0.367 0.800 0.600 CB 1.263 16 residues pruned to eliminate duplicates Z: 32 28.866 2.132 0.628 0.631 0.968 0.710 CB 1.364 32 residues pruned to eliminate duplicates Z: 14 21.107 2.175 0.585 0.667 1.000 0.923 CB 1.455 14 residues pruned to eliminate duplicates Z: 94 56.066 2.248 0.651 0.549 0.935 0.645 CB 1.596 94 residues pruned to eliminate duplicates Z: 8 8.687 1.945 0.309 0.401 1.000 0.714 CB 1.431 8 residues pruned to eliminate duplicates Z: 16 18.854 2.197 0.579 0.518 0.933 0.600 CB 1.476 16 residues pruned to eliminate duplicates Z: 15 16.486 1.903 0.723 0.411 0.929 0.643 N 1.588 15 residues pruned to eliminate duplicates Z: 14 14.707 1.807 0.636 0.816 1.000 0.615 CB 1.049 14 residues pruned to eliminate duplicates Z: 95 53.548 2.236 0.684 0.548 0.936 0.691 CB 1.495 95 residues pruned to eliminate duplicates Z: 93 58.213 2.266 0.699 0.545 0.957 0.685 CB 1.578 93 residues pruned to eliminate duplicates Z: 92 64.075 2.273 0.807 0.552 0.934 0.637 CB 1.664 92 residues pruned to eliminate duplicates Z: 8 7.193 1.393 0.407 0.717 1.000 1.000 CA 1.140 8 residues pruned to eliminate duplicates Z: 16 15.890 1.881 0.664 0.549 0.867 0.667 CB 1.442 16 residues pruned to eliminate duplicates Z: 12 8.414 1.848 0.463 0.304 0.818 0.545 CB 1.426 12 residues pruned to eliminate duplicates Z: 21 18.780 2.148 0.633 0.455 0.900 0.600 CB 1.392 21 residues pruned to eliminate duplicates Z: 15 21.996 1.882 0.773 0.860 1.000 0.500 CB 1.296 15 residues pruned to eliminate duplicates Z: 47 42.051 2.251 0.790 0.581 0.870 0.565 CB 1.637 47 residues pruned to eliminate duplicates Z: 10 36.750 2.469 0.923 0.920 1.000 0.889 CB 1.816 10 residues pruned to eliminate duplicates Z: 11 15.849 2.037 0.818 0.580 0.900 0.700 CB 1.391 11 residues pruned to eliminate duplicates Z: 15 17.642 1.957 1.144 0.405 0.857 0.714 CB 1.448 15 residues pruned to eliminate duplicates Z: 6 5.447 1.413 0.286 0.822 1.000 1.000 CA 1.014 6 residues pruned to eliminate duplicates Z: 81 46.168 2.178 0.755 0.467 0.925 0.650 CB 1.511 81 residues pruned to eliminate duplicates Z: 64 49.042 2.319 0.739 0.498 0.937 0.683 CB 1.640 64 residues pruned to eliminate duplicates Z: 15 17.344 1.859 0.788 0.849 0.929 0.786 CB 1.114 15 residues pruned to eliminate duplicates Z: 95 63.237 2.246 0.807 0.540 0.936 0.670 CB 1.651 105 residues pruned to eliminate duplicates Z: 16 38.685 2.252 0.765 0.946 1.000 0.733 CB 1.738 16 residues pruned to eliminate duplicates Z: 14 14.470 1.928 0.245 0.816 1.000 0.692 CB 1.270 14 residues pruned to eliminate duplicates Z: 100 53.496 2.134 0.715 0.523 0.929 0.657 CB 1.545 100 residues pruned to eliminate duplicates Z: 10 18.723 2.182 0.914 0.638 0.889 0.889 CB 1.477 10 residues pruned to eliminate duplicates Z: 80 45.752 2.193 0.695 0.478 0.924 0.620 CB 1.532 80 residues pruned to eliminate duplicates Z: 59 49.970 2.295 0.722 0.539 0.931 0.638 CB 1.716 59 residues pruned to eliminate duplicates Z: 13 29.335 2.300 0.867 0.867 0.917 0.750 CB 1.574 13 residues pruned to eliminate duplicates Z: 16 26.986 2.240 0.302 0.923 1.000 1.000 CB 1.679 16 residues pruned to eliminate duplicates Z: 15 32.942 2.223 0.636 0.922 1.000 0.857 CA 1.702 15 residues pruned to eliminate duplicates Z: 48 39.255 2.150 0.799 0.522 0.957 0.681 CB 1.513 48 residues pruned to eliminate duplicates Z: 14 19.769 1.932 0.690 0.863 1.000 0.923 CB 1.232 14 residues pruned to eliminate duplicates Z: 6 2.391 1.829 -0.008 0.186 0.600 0.200 CB 1.432 6 residues pruned to eliminate duplicates Z: 36 25.681 2.017 0.693 0.566 0.914 0.686 CB 1.304 36 residues pruned to eliminate duplicates Z: 46 35.238 2.076 0.784 0.555 0.956 0.689 CB 1.406 46 residues pruned to eliminate duplicates Z: 10 15.309 2.009 0.806 0.767 0.889 0.889 CB 1.249 10 residues pruned to eliminate duplicates Z: 24 20.309 2.065 0.787 0.482 0.870 0.696 CB 1.343 24 residues pruned to eliminate duplicates Z: 16 29.964 2.169 0.636 0.896 1.000 0.867 CB 1.562 16 residues pruned to eliminate duplicates Z: 10 13.065 1.865 0.824 0.654 0.778 0.667 CB 1.426 10 residues pruned to eliminate duplicates Z: 93 59.965 2.195 0.749 0.558 0.957 0.750 CB 1.610 93 residues pruned to eliminate duplicates Z: 50 41.573 2.220 0.825 0.485 0.918 0.571 CB 1.621 50 residues pruned to eliminate duplicates Z: 17 18.484 1.991 0.721 0.465 1.000 0.625 CB 1.396 17 residues pruned to eliminate duplicates Z: 32 24.078 2.140 0.804 0.442 0.935 0.677 CB 1.272 27 residues pruned to eliminate duplicates Z: 16 26.458 2.140 0.579 0.896 0.933 0.800 CB 1.551 16 residues pruned to eliminate duplicates Z: 6 4.467 1.341 0.662 0.527 1.000 0.400 C 0.873 Z: 16 25.624 2.194 0.384 0.944 1.000 0.933 CB 1.509 16 residues pruned to eliminate duplicates Z: 9 16.620 2.033 1.068 0.676 0.875 0.875 CA 1.359 9 residues pruned to eliminate duplicates Z: 15 17.051 1.951 0.692 0.500 0.929 0.857 CB 1.487 15 residues pruned to eliminate duplicates Z: 13 17.699 1.932 1.063 0.506 0.917 0.917 CB 1.390 13 residues pruned to eliminate duplicates Z: 18 19.020 2.164 0.773 0.520 0.882 0.706 CB 1.336 18 residues pruned to eliminate duplicates Z: 16 30.421 2.201 0.729 0.922 1.000 0.800 CB 1.451 16 residues pruned to eliminate duplicates Z: 15 14.912 1.766 0.392 0.855 1.000 0.857 CB 1.197 15 residues pruned to eliminate duplicates Z: 33 34.478 2.210 0.734 0.573 0.938 0.750 CB 1.581 33 residues pruned to eliminate duplicates Z: 14 22.532 1.929 0.934 0.843 1.000 0.923 CB 1.247 14 residues pruned to eliminate duplicates Z: 11 9.205 1.845 0.340 0.497 1.000 0.700 CB 1.180 11 residues pruned to eliminate duplicates Z: 9 32.406 2.416 1.211 0.739 1.000 1.000 CB 1.731 9 residues pruned to eliminate duplicates Z: 10 7.208 1.918 0.229 0.391 0.889 0.333 CB 1.287 10 residues pruned to eliminate duplicates Z: 36 36.318 2.184 0.715 0.560 1.000 0.743 CB 1.547 36 residues pruned to eliminate duplicates Z: 20 10.921 1.918 0.693 0.318 0.842 0.474 CB 1.120 20 residues pruned to eliminate duplicates Z: 42 39.911 2.259 0.697 0.586 0.927 0.585 CB 1.614 42 residues pruned to eliminate duplicates Z: 32 30.710 2.101 0.714 0.634 1.000 0.806 CB 1.351 32 residues pruned to eliminate duplicates Z: 23 33.458 2.282 0.852 0.567 1.000 0.682 CB 1.582 23 residues pruned to eliminate duplicates Z: 94 56.632 2.244 0.744 0.549 0.957 0.710 CB 1.495 94 residues pruned to eliminate duplicates Z: 41 45.592 2.268 0.797 0.583 0.975 0.775 CB 1.675 41 residues pruned to eliminate duplicates Z: 15 33.272 2.386 0.446 0.931 1.000 1.000 CB 1.802 15 residues pruned to eliminate duplicates Z: 6 9.316 1.695 1.070 0.653 1.000 0.600 CB 1.030 Z: 14 35.433 2.359 0.753 0.935 0.923 0.692 CB 1.794 14 residues pruned to eliminate duplicates Z: 10 5.122 1.715 0.133 0.344 0.778 0.444 N 1.338 10 residues pruned to eliminate duplicates Z: 14 23.521 1.931 0.953 0.845 1.000 0.846 CB 1.285 14 residues pruned to eliminate duplicates Z: 14 21.452 1.921 0.827 0.863 1.000 0.538 CB 1.244 14 residues pruned to eliminate duplicates Z: 30 19.494 2.022 0.602 0.361 0.897 0.621 CB 1.448 30 residues pruned to eliminate duplicates Z: 17 25.368 2.101 0.455 0.927 1.000 0.750 CB 1.454 17 residues pruned to eliminate duplicates Z: 85 51.661 2.201 0.820 0.518 0.905 0.667 CB 1.529 85 residues pruned to eliminate duplicates Z: 12 14.183 1.897 0.289 0.932 1.000 1.000 CB 1.221 12 residues pruned to eliminate duplicates Z: 35 41.312 2.237 0.887 0.566 0.971 0.706 CB 1.622 35 residues pruned to eliminate duplicates Z: 14 17.813 1.870 0.845 0.827 0.923 0.769 CB 1.170 14 residues pruned to eliminate duplicates Z: 11 17.354 2.053 0.907 0.588 0.900 0.900 CB 1.431 11 residues pruned to eliminate duplicates Z: 15 16.006 2.131 0.797 0.367 0.857 0.643 CA 1.503 15 residues pruned to eliminate duplicates Z: 25 26.795 2.142 1.015 0.459 0.917 0.667 CB 1.442 25 residues pruned to eliminate duplicates Z: 15 26.183 2.130 0.527 0.869 1.000 0.786 CB 1.571 15 residues pruned to eliminate duplicates Z: 94 54.138 2.244 0.643 0.551 0.957 0.624 CB 1.514 94 residues pruned to eliminate duplicates Z: 14 13.978 1.811 0.397 0.869 1.000 0.923 CB 1.119 14 residues pruned to eliminate duplicates Z: 19 29.161 2.212 0.913 0.624 0.833 0.556 CA 1.734 19 residues pruned to eliminate duplicates Z: 60 46.717 2.292 0.674 0.523 0.915 0.610 CB 1.693 60 residues pruned to eliminate duplicates Z: 6 6.423 1.769 0.403 0.691 0.800 0.800 CB 1.214 6 residues pruned to eliminate duplicates Z: 13 28.542 2.279 0.857 0.829 1.000 0.667 CB 1.465 13 residues pruned to eliminate duplicates Z: 16 38.590 2.253 0.777 0.934 1.000 0.800 CB 1.737 16 residues pruned to eliminate duplicates Z: 22 26.963 2.121 0.818 0.586 0.905 0.762 CA 1.554 22 residues pruned to eliminate duplicates Z: 16 15.646 2.040 0.778 0.370 0.933 0.733 CB 1.371 16 residues pruned to eliminate duplicates Z: 20 22.963 2.066 0.697 0.543 0.947 0.632 CB 1.520 20 residues pruned to eliminate duplicates Z: 16 10.793 1.909 0.729 0.543 0.800 0.667 CB 1.012 16 residues pruned to eliminate duplicates Z: 15 14.794 2.024 0.833 0.638 0.786 0.714 CB 1.192 15 residues pruned to eliminate duplicates Z: 62 46.815 2.225 0.708 0.554 0.918 0.689 CB 1.629 62 residues pruned to eliminate duplicates Z: 11 12.517 1.978 0.666 0.578 0.900 0.600 CB 1.238 11 residues pruned to eliminate duplicates Z: 24 18.853 2.105 0.897 0.415 0.826 0.609 CB 1.303 24 residues pruned to eliminate duplicates Z: 14 15.913 2.126 0.479 0.526 0.923 0.615 CB 1.482 14 residues pruned to eliminate duplicates Z: 7 5.722 1.648 0.738 0.470 0.833 0.667 CA 1.009 7 residues pruned to eliminate duplicates Z: 24 19.595 2.081 0.618 0.457 0.957 0.783 CB 1.326 24 residues pruned to eliminate duplicates Z: 13 16.388 1.925 0.455 0.820 1.000 0.917 CB 1.279 13 residues pruned to eliminate duplicates Z: 11 9.380 1.687 0.832 0.441 0.900 0.700 CB 1.133 11 residues pruned to eliminate duplicates Z: 7 9.544 2.041 1.435 0.351 0.833 0.333 CB 1.105 7 residues pruned to eliminate duplicates Z: 101 58.384 2.206 0.886 0.511 0.940 0.640 CB 1.477 88 residues pruned to eliminate duplicates Z: 7 9.109 1.870 0.889 0.794 1.000 0.667 CB 0.814 Z: 6 8.575 1.644 0.599 0.700 1.000 0.800 CA 1.216 6 residues pruned to eliminate duplicates Z: 13 32.430 2.182 0.758 0.934 1.000 0.583 CA 1.702 13 residues pruned to eliminate duplicates Z: 36 32.049 2.114 0.688 0.516 0.971 0.714 CB 1.539 36 residues pruned to eliminate duplicates Z: 14 15.880 1.929 0.738 0.555 0.923 0.692 CB 1.350 14 residues pruned to eliminate duplicates Z: 21 13.131 2.067 0.755 0.420 0.700 0.550 CB 1.258 21 residues pruned to eliminate duplicates Z: 13 38.861 2.356 1.245 0.858 0.917 0.917 CA 1.703 13 residues pruned to eliminate duplicates Z: 15 23.194 1.834 0.871 0.867 1.000 0.929 CB 1.322 15 residues pruned to eliminate duplicates Z: 14 19.574 1.899 0.756 0.826 0.923 0.692 CB 1.330 14 residues pruned to eliminate duplicates Z: 16 26.509 2.169 0.497 0.918 1.000 0.667 CB 1.487 16 residues pruned to eliminate duplicates Z: 71 47.006 2.198 0.683 0.511 0.929 0.571 CB 1.618 71 residues pruned to eliminate duplicates Z: 15 24.617 1.843 1.063 0.825 1.000 0.929 CB 1.306 15 residues pruned to eliminate duplicates Z: 13 27.326 2.234 0.872 0.825 0.917 0.833 CA 1.552 13 residues pruned to eliminate duplicates Z: 16 16.357 1.784 0.743 0.563 0.867 0.667 C 1.474 16 residues pruned to eliminate duplicates Z: 14 23.800 1.896 0.861 0.878 1.000 0.692 CB 1.358 14 residues pruned to eliminate duplicates Z: 16 21.485 2.183 0.206 0.915 1.000 0.933 CB 1.490 16 residues pruned to eliminate duplicates Z: 16 23.945 2.165 0.389 0.919 1.000 0.867 CB 1.449 16 residues pruned to eliminate duplicates Z: 7 3.878 1.594 0.384 0.481 0.667 0.500 CB 1.097 7 residues pruned to eliminate duplicates Z: 14 21.153 2.058 0.670 0.608 1.000 0.615 CB 1.541 14 residues pruned to eliminate duplicates Z: 47 40.887 2.196 0.783 0.543 0.957 0.630 CB 1.543 47 residues pruned to eliminate duplicates Z: 16 29.285 2.190 0.573 0.919 1.000 0.867 CB 1.546 16 residues pruned to eliminate duplicates Z: 6 3.426 1.816 0.187 0.265 0.800 0.800 CB 1.161 Z: 8 4.518 1.749 0.784 0.350 0.571 0.429 CB 1.126 8 residues pruned to eliminate duplicates Z: 26 24.266 2.241 0.894 0.391 0.800 0.600 CB 1.605 26 residues pruned to eliminate duplicates Z: 44 41.332 2.260 0.802 0.562 0.930 0.628 CA 1.566 44 residues pruned to eliminate duplicates Z: 29 37.744 2.180 0.873 0.565 0.964 0.786 CA 1.701 29 residues pruned to eliminate duplicates Z: 83 53.104 2.257 0.748 0.553 0.902 0.659 CB 1.564 83 residues pruned to eliminate duplicates Z: 15 15.266 2.001 0.917 0.345 0.857 0.714 CB 1.468 19 residues pruned to eliminate duplicates Z: 50 33.255 2.158 0.789 0.478 0.898 0.592 CB 1.401 50 residues pruned to eliminate duplicates Z: 42 43.458 2.298 0.675 0.610 0.951 0.732 CB 1.669 42 residues pruned to eliminate duplicates Z: 11 15.140 1.895 0.595 0.655 0.900 0.900 CB 1.523 11 residues pruned to eliminate duplicates Z: 11 15.787 1.763 0.792 0.690 1.000 0.900 CA 1.328 11 residues pruned to eliminate duplicates Z: 8 3.919 1.463 0.804 0.619 0.714 0.714 N 0.702 Z: 12 17.425 1.859 0.562 0.886 1.000 1.000 CB 1.306 12 residues pruned to eliminate duplicates Z: 10 10.657 1.796 0.723 0.627 0.778 0.778 CB 1.310 10 residues pruned to eliminate duplicates Z: 6 5.255 1.745 0.215 0.600 0.800 0.600 C 1.259 6 residues pruned to eliminate duplicates Z: 35 35.575 2.177 0.736 0.580 0.941 0.676 CB 1.588 35 residues pruned to eliminate duplicates Z: 52 46.487 2.187 0.728 0.572 1.000 0.569 CB 1.607 52 residues pruned to eliminate duplicates Z: 57 49.601 2.205 0.772 0.521 0.982 0.607 CA 1.693 57 residues pruned to eliminate duplicates Z: 48 40.782 2.337 0.557 0.566 0.936 0.702 CB 1.638 48 residues pruned to eliminate duplicates Z: 22 25.642 2.146 0.756 0.597 0.857 0.714 CA 1.580 22 residues pruned to eliminate duplicates Z: 77 53.316 2.280 0.708 0.545 0.921 0.658 CB 1.632 77 residues pruned to eliminate duplicates Z: 45 40.718 2.099 0.887 0.593 0.909 0.636 CB 1.560 59 residues pruned to eliminate duplicates Z: 26 24.106 2.087 0.981 0.421 0.920 0.600 CB 1.376 26 residues pruned to eliminate duplicates Z: 11 10.979 1.759 0.544 0.683 0.900 0.800 CB 1.201 11 residues pruned to eliminate duplicates Z: 25 27.244 2.080 0.850 0.533 0.917 0.542 CB 1.526 25 residues pruned to eliminate duplicates Z: 36 35.372 2.186 0.730 0.571 0.943 0.714 CB 1.566 36 residues pruned to eliminate duplicates Z: 15 15.432 2.092 0.659 0.313 0.857 0.643 CB 1.705 15 residues pruned to eliminate duplicates Z: 93 53.742 2.193 0.695 0.557 0.902 0.641 CB 1.580 93 residues pruned to eliminate duplicates Z: 54 44.500 2.209 0.857 0.515 0.943 0.736 CB 1.557 54 residues pruned to eliminate duplicates Z: 26 23.565 2.120 0.781 0.499 0.920 0.600 CA 1.358 26 residues pruned to eliminate duplicates Z: 70 46.964 2.282 0.710 0.506 0.884 0.652 CB 1.630 70 residues pruned to eliminate duplicates Z: 44 32.075 1.998 0.915 0.530 0.884 0.791 CB 1.404 44 residues pruned to eliminate duplicates Z: 8 4.660 1.679 0.439 0.392 0.714 0.571 CB 1.144 Z: 6 12.537 1.794 0.678 0.716 1.000 1.000 C 1.531 6 residues pruned to eliminate duplicates Z: 9 6.195 1.712 0.689 0.303 0.750 0.750 CB 1.259 9 residues pruned to eliminate duplicates Z: 49 33.916 2.115 0.701 0.511 0.958 0.604 CB 1.405 49 residues pruned to eliminate duplicates Z: 19 18.431 2.039 0.702 0.527 0.889 0.556 CB 1.372 19 residues pruned to eliminate duplicates Z: 50 39.913 2.295 0.614 0.539 0.939 0.673 CB 1.578 50 residues pruned to eliminate duplicates Z: 16 25.505 2.129 0.423 0.925 1.000 0.933 CB 1.525 16 residues pruned to eliminate duplicates Z: 31 31.484 2.080 0.758 0.553 1.000 0.700 CB 1.493 31 residues pruned to eliminate duplicates Z: 36 36.689 2.216 0.787 0.561 0.943 0.686 CB 1.565 36 residues pruned to eliminate duplicates Z: 6 2.351 1.144 0.390 0.644 0.800 0.600 CA 0.723 6 residues pruned to eliminate duplicates Z: 16 26.146 2.162 0.444 0.935 1.000 1.000 CB 1.507 16 residues pruned to eliminate duplicates Z: 6 2.584 1.343 0.862 0.682 0.800 0.800 CB 0.489 Z: 94 57.402 2.249 0.746 0.550 0.935 0.656 CB 1.544 94 residues pruned to eliminate duplicates Z: 109 53.627 2.211 0.713 0.512 0.898 0.657 CB 1.499 109 residues pruned to eliminate duplicates Z: 57 45.502 2.252 0.793 0.528 0.875 0.625 CB 1.674 57 residues pruned to eliminate duplicates Z: 36 30.169 2.180 0.587 0.516 0.943 0.657 CA 1.539 36 residues pruned to eliminate duplicates Z: 14 19.760 1.848 0.635 0.874 1.000 0.923 CB 1.320 14 residues pruned to eliminate duplicates Z: 22 30.480 2.240 1.096 0.491 0.952 0.762 CB 1.501 22 residues pruned to eliminate duplicates Z: 18 19.069 2.160 0.753 0.463 0.882 0.706 CB 1.437 21 residues pruned to eliminate duplicates Z: 16 13.443 2.129 0.631 0.474 0.800 0.600 CB 1.283 16 residues pruned to eliminate duplicates Z: 15 19.613 1.819 0.680 0.851 1.000 0.929 CB 1.269 15 residues pruned to eliminate duplicates Z: 14 22.281 1.920 0.744 0.858 1.000 0.692 CB 1.359 14 residues pruned to eliminate duplicates Z: 48 39.379 2.301 0.555 0.522 0.936 0.660 CB 1.678 48 residues pruned to eliminate duplicates Z: 9 5.519 1.689 0.111 0.693 0.750 0.375 CB 1.162 9 residues pruned to eliminate duplicates Z: 19 11.796 1.991 0.281 0.350 0.944 0.722 CB 1.359 19 residues pruned to eliminate duplicates Z: 62 48.434 2.279 0.829 0.518 0.902 0.574 CB 1.621 62 residues pruned to eliminate duplicates Z: 12 24.682 2.280 1.017 0.523 0.909 0.909 CA 1.740 12 residues pruned to eliminate duplicates Z: 16 22.767 2.102 0.532 0.932 1.000 0.733 CB 1.275 16 residues pruned to eliminate duplicates Z: 47 42.472 2.240 0.767 0.530 0.957 0.696 CB 1.605 47 residues pruned to eliminate duplicates Z: 14 19.746 1.904 0.687 0.853 1.000 0.846 CB 1.260 14 residues pruned to eliminate duplicates Z: 36 36.956 2.180 0.778 0.567 0.943 0.829 CB 1.602 36 residues pruned to eliminate duplicates Z: 62 46.900 2.293 0.737 0.509 0.902 0.639 CB 1.657 62 residues pruned to eliminate duplicates Z: 68 46.326 2.219 0.741 0.560 0.866 0.657 CB 1.596 68 residues pruned to eliminate duplicates Z: 25 18.767 1.985 0.859 0.352 0.917 0.417 CB 1.329 25 residues pruned to eliminate duplicates Z: 22 26.333 2.195 1.153 0.458 0.810 0.714 CB 1.568 22 residues pruned to eliminate duplicates Z: 42 40.171 2.208 0.869 0.558 0.927 0.683 CB 1.551 42 residues pruned to eliminate duplicates Z: 44 40.622 2.249 0.748 0.577 0.953 0.628 CB 1.536 44 residues pruned to eliminate duplicates Z: 8 13.048 2.019 0.822 0.706 0.857 0.857 CB 1.297 Z: 48 45.387 2.305 0.838 0.513 0.915 0.553 CB 1.685 48 residues pruned to eliminate duplicates Z: 26 30.850 2.208 1.088 0.586 0.920 0.760 CB 1.340 29 residues pruned to eliminate duplicates Z: 10 6.627 1.666 0.513 0.524 0.889 0.667 CB 0.963 6 residues pruned to eliminate duplicates Z: 21 32.556 2.237 0.822 0.663 0.950 0.900 CB 1.617 21 residues pruned to eliminate duplicates Z: 68 46.508 2.198 0.741 0.473 0.970 0.612 CB 1.573 68 residues pruned to eliminate duplicates Z: 61 54.172 2.332 0.784 0.563 0.950 0.650 CB 1.664 61 residues pruned to eliminate duplicates Z: 13 30.360 2.288 0.646 0.853 1.000 0.750 CB 1.720 13 residues pruned to eliminate duplicates Z: 41 33.876 2.102 0.837 0.584 0.925 0.750 CB 1.383 41 residues pruned to eliminate duplicates Z: 12 6.697 1.666 0.263 0.264 0.909 0.545 CB 1.382 8 residues pruned to eliminate duplicates Z: 17 27.112 2.201 0.582 0.839 0.938 0.812 CB 1.551 17 residues pruned to eliminate duplicates Z: 13 18.059 2.071 0.173 0.911 0.917 0.917 CB 1.659 13 residues pruned to eliminate duplicates Z: 37 35.321 2.197 0.760 0.583 0.861 0.611 CB 1.633 37 residues pruned to eliminate duplicates Z: 7 2.636 1.492 0.435 0.373 0.833 0.833 CB 0.691 7 residues pruned to eliminate duplicates Z: 9 3.845 1.469 0.046 0.536 0.875 0.375 CB 0.975 Z: 12 12.016 1.993 0.502 0.575 0.909 0.818 CB 1.239 12 residues pruned to eliminate duplicates Z: 9 21.424 2.338 1.080 0.646 0.875 0.875 CA 1.553 9 residues pruned to eliminate duplicates Z: 12 5.848 1.723 0.612 0.469 0.727 0.636 CB 0.901 13 residues pruned to eliminate duplicates Z: 16 25.955 2.173 0.478 0.899 1.000 0.933 CB 1.492 16 residues pruned to eliminate duplicates Z: 30 21.233 2.051 0.616 0.518 0.793 0.414 CB 1.475 30 residues pruned to eliminate duplicates Z: 12 10.605 1.772 0.829 0.535 0.818 0.636 CB 1.165 16 residues pruned to eliminate duplicates Z: 7 6.822 1.683 0.523 0.561 0.833 0.833 N 1.229 7 residues pruned to eliminate duplicates Z: 67 58.445 2.271 0.957 0.555 0.939 0.712 CB 1.633 67 residues pruned to eliminate duplicates Z: 15 14.099 1.717 0.422 0.886 1.000 1.000 CB 1.114 15 residues pruned to eliminate duplicates Z: 26 30.430 2.128 1.075 0.532 0.960 0.560 CB 1.391 24 residues pruned to eliminate duplicates Z: 7 12.052 1.812 0.462 0.728 1.000 1.000 CA 1.512 Z: 18 22.076 2.125 1.078 0.430 0.882 0.647 CB 1.477 16 residues pruned to eliminate duplicates Z: 20 18.574 2.191 0.769 0.474 0.842 0.684 CB 1.341 20 residues pruned to eliminate duplicates 6 1.845 1.115 0.556 0.453 0.800 0.400 CB 0.624 ? 6 1.727 1.406 -0.222 0.399 0.800 0.400 CA 0.982 ? Z: 14 9.145 1.816 0.503 0.391 0.769 0.538 CB 1.356 14 residues pruned to eliminate duplicates Z: 17 10.421 1.741 0.444 0.511 0.938 0.625 CB 1.093 17 residues pruned to eliminate duplicates Z: 70 59.190 2.296 0.894 0.575 0.913 0.725 CB 1.669 70 residues pruned to eliminate duplicates Z: 23 29.586 2.147 0.745 0.583 0.955 0.727 CA 1.628 23 residues pruned to eliminate duplicates Z: 94 56.284 2.257 0.725 0.545 0.935 0.677 CB 1.533 94 residues pruned to eliminate duplicates Z: 9 2.266 1.555 0.013 0.438 0.875 0.625 CB 0.620 9 residues pruned to eliminate duplicates Z: 9 3.184 1.395 0.074 0.426 0.750 0.375 CB 1.082 Z: 17 13.768 2.044 0.546 0.402 0.938 0.438 CB 1.288 17 residues pruned to eliminate duplicates Z: 17 19.875 2.131 0.579 0.492 0.938 0.750 CB 1.587 17 residues pruned to eliminate duplicates Z: 35 25.734 2.025 0.596 0.510 0.912 0.559 CA 1.483 35 residues pruned to eliminate duplicates Z: 15 14.224 1.758 0.687 0.533 0.857 0.714 CA 1.448 15 residues pruned to eliminate duplicates Z: 24 27.434 2.165 1.012 0.493 0.957 0.652 CB 1.382 24 residues pruned to eliminate duplicates Z: 31 34.492 2.255 0.849 0.480 0.900 0.500 CB 1.712 31 residues pruned to eliminate duplicates Z: 57 36.800 2.124 0.716 0.438 0.929 0.589 CB 1.550 57 residues pruned to eliminate duplicates Z: 13 11.077 1.941 0.736 0.408 0.833 0.750 CA 1.254 13 residues pruned to eliminate duplicates Z: 7 3.913 1.545 0.357 0.518 1.000 0.667 N 0.749 Z: 6 3.482 1.487 0.410 0.469 1.000 0.800 CB 0.767 6 residues pruned to eliminate duplicates Z: 8 28.393 2.395 0.925 0.736 1.000 1.000 CA 1.883 8 residues pruned to eliminate duplicates Z: 7 2.375 1.400 0.011 0.443 0.833 0.667 CA 0.871 Z: 13 15.948 1.838 0.764 0.878 0.917 0.417 CB 1.124 13 residues pruned to eliminate duplicates Z: 21 15.276 1.775 0.663 0.415 0.900 0.550 CB 1.406 21 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 7.610 1.781 0.927 0.730 0.800 0.800 N 1.007 7 residues pruned to eliminate duplicates Z: 6 3.578 1.383 0.945 0.297 0.800 0.400 CA 0.933 6 residues pruned to eliminate duplicates Z: 6 8.824 1.744 0.963 0.361 1.000 0.600 CB 1.339 5 residues pruned to eliminate duplicates Z: 6 7.123 1.588 1.098 0.478 1.000 0.800 N 0.978 6 residues pruned to eliminate duplicates Z: 10 14.906 2.059 0.875 0.659 0.778 0.778 CB 1.428 16 residues pruned to eliminate duplicates Z: 6 4.165 1.663 0.290 0.421 1.000 0.600 CA 0.942 6 residues pruned to eliminate duplicates Z: 84 58.561 2.259 0.880 0.527 0.952 0.663 CB 1.549 84 residues pruned to eliminate duplicates Z: 30 22.873 2.151 0.718 0.438 0.931 0.517 CB 1.316 30 residues pruned to eliminate duplicates Z: 30 16.089 2.046 0.570 0.377 0.897 0.448 CB 1.183 30 residues pruned to eliminate duplicates Z: 29 25.049 2.150 0.954 0.441 0.929 0.714 CB 1.290 29 residues pruned to eliminate duplicates Z: 19 15.094 2.097 0.789 0.351 0.944 0.556 CB 1.180 19 residues pruned to eliminate duplicates Z: 29 24.056 2.202 0.738 0.459 0.893 0.679 CB 1.387 29 residues pruned to eliminate duplicates Z: 121 66.017 2.180 0.872 0.537 0.933 0.717 CB 1.526 121 residues pruned to eliminate duplicates Z: 88 62.604 2.290 0.922 0.526 0.943 0.621 CB 1.576 103 residues pruned to eliminate duplicates Z: 6 6.387 1.687 0.680 0.433 1.000 0.000 CB 1.079 6 residues pruned to eliminate duplicates Z: 29 14.821 2.067 0.529 0.318 0.964 0.643 CB 1.124 29 residues pruned to eliminate duplicates Z: 31 21.467 1.938 0.652 0.529 0.933 0.633 CB 1.275 31 residues pruned to eliminate duplicates Z: 103 51.293 2.159 0.694 0.517 0.922 0.667 CB 1.481 103 residues pruned to eliminate duplicates Z: 32 19.036 1.870 0.856 0.471 0.806 0.516 CB 1.258 32 residues pruned to eliminate duplicates Z: 18 13.907 1.808 0.686 0.434 0.824 0.529 CB 1.438 18 residues pruned to eliminate duplicates Z: 93 53.461 2.180 0.643 0.546 0.935 0.641 CB 1.592 93 residues pruned to eliminate duplicates Z: 32 27.627 1.966 0.688 0.581 0.968 0.742 CB 1.429 32 residues pruned to eliminate duplicates Z: 93 58.315 2.177 0.772 0.559 0.935 0.652 CB 1.592 93 residues pruned to eliminate duplicates Z: 93 56.693 2.200 0.711 0.555 0.924 0.696 CB 1.611 93 residues pruned to eliminate duplicates Z: 93 55.435 2.192 0.715 0.554 0.924 0.641 CB 1.578 93 residues pruned to eliminate duplicates Z: 93 53.149 2.185 0.696 0.551 0.913 0.652 CB 1.558 93 residues pruned to eliminate duplicates Z: 95 55.670 2.166 0.744 0.546 0.915 0.670 CB 1.588 95 residues pruned to eliminate duplicates Z: 94 54.006 2.163 0.738 0.546 0.925 0.624 CB 1.540 94 residues pruned to eliminate duplicates Z: 93 59.236 2.199 0.794 0.552 0.913 0.685 CB 1.629 93 residues pruned to eliminate duplicates Z: 33 31.148 1.996 0.841 0.579 0.969 0.750 CB 1.432 33 residues pruned to eliminate duplicates Z: 94 54.139 2.188 0.753 0.546 0.892 0.645 CB 1.568 94 residues pruned to eliminate duplicates Z: 93 59.109 2.197 0.812 0.554 0.913 0.663 CB 1.609 93 residues pruned to eliminate duplicates Z: 82 48.604 2.160 0.681 0.523 0.938 0.593 CB 1.549 82 residues pruned to eliminate duplicates Z: 82 54.853 2.213 0.727 0.574 0.926 0.630 CB 1.604 82 residues pruned to eliminate duplicates Z: 93 57.740 2.190 0.774 0.566 0.924 0.674 CB 1.573 93 residues pruned to eliminate duplicates Z: 29 15.985 1.817 0.721 0.468 0.821 0.536 CB 1.215 29 residues pruned to eliminate duplicates Z: 109 60.645 2.216 0.789 0.548 0.898 0.676 CB 1.564 109 residues pruned to eliminate duplicates Z: 93 56.718 2.190 0.738 0.561 0.913 0.620 CB 1.603 93 residues pruned to eliminate duplicates Z: 80 50.462 2.160 0.706 0.519 0.949 0.658 CB 1.592 80 residues pruned to eliminate duplicates Z: 108 55.101 2.155 0.775 0.529 0.888 0.626 CB 1.525 108 residues pruned to eliminate duplicates Z: 52 37.784 2.213 0.657 0.456 0.941 0.569 CB 1.603 52 residues pruned to eliminate duplicates Z: 47 39.148 2.265 0.675 0.504 0.913 0.609 CB 1.661 47 residues pruned to eliminate duplicates Z: 60 53.304 2.319 0.749 0.542 0.966 0.661 CB 1.699 60 residues pruned to eliminate duplicates Z: 60 50.739 2.282 0.780 0.538 0.932 0.661 CB 1.681 60 residues pruned to eliminate duplicates Z: 60 49.286 2.292 0.701 0.553 0.915 0.644 CB 1.708 60 residues pruned to eliminate duplicates Z: 61 46.138 2.308 0.715 0.545 0.867 0.633 CB 1.661 61 residues pruned to eliminate duplicates Z: 47 37.431 2.255 0.676 0.511 0.870 0.696 CB 1.662 47 residues pruned to eliminate duplicates Z: 61 51.626 2.304 0.755 0.544 0.933 0.667 CB 1.692 61 residues pruned to eliminate duplicates Z: 61 46.126 2.289 0.670 0.532 0.900 0.600 CB 1.678 61 residues pruned to eliminate duplicates Z: 61 52.392 2.306 0.754 0.555 0.917 0.683 CB 1.729 61 residues pruned to eliminate duplicates Z: 89 54.107 2.272 0.740 0.531 0.909 0.648 CB 1.557 89 residues pruned to eliminate duplicates Z: 62 47.817 2.268 0.719 0.543 0.902 0.607 CB 1.670 62 residues pruned to eliminate duplicates Z: 61 48.614 2.291 0.697 0.557 0.900 0.617 CB 1.697 61 residues pruned to eliminate duplicates Z: 46 40.160 2.277 0.605 0.501 0.978 0.578 CB 1.673 46 residues pruned to eliminate duplicates Z: 77 53.423 2.276 0.828 0.523 0.908 0.645 CB 1.586 77 residues pruned to eliminate duplicates Z: 47 40.076 2.277 0.635 0.501 0.957 0.630 CB 1.658 47 residues pruned to eliminate duplicates Z: 95 52.499 2.161 0.707 0.541 0.894 0.670 CB 1.578 95 residues pruned to eliminate duplicates Z: 56 33.509 2.179 0.592 0.521 0.818 0.564 CB 1.559 56 residues pruned to eliminate duplicates Z: 61 52.791 2.287 0.781 0.546 0.967 0.700 CB 1.655 61 residues pruned to eliminate duplicates Z: 61 50.678 2.303 0.774 0.550 0.917 0.667 CB 1.663 61 residues pruned to eliminate duplicates Z: 51 34.804 2.202 0.669 0.470 0.860 0.680 CB 1.605 51 residues pruned to eliminate duplicates Z: 49 42.222 2.285 0.790 0.543 0.875 0.667 CB 1.632 49 residues pruned to eliminate duplicates Z: 61 47.355 2.291 0.707 0.566 0.883 0.617 CB 1.661 61 residues pruned to eliminate duplicates Z: 60 54.044 2.333 0.779 0.559 0.932 0.576 CB 1.717 60 residues pruned to eliminate duplicates Z: 47 35.735 2.245 0.598 0.485 0.870 0.609 CB 1.715 47 residues pruned to eliminate duplicates Z: 61 52.340 2.288 0.862 0.541 0.917 0.650 CB 1.662 61 residues pruned to eliminate duplicates Z: 61 52.977 2.295 0.839 0.550 0.917 0.633 CB 1.684 61 residues pruned to eliminate duplicates Z: 57 48.133 2.288 0.714 0.539 0.946 0.643 CB 1.667 57 residues pruned to eliminate duplicates Z: 61 51.687 2.272 0.824 0.538 0.933 0.633 CB 1.662 61 residues pruned to eliminate duplicates Z: 47 38.091 2.265 0.650 0.496 0.891 0.717 CB 1.692 47 residues pruned to eliminate duplicates Z: 62 50.001 2.289 0.788 0.540 0.902 0.623 CB 1.668 62 residues pruned to eliminate duplicates Z: 47 42.024 2.270 0.725 0.517 0.913 0.674 CB 1.704 47 residues pruned to eliminate duplicates Z: 58 47.384 2.250 0.756 0.523 0.965 0.632 CB 1.610 58 residues pruned to eliminate duplicates Z: 61 50.892 2.283 0.783 0.579 0.900 0.650 CB 1.663 61 residues pruned to eliminate duplicates Z: 59 48.366 2.296 0.744 0.529 0.931 0.655 CB 1.655 59 residues pruned to eliminate duplicates Z: 51 33.356 2.192 0.664 0.453 0.860 0.500 CB 1.577 51 residues pruned to eliminate duplicates Z: 61 54.549 2.309 0.824 0.553 0.933 0.583 CB 1.701 61 residues pruned to eliminate duplicates Z: 94 61.303 2.180 0.921 0.554 0.914 0.570 CB 1.577 94 residues pruned to eliminate duplicates Z: 60 59.954 2.319 0.942 0.579 0.966 0.627 CB 1.663 60 residues pruned to eliminate duplicates Z: 60 59.223 2.329 0.900 0.575 0.949 0.610 CB 1.708 60 residues pruned to eliminate duplicates Z: 52 39.869 2.184 0.842 0.469 0.941 0.588 CB 1.522 52 residues pruned to eliminate duplicates Z: 60 55.052 2.310 0.867 0.537 0.932 0.661 CB 1.719 60 residues pruned to eliminate duplicates Z: 60 53.445 2.322 0.838 0.551 0.915 0.593 CB 1.694 60 residues pruned to eliminate duplicates Z: 61 52.027 2.277 0.845 0.553 0.917 0.667 CB 1.657 61 residues pruned to eliminate duplicates Z: 60 58.239 2.332 0.908 0.573 0.949 0.661 CB 1.673 60 residues pruned to eliminate duplicates Z: 44 41.361 2.275 0.697 0.587 0.930 0.791 CB 1.616 44 residues pruned to eliminate duplicates Z: 57 52.550 2.322 0.764 0.551 0.964 0.625 CB 1.692 57 residues pruned to eliminate duplicates Z: 79 58.239 2.204 0.920 0.574 0.923 0.667 CB 1.572 79 residues pruned to eliminate duplicates Z: 107 63.889 2.214 0.875 0.550 0.915 0.679 CB 1.556 107 residues pruned to eliminate duplicates Z: 18 25.569 2.187 0.953 0.623 0.765 0.706 CA 1.690 18 residues pruned to eliminate duplicates Z: 48 48.715 2.281 0.873 0.564 0.957 0.660 CB 1.634 48 residues pruned to eliminate duplicates Z: 19 27.394 2.125 0.994 0.707 0.833 0.722 CB 1.516 19 residues pruned to eliminate duplicates Z: 93 62.574 2.187 0.908 0.552 0.957 0.685 CB 1.553 93 residues pruned to eliminate duplicates Z: 60 56.609 2.308 0.856 0.581 0.966 0.678 CB 1.648 60 residues pruned to eliminate duplicates Z: 61 57.083 2.292 0.918 0.557 0.950 0.617 CB 1.669 61 residues pruned to eliminate duplicates Z: 15 39.314 2.321 1.221 0.761 0.929 0.643 CB 1.741 15 residues pruned to eliminate duplicates Z: 61 52.726 2.286 0.853 0.558 0.917 0.600 CB 1.657 61 residues pruned to eliminate duplicates Z: 8 4.653 1.633 0.832 0.185 0.714 0.286 N 1.201 8 residues pruned to eliminate duplicates Z: 54 47.419 2.318 0.851 0.576 0.887 0.660 CB 1.592 54 residues pruned to eliminate duplicates Z: 110 65.837 2.208 0.839 0.551 0.945 0.679 CB 1.563 110 residues pruned to eliminate duplicates Z: 27 24.188 2.066 0.875 0.479 0.923 0.692 CB 1.355 27 residues pruned to eliminate duplicates Z: 23 23.862 2.181 0.859 0.502 0.909 0.818 CB 1.377 23 residues pruned to eliminate duplicates Z: 27 20.319 2.121 0.801 0.453 0.846 0.615 CB 1.294 27 residues pruned to eliminate duplicates Z: 26 18.570 2.051 0.683 0.463 0.920 0.760 CB 1.214 26 residues pruned to eliminate duplicates Z: 18 19.189 2.185 0.857 0.482 0.882 0.647 CB 1.323 18 residues pruned to eliminate duplicates Z: 17 22.177 2.239 0.873 0.518 0.938 0.625 CB 1.385 17 residues pruned to eliminate duplicates Z: 56 51.301 2.325 0.842 0.584 0.945 0.727 CB 1.577 56 residues pruned to eliminate duplicates Z: 78 58.280 2.301 0.876 0.536 0.922 0.662 CB 1.611 78 residues pruned to eliminate duplicates Z: 40 39.289 2.243 0.988 0.520 0.872 0.667 CB 1.587 40 residues pruned to eliminate duplicates Z: 76 61.131 2.324 0.922 0.550 0.920 0.693 CB 1.636 76 residues pruned to eliminate duplicates Z: 17 23.204 2.248 0.884 0.542 1.000 0.688 CB 1.315 17 residues pruned to eliminate duplicates Z: 18 22.302 2.169 0.869 0.482 1.000 0.706 CB 1.359 18 residues pruned to eliminate duplicates Z: 9 18.779 2.172 0.906 0.739 0.875 0.875 CB 1.479 9 residues pruned to eliminate duplicates Z: 9 16.018 2.150 0.774 0.719 0.875 0.750 CB 1.392 9 residues pruned to eliminate duplicates Z: 9 18.261 2.011 0.926 0.808 1.000 1.000 CB 1.275 9 residues pruned to eliminate duplicates Z: 8 19.588 2.192 0.835 0.850 1.000 0.857 CB 1.363 8 residues pruned to eliminate duplicates Z: 11 15.771 1.987 0.762 0.663 0.900 0.700 CB 1.361 11 residues pruned to eliminate duplicates Z: 9 12.282 1.983 0.764 0.612 0.875 0.500 CB 1.276 9 residues pruned to eliminate duplicates Z: 60 55.225 2.258 0.839 0.556 0.966 0.627 CB 1.697 60 residues pruned to eliminate duplicates Z: 36 45.119 2.356 0.787 0.599 0.971 0.600 CA 1.697 36 residues pruned to eliminate duplicates Z: 60 47.431 2.264 0.745 0.534 0.915 0.593 CA 1.651 60 residues pruned to eliminate duplicates Z: 51 37.535 2.225 0.727 0.435 0.880 0.620 CB 1.680 51 residues pruned to eliminate duplicates Z: 46 39.806 2.243 0.717 0.480 0.933 0.600 CA 1.684 46 residues pruned to eliminate duplicates Z: 44 31.396 2.172 0.702 0.444 0.884 0.512 CB 1.552 44 residues pruned to eliminate duplicates Z: 62 53.188 2.270 0.929 0.514 0.934 0.672 CB 1.641 62 residues pruned to eliminate duplicates Z: 95 65.040 2.227 0.893 0.539 0.947 0.628 CB 1.618 95 residues pruned to eliminate duplicates Z: 96 63.328 2.248 0.797 0.520 0.947 0.653 CB 1.665 96 residues pruned to eliminate duplicates Z: 58 47.320 2.227 0.801 0.522 0.947 0.596 CA 1.615 58 residues pruned to eliminate duplicates Z: 82 54.295 2.224 0.756 0.518 0.926 0.691 CB 1.638 82 residues pruned to eliminate duplicates Z: 67 50.287 2.237 0.810 0.513 0.924 0.621 CB 1.632 67 residues pruned to eliminate duplicates Z: 63 51.872 2.220 0.833 0.516 0.968 0.629 CB 1.647 63 residues pruned to eliminate duplicates Z: 95 67.249 2.266 0.825 0.539 0.957 0.691 CB 1.685 95 residues pruned to eliminate duplicates Z: 61 52.376 2.253 0.833 0.540 0.950 0.633 CB 1.657 61 residues pruned to eliminate duplicates Z: 95 60.266 2.225 0.829 0.534 0.926 0.606 CB 1.595 95 residues pruned to eliminate duplicates Z: 52 40.070 2.235 0.706 0.445 0.961 0.608 CB 1.620 52 residues pruned to eliminate duplicates Z: 95 56.904 2.236 0.749 0.527 0.883 0.660 CB 1.655 95 residues pruned to eliminate duplicates Z: 67 47.906 2.231 0.781 0.506 0.894 0.576 CB 1.650 67 residues pruned to eliminate duplicates Z: 52 37.599 2.246 0.789 0.436 0.882 0.588 CB 1.586 52 residues pruned to eliminate duplicates Z: 96 63.910 2.250 0.863 0.540 0.926 0.695 CB 1.624 96 residues pruned to eliminate duplicates Z: 31 22.769 2.085 0.496 0.504 0.900 0.667 CA 1.475 31 residues pruned to eliminate duplicates Z: 47 41.091 2.244 0.686 0.556 0.913 0.609 CA 1.661 47 residues pruned to eliminate duplicates Z: 47 39.418 2.226 0.671 0.489 0.935 0.652 CB 1.690 47 residues pruned to eliminate duplicates Z: 66 46.015 2.206 0.791 0.508 0.923 0.554 CB 1.552 66 residues pruned to eliminate duplicates Z: 65 42.021 2.129 0.846 0.527 0.844 0.625 CB 1.542 65 residues pruned to eliminate duplicates Z: 74 49.146 2.228 0.715 0.540 0.877 0.575 CB 1.652 74 residues pruned to eliminate duplicates Z: 23 24.515 2.188 0.588 0.520 0.909 0.545 CA 1.622 23 residues pruned to eliminate duplicates Z: 59 39.032 2.173 0.715 0.462 0.862 0.569 CA 1.658 59 residues pruned to eliminate duplicates Z: 37 37.069 2.245 0.832 0.594 0.861 0.583 CA 1.595 37 residues pruned to eliminate duplicates Z: 95 66.764 2.264 0.906 0.551 0.926 0.628 CB 1.640 95 residues pruned to eliminate duplicates Z: 53 40.512 2.204 0.801 0.456 0.923 0.577 CB 1.604 53 residues pruned to eliminate duplicates Z: 45 42.570 2.287 0.725 0.512 0.932 0.636 CB 1.725 45 residues pruned to eliminate duplicates Z: 60 58.121 2.291 0.943 0.570 0.949 0.678 CB 1.675 60 residues pruned to eliminate duplicates Z: 28 26.533 2.159 0.679 0.555 0.889 0.593 CA 1.502 28 residues pruned to eliminate duplicates Z: 50 41.704 2.225 0.804 0.556 0.878 0.551 CB 1.602 50 residues pruned to eliminate duplicates Z: 43 38.880 2.212 0.848 0.589 0.857 0.595 CA 1.572 43 residues pruned to eliminate duplicates Z: 65 53.414 2.189 0.932 0.546 0.953 0.594 CB 1.584 65 residues pruned to eliminate duplicates Z: 82 53.599 2.176 0.868 0.508 0.926 0.605 CB 1.569 82 residues pruned to eliminate duplicates Z: 65 56.757 2.275 0.887 0.547 0.938 0.641 CA 1.684 27 residues pruned to eliminate duplicates Z: 6 7.109 1.929 0.456 0.354 1.000 0.400 CA 1.326 6 residues pruned to eliminate duplicates Z: 29 27.816 2.118 0.714 0.553 0.893 0.571 CA 1.540 29 residues pruned to eliminate duplicates Z: 38 45.905 2.224 0.939 0.611 0.973 0.676 CA 1.619 37 residues pruned to eliminate duplicates Z: 16 30.367 2.184 1.107 0.684 0.933 0.600 CB 1.542 17 residues pruned to eliminate duplicates Z: 15 31.022 2.235 0.903 0.730 1.000 0.714 CA 1.585 15 residues pruned to eliminate duplicates Z: 84 57.314 2.214 0.801 0.534 0.928 0.627 CB 1.644 47 residues pruned to eliminate duplicates Z: 15 28.336 2.123 0.941 0.851 0.929 0.857 CA 1.464 15 residues pruned to eliminate duplicates Z: 67 51.535 2.231 0.858 0.513 0.939 0.621 CB 1.608 47 residues pruned to eliminate duplicates Z: 13 37.929 2.361 1.037 0.869 1.000 0.917 CA 1.663 13 residues pruned to eliminate duplicates Z: 61 52.926 2.252 0.890 0.548 0.933 0.650 CA 1.641 61 residues pruned to eliminate duplicates Z: 96 64.039 2.229 0.860 0.544 0.916 0.663 CB 1.657 67 residues pruned to eliminate duplicates Z: 13 37.052 2.367 0.961 0.874 1.000 0.750 CA 1.678 13 residues pruned to eliminate duplicates Z: 13 33.922 2.459 1.180 0.784 0.917 0.750 CA 1.552 13 residues pruned to eliminate duplicates Z: 15 27.874 2.222 1.069 0.663 0.929 0.571 CA 1.501 15 residues pruned to eliminate duplicates Z: 67 47.712 2.209 0.800 0.507 0.909 0.636 CB 1.614 67 residues pruned to eliminate duplicates Z: 69 55.068 2.207 0.977 0.544 0.926 0.647 CB 1.583 46 residues pruned to eliminate duplicates Z: 15 30.721 2.366 0.972 0.717 0.857 0.714 CA 1.687 15 residues pruned to eliminate duplicates Z: 28 26.463 2.139 0.911 0.445 0.926 0.667 CB 1.423 25 residues pruned to eliminate duplicates Z: 6 7.552 1.687 1.111 0.351 0.800 0.800 CA 1.393 6 1.997 1.554 0.623 0.283 0.800 0.400 CA 0.565 ? Z: 8 6.526 1.781 0.481 0.356 0.857 0.714 C 1.276 8 residues pruned to eliminate duplicates Z: 8 9.680 1.975 0.863 0.363 1.000 0.286 CB 1.152 8 residues pruned to eliminate duplicates Z: 24 27.068 2.173 1.156 0.485 0.957 0.609 CB 1.278 24 residues pruned to eliminate duplicates Z: 23 31.883 2.241 1.168 0.481 1.000 0.773 CB 1.427 23 residues pruned to eliminate duplicates Z: 29 30.752 2.166 1.111 0.504 0.929 0.643 CB 1.363 29 residues pruned to eliminate duplicates Z: 26 25.308 2.128 0.986 0.449 0.880 0.640 CB 1.434 26 residues pruned to eliminate duplicates Z: 16 12.297 2.016 0.826 0.375 0.867 0.600 CB 1.137 16 residues pruned to eliminate duplicates Z: 25 29.679 2.235 0.857 0.560 0.875 0.625 CB 1.575 25 residues pruned to eliminate duplicates Z: 36 35.374 2.192 0.749 0.554 0.943 0.686 CB 1.570 36 residues pruned to eliminate duplicates Z: 95 64.475 2.259 0.815 0.550 0.936 0.649 CB 1.650 95 residues pruned to eliminate duplicates Z: 37 38.493 2.173 0.871 0.565 0.917 0.722 CB 1.617 44 residues pruned to eliminate duplicates Z: 16 35.441 2.222 0.701 0.765 1.000 0.733 CA 1.913 16 residues pruned to eliminate duplicates Z: 35 41.025 2.183 0.953 0.594 0.941 0.735 CB 1.602 35 residues pruned to eliminate duplicates Z: 15 25.698 2.073 0.635 0.848 0.929 0.929 CB 1.618 15 residues pruned to eliminate duplicates Z: 41 36.205 2.110 0.787 0.517 0.975 0.575 CB 1.531 41 residues pruned to eliminate duplicates Z: 34 41.940 2.258 0.937 0.600 0.939 0.788 CB 1.616 34 residues pruned to eliminate duplicates Z: 49 42.992 2.206 0.972 0.505 0.917 0.708 CB 1.548 49 residues pruned to eliminate duplicates Z: 35 41.548 2.235 0.958 0.555 0.941 0.706 CB 1.640 35 residues pruned to eliminate duplicates Z: 33 39.111 2.216 0.990 0.566 0.906 0.750 CB 1.624 33 residues pruned to eliminate duplicates Z: 97 68.847 2.239 0.907 0.544 0.958 0.667 CB 1.645 97 residues pruned to eliminate duplicates Z: 35 45.005 2.247 0.964 0.561 1.000 0.735 CB 1.648 35 residues pruned to eliminate duplicates Z: 33 42.995 2.259 0.846 0.582 1.000 0.844 CB 1.684 33 residues pruned to eliminate duplicates Z: 16 32.111 2.034 1.187 0.853 0.933 0.733 CB 1.476 16 residues pruned to eliminate duplicates Z: 35 40.965 2.222 0.933 0.584 0.941 0.706 CB 1.603 35 residues pruned to eliminate duplicates Z: 16 38.560 2.277 1.018 0.745 1.000 0.800 CB 1.740 16 residues pruned to eliminate duplicates Z: 53 46.305 2.265 0.887 0.501 0.942 0.615 CB 1.593 53 residues pruned to eliminate duplicates Z: 37 37.422 2.175 0.808 0.539 0.972 0.778 CB 1.571 37 residues pruned to eliminate duplicates Z: 33 33.073 2.240 0.626 0.568 0.906 0.719 CB 1.659 34 residues pruned to eliminate duplicates Z: 6 3.698 1.663 0.432 0.408 0.800 0.600 CB 0.956 6 residues pruned to eliminate duplicates Z: 48 42.837 2.166 0.950 0.563 0.957 0.681 CB 1.453 48 residues pruned to eliminate duplicates Z: 92 62.959 2.299 0.740 0.560 0.956 0.626 CB 1.629 92 residues pruned to eliminate duplicates Z: 6 6.914 1.637 0.699 0.417 1.000 0.600 CA 1.213 6 residues pruned to eliminate duplicates Z: 94 62.711 2.265 0.748 0.556 0.968 0.667 CB 1.606 94 residues pruned to eliminate duplicates Z: 35 30.598 2.084 0.679 0.607 0.971 0.794 CB 1.396 35 residues pruned to eliminate duplicates Z: 94 60.495 2.269 0.731 0.549 0.968 0.677 CB 1.574 93 residues pruned to eliminate duplicates Z: 6 7.419 1.987 0.583 0.312 1.000 0.600 CB 1.299 6 residues pruned to eliminate duplicates Z: 92 60.417 2.297 0.738 0.557 0.934 0.692 CB 1.606 93 residues pruned to eliminate duplicates Z: 16 24.979 1.968 1.008 0.749 1.000 0.867 CB 1.307 16 residues pruned to eliminate duplicates Z: 103 58.292 2.244 0.731 0.551 0.922 0.657 CB 1.535 103 residues pruned to eliminate duplicates Z: 32 29.456 2.120 0.761 0.611 0.935 0.839 CB 1.364 32 residues pruned to eliminate duplicates Z: 44 40.046 2.222 0.854 0.551 0.953 0.791 CB 1.480 44 residues pruned to eliminate duplicates Z: 92 60.664 2.290 0.743 0.556 0.945 0.714 CB 1.596 92 residues pruned to eliminate duplicates Z: 53 38.849 2.189 0.829 0.519 0.904 0.692 CB 1.462 53 residues pruned to eliminate duplicates Z: 92 59.787 2.297 0.685 0.550 0.967 0.758 CB 1.594 92 residues pruned to eliminate duplicates Z: 94 59.390 2.251 0.734 0.543 0.946 0.656 CB 1.599 94 residues pruned to eliminate duplicates Z: 50 43.280 2.250 0.818 0.537 0.959 0.735 CB 1.519 50 residues pruned to eliminate duplicates Z: 93 59.851 2.287 0.749 0.539 0.935 0.685 CB 1.606 93 residues pruned to eliminate duplicates Z: 42 25.774 1.980 0.793 0.496 0.927 0.585 CB 1.229 42 residues pruned to eliminate duplicates Z: 105 58.941 2.227 0.771 0.538 0.913 0.683 CB 1.545 105 residues pruned to eliminate duplicates Z: 48 42.341 2.256 0.857 0.545 0.915 0.745 CB 1.542 48 residues pruned to eliminate duplicates Z: 36 25.355 2.038 0.676 0.533 0.914 0.800 CB 1.329 36 residues pruned to eliminate duplicates Z: 92 64.969 2.313 0.788 0.558 0.956 0.714 CB 1.628 92 residues pruned to eliminate duplicates Z: 6 3.783 1.361 0.409 0.367 1.000 0.200 C 1.018 6 residues pruned to eliminate duplicates Z: 65 50.397 2.300 0.715 0.520 0.938 0.656 CB 1.670 65 residues pruned to eliminate duplicates Z: 22 23.071 2.288 0.973 0.401 0.810 0.619 CB 1.529 22 residues pruned to eliminate duplicates Z: 97 59.709 2.236 0.760 0.538 0.948 0.667 CB 1.574 97 residues pruned to eliminate duplicates Z: 69 53.965 2.344 0.729 0.527 0.941 0.632 CB 1.672 69 residues pruned to eliminate duplicates Z: 66 49.352 2.307 0.791 0.498 0.923 0.646 CB 1.608 66 residues pruned to eliminate duplicates Z: 65 50.495 2.307 0.717 0.508 0.938 0.641 CB 1.686 65 residues pruned to eliminate duplicates Z: 64 49.431 2.330 0.713 0.500 0.937 0.651 CB 1.667 64 residues pruned to eliminate duplicates Z: 67 47.181 2.296 0.681 0.493 0.955 0.576 CB 1.587 67 residues pruned to eliminate duplicates Z: 51 39.426 2.302 0.615 0.463 0.920 0.660 CB 1.693 51 residues pruned to eliminate duplicates Z: 64 51.259 2.325 0.779 0.521 0.921 0.651 CB 1.661 64 residues pruned to eliminate duplicates Z: 65 49.520 2.293 0.792 0.495 0.922 0.609 CB 1.642 65 residues pruned to eliminate duplicates Z: 93 59.302 2.282 0.752 0.541 0.935 0.674 CB 1.589 93 residues pruned to eliminate duplicates Z: 8 7.152 1.869 0.303 0.529 0.857 0.714 CB 1.258 8 residues pruned to eliminate duplicates Z: 62 48.378 2.302 0.757 0.523 0.918 0.623 CB 1.630 62 residues pruned to eliminate duplicates Z: 50 42.904 2.227 0.865 0.566 0.918 0.735 CB 1.507 50 residues pruned to eliminate duplicates Z: 63 50.523 2.317 0.753 0.513 0.935 0.661 CB 1.667 63 residues pruned to eliminate duplicates Z: 62 52.873 2.353 0.793 0.546 0.934 0.590 CB 1.642 62 residues pruned to eliminate duplicates Z: 47 38.774 2.287 0.565 0.525 0.935 0.565 CB 1.666 47 residues pruned to eliminate duplicates Z: 68 54.308 2.342 0.784 0.554 0.910 0.657 CB 1.656 68 residues pruned to eliminate duplicates Z: 65 48.845 2.326 0.777 0.516 0.906 0.609 CB 1.605 65 residues pruned to eliminate duplicates Z: 71 46.484 2.241 0.811 0.464 0.900 0.600 CB 1.578 71 residues pruned to eliminate duplicates Z: 61 52.820 2.349 0.739 0.541 0.950 0.633 CB 1.689 61 residues pruned to eliminate duplicates Z: 93 60.547 2.282 0.804 0.557 0.935 0.652 CB 1.553 93 residues pruned to eliminate duplicates Z: 45 41.524 2.239 0.765 0.557 0.955 0.682 CB 1.570 45 residues pruned to eliminate duplicates Z: 78 53.869 2.213 0.865 0.526 0.935 0.675 CB 1.550 78 residues pruned to eliminate duplicates Z: 48 38.936 2.289 0.604 0.524 0.915 0.574 CB 1.651 48 residues pruned to eliminate duplicates Z: 62 51.766 2.328 0.839 0.527 0.902 0.656 CB 1.672 62 residues pruned to eliminate duplicates Z: 61 48.447 2.332 0.797 0.532 0.883 0.633 CB 1.638 61 residues pruned to eliminate duplicates Z: 42 49.776 2.340 0.829 0.591 1.000 0.585 CB 1.665 42 residues pruned to eliminate duplicates Z: 59 52.844 2.355 0.747 0.548 0.948 0.672 CB 1.697 59 residues pruned to eliminate duplicates Z: 64 51.541 2.317 0.782 0.516 0.937 0.635 CB 1.653 64 residues pruned to eliminate duplicates Z: 64 50.506 2.312 0.837 0.507 0.905 0.587 CB 1.645 64 residues pruned to eliminate duplicates Z: 62 55.893 2.352 0.858 0.542 0.951 0.672 CB 1.652 62 residues pruned to eliminate duplicates Z: 66 52.146 2.282 0.856 0.498 0.954 0.569 CB 1.605 66 residues pruned to eliminate duplicates Z: 94 57.433 2.258 0.774 0.546 0.925 0.667 CB 1.537 94 residues pruned to eliminate duplicates Z: 64 54.858 2.318 0.867 0.522 0.937 0.603 CB 1.669 64 residues pruned to eliminate duplicates Z: 61 52.878 2.291 0.850 0.541 0.950 0.600 CB 1.627 61 residues pruned to eliminate duplicates Z: 46 41.883 2.320 0.658 0.539 0.933 0.644 CB 1.674 46 residues pruned to eliminate duplicates Z: 59 57.576 2.373 0.869 0.563 0.966 0.724 CB 1.661 59 residues pruned to eliminate duplicates Z: 93 62.337 2.299 0.782 0.558 0.946 0.707 CB 1.585 93 residues pruned to eliminate duplicates Z: 65 51.101 2.269 0.811 0.514 0.922 0.594 CB 1.663 65 residues pruned to eliminate duplicates Z: 59 56.526 2.361 0.787 0.577 0.966 0.741 CB 1.691 59 residues pruned to eliminate duplicates Z: 80 60.631 2.297 0.918 0.561 0.937 0.671 CB 1.558 80 residues pruned to eliminate duplicates Z: 62 52.981 2.352 0.837 0.531 0.918 0.623 CB 1.658 62 residues pruned to eliminate duplicates Z: 62 52.331 2.337 0.885 0.520 0.902 0.557 CB 1.654 62 residues pruned to eliminate duplicates Z: 65 51.680 2.301 0.845 0.514 0.922 0.594 CB 1.628 65 residues pruned to eliminate duplicates Z: 65 51.402 2.303 0.845 0.513 0.922 0.688 CB 1.619 65 residues pruned to eliminate duplicates Z: 78 58.611 2.294 0.911 0.534 0.909 0.636 CB 1.621 78 residues pruned to eliminate duplicates Z: 93 65.191 2.282 0.923 0.559 0.924 0.674 CB 1.584 93 residues pruned to eliminate duplicates Z: 11 34.987 2.515 0.774 0.849 1.000 0.900 CB 1.838 11 residues pruned to eliminate duplicates Z: 65 48.411 2.275 0.811 0.512 0.891 0.688 CB 1.629 65 residues pruned to eliminate duplicates Z: 43 48.338 2.322 0.847 0.593 0.976 0.667 CB 1.630 43 residues pruned to eliminate duplicates Z: 61 53.960 2.345 0.869 0.564 0.917 0.667 CB 1.629 61 residues pruned to eliminate duplicates Z: 65 50.709 2.280 0.843 0.504 0.938 0.625 CB 1.602 65 residues pruned to eliminate duplicates Z: 90 53.145 2.240 0.811 0.500 0.910 0.685 CB 1.526 90 residues pruned to eliminate duplicates Z: 70 55.551 2.307 0.841 0.550 0.928 0.638 CB 1.616 70 residues pruned to eliminate duplicates Z: 74 50.930 2.242 0.773 0.513 0.932 0.589 CB 1.589 74 residues pruned to eliminate duplicates Z: 16 18.675 2.218 0.757 0.561 0.800 0.400 CB 1.458 16 residues pruned to eliminate duplicates Z: 95 55.627 2.246 0.843 0.511 0.904 0.638 CB 1.516 95 residues pruned to eliminate duplicates Z: 79 51.374 2.287 0.811 0.516 0.910 0.679 CB 1.519 79 residues pruned to eliminate duplicates Z: 29 24.758 2.136 0.943 0.438 0.857 0.643 CB 1.402 29 residues pruned to eliminate duplicates Z: 11 20.319 2.143 0.990 0.576 0.900 0.900 CB 1.557 11 residues pruned to eliminate duplicates Z: 25 21.047 2.076 0.844 0.458 0.917 0.750 CB 1.278 25 residues pruned to eliminate duplicates Z: 69 50.535 2.292 0.813 0.538 0.868 0.618 CB 1.637 69 residues pruned to eliminate duplicates Z: 73 53.753 2.243 0.824 0.524 0.931 0.611 CB 1.625 73 residues pruned to eliminate duplicates Z: 12 15.235 2.044 0.885 0.519 0.818 0.818 CA 1.430 12 residues pruned to eliminate duplicates Z: 11 18.757 2.078 0.987 0.564 0.900 0.600 CB 1.500 11 residues pruned to eliminate duplicates Z: 29 19.329 2.101 0.781 0.417 0.857 0.464 CB 1.243 29 residues pruned to eliminate duplicates Z: 31 24.638 2.049 0.928 0.461 0.867 0.667 CB 1.368 31 residues pruned to eliminate duplicates Z: 29 22.822 2.116 0.957 0.406 0.893 0.607 CB 1.288 29 residues pruned to eliminate duplicates Z: 30 30.250 2.141 1.097 0.478 0.931 0.621 CB 1.375 30 residues pruned to eliminate duplicates Z: 27 21.941 2.095 0.870 0.457 0.885 0.654 CB 1.297 27 residues pruned to eliminate duplicates Z: 13 11.788 2.177 0.818 0.404 0.750 0.667 CB 1.268 13 residues pruned to eliminate duplicates Z: 24 25.369 2.187 0.921 0.486 0.913 0.739 CB 1.399 24 residues pruned to eliminate duplicates Z: 29 29.023 2.187 0.907 0.481 0.964 0.750 CB 1.390 29 residues pruned to eliminate duplicates Z: 30 28.572 2.152 0.949 0.493 0.931 0.517 CB 1.369 30 residues pruned to eliminate duplicates Z: 24 25.417 2.203 0.904 0.544 0.913 0.609 CB 1.325 24 residues pruned to eliminate duplicates Z: 15 14.414 2.039 0.892 0.444 0.929 0.643 CB 1.140 15 residues pruned to eliminate duplicates Z: 18 12.909 2.058 0.696 0.438 0.824 0.529 CB 1.162 18 residues pruned to eliminate duplicates Z: 18 9.983 1.929 0.820 0.330 0.706 0.529 CB 1.177 18 residues pruned to eliminate duplicates Z: 11 11.051 1.853 0.821 0.431 0.800 0.400 CA 1.391 11 residues pruned to eliminate duplicates Z: 20 12.727 1.964 0.697 0.388 0.842 0.579 CB 1.172 20 residues pruned to eliminate duplicates Z: 18 10.408 2.011 0.419 0.360 0.824 0.706 CB 1.249 18 residues pruned to eliminate duplicates Z: 22 16.542 2.002 0.649 0.387 0.905 0.619 CB 1.362 22 residues pruned to eliminate duplicates Z: 30 20.857 2.027 0.556 0.407 0.897 0.586 CB 1.510 31 residues pruned to eliminate duplicates 374 residues left after pruning, divided into chains as follows: A: 9 B: 127 C: 12 D: 80 E: 15 F: 131 CC for partial structure against native data = 40.01 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.447, Connect. = 0.734 for dens.mod. cycle 1 = 0.300, Contrast = 0.513, Connect. = 0.760 for dens.mod. cycle 2 = 0.300, Contrast = 0.619, Connect. = 0.788 for dens.mod. cycle 3 = 0.300, Contrast = 0.629, Connect. = 0.791 for dens.mod. cycle 4 = 0.300, Contrast = 0.643, Connect. = 0.793 for dens.mod. cycle 5 = 0.300, Contrast = 0.650, Connect. = 0.795 for dens.mod. cycle 6 = 0.300, Contrast = 0.657, Connect. = 0.797 for dens.mod. cycle 7 = 0.300, Contrast = 0.662, Connect. = 0.798 for dens.mod. cycle 8 = 0.300, Contrast = 0.666, Connect. = 0.799 for dens.mod. cycle 9 = 0.300, Contrast = 0.669, Connect. = 0.799 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2469 peaks > 0.5 sigma used to seed fragment search Space for about 500 unique residues taking solvent into account 538 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 37.559 2.291 0.849 0.882 1.000 0.769 CB 1.779 B: 12 40.882 2.387 0.982 0.925 1.000 0.909 CB 1.829 12 residues pruned to eliminate duplicates C: 13 24.171 2.286 0.460 0.878 0.917 0.833 CB 1.655 D: 14 21.293 2.092 0.764 0.798 0.923 0.769 CB 1.336 14 residues pruned to eliminate duplicates E: 14 28.356 2.373 0.508 0.825 0.923 0.769 CB 1.797 F: 14 31.155 2.206 0.786 0.874 1.000 0.769 CA 1.596 14 residues pruned to eliminate duplicates G: 15 32.839 2.324 0.554 0.910 1.000 0.857 CB 1.723 H: 12 40.706 2.377 1.073 0.904 1.000 0.909 CB 1.775 12 residues pruned to eliminate duplicates I: 15 34.265 2.172 0.946 0.836 1.000 0.786 CB 1.622 14 residues pruned to eliminate duplicates J: 13 30.125 2.278 0.724 0.884 1.000 0.917 CB 1.600 13 residues pruned to eliminate duplicates K: 12 37.152 2.388 0.768 0.922 1.000 1.000 CB 1.865 12 residues pruned to eliminate duplicates L: 17 32.180 2.273 0.697 0.855 0.875 0.688 CB 1.760 15 residues pruned to eliminate duplicates M: 13 37.686 2.214 0.988 0.923 1.000 0.667 CB 1.736 13 residues pruned to eliminate duplicates N: 16 34.910 2.309 0.569 0.935 1.000 0.933 CA 1.734 O: 14 24.739 2.083 0.801 0.634 1.000 0.846 CA 1.614 P: 13 23.817 2.142 0.683 0.821 0.833 0.667 CA 1.733 13 residues pruned to eliminate duplicates Q: 14 35.461 2.351 0.886 0.811 0.923 0.923 CB 1.833 15 residues pruned to eliminate duplicates R: 12 25.200 2.403 0.319 0.853 1.000 0.727 CB 1.772 12 residues pruned to eliminate duplicates S: 15 30.833 2.327 0.488 0.937 1.000 0.929 CA 1.656 15 residues pruned to eliminate duplicates T: 13 47.364 2.347 1.430 0.890 0.917 0.750 CA 1.882 13 residues pruned to eliminate duplicates U: 16 19.741 1.875 0.780 0.571 1.000 0.867 CB 1.425 15 residues pruned to eliminate duplicates V: 14 43.388 2.263 1.231 0.873 1.000 0.769 CB 1.736 14 residues pruned to eliminate duplicates W: 14 23.590 2.119 0.788 0.649 0.923 0.769 CB 1.628 14 residues pruned to eliminate duplicates X: 15 17.383 1.937 0.804 0.583 0.857 0.643 CA 1.432 16 residues pruned to eliminate duplicates Y: 9 29.379 2.350 1.022 0.798 1.000 1.000 CB 1.684 Z: 17 36.540 2.204 0.716 0.910 1.000 0.688 CB 1.714 17 residues pruned to eliminate duplicates Z: 11 34.989 2.401 0.979 0.923 1.000 1.000 CA 1.636 Z: 16 28.097 2.277 0.287 0.921 1.000 0.800 CB 1.742 16 residues pruned to eliminate duplicates Z: 14 42.967 2.253 1.097 0.886 1.000 0.846 CA 1.820 13 residues pruned to eliminate duplicates Z: 16 36.395 2.290 0.696 0.933 1.000 0.933 CA 1.689 16 residues pruned to eliminate duplicates Z: 16 34.408 2.294 0.509 0.915 1.000 0.800 CA 1.813 16 residues pruned to eliminate duplicates Z: 12 28.355 2.387 0.486 0.828 1.000 0.727 CB 1.815 12 residues pruned to eliminate duplicates Z: 62 48.561 2.342 0.660 0.515 0.951 0.672 CB 1.658 29 residues pruned to eliminate duplicates Z: 12 25.704 2.316 0.454 0.823 1.000 0.909 CB 1.740 12 residues pruned to eliminate duplicates Z: 13 26.203 2.284 0.658 0.859 0.917 0.917 CA 1.603 13 residues pruned to eliminate duplicates Z: 14 41.760 2.345 0.957 0.876 1.000 0.846 CB 1.835 14 residues pruned to eliminate duplicates Z: 94 58.290 2.199 0.750 0.558 0.914 0.742 CB 1.624 16 residues pruned to eliminate duplicates Z: 14 43.425 2.316 1.099 0.858 1.000 0.923 CB 1.824 14 residues pruned to eliminate duplicates Z: 46 48.596 2.309 0.833 0.549 0.956 0.689 CB 1.707 14 residues pruned to eliminate duplicates Z: 11 21.427 2.194 0.948 0.688 0.900 0.700 CB 1.483 11 residues pruned to eliminate duplicates Z: 24 20.052 2.151 0.671 0.482 0.913 0.696 CB 1.298 Z: 59 49.666 2.275 0.819 0.542 0.914 0.621 CA 1.656 38 residues pruned to eliminate duplicates Z: 13 29.057 2.220 1.151 0.801 0.917 0.833 CA 1.473 13 residues pruned to eliminate duplicates Z: 16 29.437 2.285 0.450 0.936 0.933 0.933 CA 1.711 16 residues pruned to eliminate duplicates Z: 13 33.771 2.278 0.987 0.885 1.000 0.833 CA 1.555 13 residues pruned to eliminate duplicates Z: 13 27.913 2.270 0.710 0.862 1.000 0.833 CA 1.524 13 residues pruned to eliminate duplicates Z: 10 19.176 2.044 1.000 0.675 0.889 0.778 CA 1.497 10 residues pruned to eliminate duplicates Z: 94 61.429 2.225 0.748 0.565 0.946 0.667 CB 1.625 94 residues pruned to eliminate duplicates Z: 16 27.970 2.204 0.521 0.931 1.000 0.800 CB 1.505 16 residues pruned to eliminate duplicates Z: 61 48.675 2.334 0.662 0.531 0.917 0.633 CB 1.714 64 residues pruned to eliminate duplicates Z: 60 47.580 2.274 0.771 0.522 0.915 0.559 CA 1.645 60 residues pruned to eliminate duplicates Z: 14 17.548 2.013 0.698 0.575 0.923 0.923 CB 1.434 14 residues pruned to eliminate duplicates Z: 96 64.205 2.274 0.739 0.560 0.937 0.674 CB 1.677 96 residues pruned to eliminate duplicates Z: 14 19.653 2.025 0.866 0.596 0.923 0.846 CB 1.426 14 residues pruned to eliminate duplicates Z: 17 25.230 2.158 0.589 0.910 0.938 0.875 CB 1.391 17 residues pruned to eliminate duplicates Z: 47 34.111 2.021 0.977 0.498 0.870 0.543 CB 1.450 47 residues pruned to eliminate duplicates Z: 70 41.092 2.216 0.633 0.483 0.899 0.565 CB 1.548 70 residues pruned to eliminate duplicates Z: 9 24.198 2.327 0.944 0.777 1.000 0.875 CB 1.481 9 residues pruned to eliminate duplicates Z: 16 27.258 2.169 0.568 0.914 1.000 0.800 CB 1.463 16 residues pruned to eliminate duplicates Z: 15 30.972 2.150 1.085 0.814 0.857 0.786 CB 1.639 15 residues pruned to eliminate duplicates Z: 16 31.268 2.272 0.371 0.927 1.000 0.933 CA 1.816 16 residues pruned to eliminate duplicates Z: 16 27.271 2.071 0.864 0.805 0.867 0.733 CB 1.612 16 residues pruned to eliminate duplicates Z: 16 18.406 1.900 0.720 0.547 0.933 0.800 CB 1.488 15 residues pruned to eliminate duplicates Z: 35 40.725 2.301 0.728 0.577 0.971 0.765 CB 1.680 35 residues pruned to eliminate duplicates Z: 24 26.166 2.077 1.135 0.487 0.913 0.696 CB 1.365 Z: 77 55.550 2.291 0.828 0.553 0.921 0.658 CB 1.569 78 residues pruned to eliminate duplicates Z: 22 19.704 2.088 0.738 0.400 0.857 0.524 CB 1.535 22 residues pruned to eliminate duplicates Z: 83 59.526 2.264 0.820 0.511 0.951 0.671 CB 1.660 81 residues pruned to eliminate duplicates Z: 9 16.102 2.146 0.648 0.691 0.875 0.875 CB 1.545 9 residues pruned to eliminate duplicates Z: 14 20.128 1.874 0.594 0.882 1.000 0.846 CB 1.352 14 residues pruned to eliminate duplicates Z: 24 22.171 2.218 0.907 0.287 0.826 0.478 CB 1.681 24 residues pruned to eliminate duplicates Z: 15 31.352 2.136 1.117 0.797 0.857 0.571 CB 1.667 15 residues pruned to eliminate duplicates Z: 16 33.765 2.296 0.689 0.909 0.933 0.733 CA 1.710 16 residues pruned to eliminate duplicates Z: 14 31.384 2.178 1.010 0.855 1.000 0.769 CB 1.466 14 residues pruned to eliminate duplicates Z: 14 32.668 2.051 1.156 0.882 1.000 0.846 CB 1.483 14 residues pruned to eliminate duplicates Z: 14 39.826 2.392 0.746 0.938 1.000 1.000 CA 1.839 14 residues pruned to eliminate duplicates Z: 17 32.037 2.280 0.589 0.886 0.938 0.688 CA 1.702 17 residues pruned to eliminate duplicates Z: 10 25.235 2.191 1.111 0.747 1.000 0.778 CB 1.458 10 residues pruned to eliminate duplicates Z: 16 28.487 2.218 0.512 0.941 1.000 0.933 CB 1.522 16 residues pruned to eliminate duplicates Z: 15 32.702 2.337 0.489 0.940 1.000 0.929 CA 1.745 15 residues pruned to eliminate duplicates Z: 13 13.481 1.976 0.851 0.471 0.833 0.750 CB 1.315 Z: 60 47.626 2.312 0.680 0.552 0.898 0.661 CB 1.690 60 residues pruned to eliminate duplicates Z: 17 25.959 2.124 0.526 0.913 1.000 0.812 CB 1.417 17 residues pruned to eliminate duplicates Z: 17 24.573 2.208 0.651 0.820 0.938 0.625 CB 1.362 17 residues pruned to eliminate duplicates Z: 16 32.035 2.224 0.722 0.942 1.000 0.800 CB 1.498 16 residues pruned to eliminate duplicates Z: 6 7.171 1.761 0.319 0.550 1.000 0.400 C 1.314 Z: 8 21.550 1.943 1.175 0.864 1.000 0.857 CB 1.413 Z: 15 34.390 2.364 0.567 0.933 1.000 0.929 CA 1.731 15 residues pruned to eliminate duplicates Z: 17 23.707 2.153 0.756 0.860 0.875 0.750 CB 1.318 17 residues pruned to eliminate duplicates Z: 17 26.706 2.267 0.394 0.908 0.875 0.750 CB 1.715 17 residues pruned to eliminate duplicates Z: 15 28.115 2.295 0.492 0.931 1.000 0.857 CB 1.534 15 residues pruned to eliminate duplicates Z: 93 59.759 2.259 0.711 0.564 0.957 0.674 CB 1.585 60 residues pruned to eliminate duplicates Z: 15 36.232 2.082 1.216 0.872 1.000 0.857 CB 1.530 15 residues pruned to eliminate duplicates Z: 21 21.018 2.213 0.600 0.453 0.850 0.550 CA 1.638 21 residues pruned to eliminate duplicates Z: 27 24.691 2.221 0.514 0.469 0.962 0.577 CB 1.546 27 residues pruned to eliminate duplicates Z: 47 38.583 2.152 0.993 0.541 0.913 0.674 CB 1.396 47 residues pruned to eliminate duplicates Z: 95 67.036 2.280 0.869 0.541 0.936 0.660 CB 1.665 97 residues pruned to eliminate duplicates Z: 15 22.304 2.214 0.465 0.926 0.929 0.357 CB 1.388 15 residues pruned to eliminate duplicates Z: 91 48.770 2.202 0.708 0.481 0.889 0.556 CB 1.567 91 residues pruned to eliminate duplicates Z: 17 32.062 2.218 0.587 0.906 1.000 0.750 CA 1.619 17 residues pruned to eliminate duplicates Z: 94 61.187 2.188 0.806 0.562 0.946 0.613 CB 1.597 94 residues pruned to eliminate duplicates Z: 9 13.489 1.845 1.054 0.753 0.875 0.875 CB 1.147 9 residues pruned to eliminate duplicates Z: 16 23.616 2.259 0.949 0.388 0.933 0.533 CB 1.670 16 residues pruned to eliminate duplicates Z: 15 32.454 2.186 0.966 0.848 0.929 0.714 CB 1.613 15 residues pruned to eliminate duplicates Z: 52 30.452 1.986 0.802 0.509 0.922 0.686 CB 1.281 33 residues pruned to eliminate duplicates Z: 14 35.198 2.332 0.925 0.825 0.923 0.692 CB 1.777 14 residues pruned to eliminate duplicates Z: 92 60.500 2.239 0.765 0.562 0.923 0.637 CB 1.636 92 residues pruned to eliminate duplicates Z: 14 26.851 2.337 0.352 0.920 1.000 1.000 CA 1.660 14 residues pruned to eliminate duplicates Z: 12 31.176 2.432 0.623 0.859 1.000 0.818 CB 1.752 11 residues pruned to eliminate duplicates Z: 83 49.704 2.209 0.704 0.557 0.878 0.646 CB 1.572 83 residues pruned to eliminate duplicates Z: 15 17.177 1.820 0.567 0.893 1.000 0.929 CB 1.155 15 residues pruned to eliminate duplicates Z: 16 27.255 2.280 0.441 0.894 0.933 0.667 CB 1.646 16 residues pruned to eliminate duplicates Z: 18 25.100 2.036 0.625 0.863 0.941 0.647 CB 1.435 18 residues pruned to eliminate duplicates Z: 62 48.067 2.242 0.749 0.532 0.934 0.623 CB 1.627 60 residues pruned to eliminate duplicates Z: 16 12.412 2.023 0.936 0.337 0.800 0.533 CB 1.222 15 residues pruned to eliminate duplicates Z: 15 34.433 2.154 0.888 0.861 1.000 0.857 CB 1.662 15 residues pruned to eliminate duplicates Z: 10 8.668 1.777 1.013 0.460 0.778 0.556 CB 1.081 6 residues pruned to eliminate duplicates Z: 60 49.022 2.297 0.657 0.566 0.915 0.644 CB 1.718 60 residues pruned to eliminate duplicates Z: 11 11.856 1.778 0.753 0.645 0.900 0.700 CB 1.168 11 residues pruned to eliminate duplicates Z: 13 12.898 1.904 0.929 0.488 0.667 0.583 CA 1.540 13 residues pruned to eliminate duplicates Z: 35 31.750 2.043 0.703 0.560 0.971 0.676 CB 1.522 35 residues pruned to eliminate duplicates Z: 13 30.330 2.220 0.837 0.897 1.000 0.917 CA 1.537 15 residues pruned to eliminate duplicates Z: 14 26.032 2.261 0.634 0.842 0.846 0.769 CB 1.721 14 residues pruned to eliminate duplicates Z: 16 30.907 2.277 0.359 0.929 1.000 0.733 CB 1.805 16 residues pruned to eliminate duplicates Z: 9 22.274 2.205 0.790 0.804 1.000 0.750 CB 1.530 9 residues pruned to eliminate duplicates Z: 16 31.662 2.149 0.917 0.926 1.000 0.867 CB 1.391 16 residues pruned to eliminate duplicates Z: 82 60.259 2.270 0.772 0.524 0.963 0.654 CB 1.689 82 residues pruned to eliminate duplicates Z: 93 56.738 2.206 0.696 0.543 0.924 0.685 CB 1.641 93 residues pruned to eliminate duplicates Z: 41 33.301 2.136 0.707 0.480 0.925 0.725 CB 1.593 41 residues pruned to eliminate duplicates Z: 10 6.967 1.672 0.950 0.240 0.778 0.333 CB 1.238 Z: 34 25.694 2.128 0.531 0.581 0.909 0.727 CB 1.398 34 residues pruned to eliminate duplicates Z: 24 27.273 2.196 0.929 0.496 0.957 0.652 CB 1.409 24 residues pruned to eliminate duplicates Z: 35 37.458 2.272 0.611 0.563 0.971 0.676 CB 1.701 35 residues pruned to eliminate duplicates Z: 7 6.769 1.859 0.398 0.328 1.000 0.667 CB 1.284 Z: 45 39.463 2.191 0.775 0.549 0.955 0.818 CB 1.528 45 residues pruned to eliminate duplicates Z: 23 32.244 2.172 1.124 0.449 0.955 0.727 CB 1.645 23 residues pruned to eliminate duplicates Z: 14 26.806 2.187 0.558 0.893 0.923 0.692 CA 1.697 14 residues pruned to eliminate duplicates Z: 13 29.898 2.270 0.926 0.828 0.917 0.833 CB 1.622 12 residues pruned to eliminate duplicates Z: 15 37.107 2.367 0.799 0.947 0.929 0.857 CA 1.733 15 residues pruned to eliminate duplicates Z: 18 20.029 1.950 0.724 0.567 1.000 0.824 CB 1.354 19 residues pruned to eliminate duplicates Z: 15 40.692 2.379 0.874 0.950 0.929 0.786 CA 1.812 15 residues pruned to eliminate duplicates Z: 81 57.484 2.285 0.763 0.516 0.913 0.613 CB 1.722 81 residues pruned to eliminate duplicates Z: 14 18.851 1.910 0.603 0.832 1.000 0.846 CA 1.282 14 residues pruned to eliminate duplicates Z: 29 22.441 2.134 0.703 0.480 0.893 0.714 CB 1.335 30 residues pruned to eliminate duplicates Z: 14 18.921 2.009 0.528 0.619 1.000 0.769 CB 1.528 14 residues pruned to eliminate duplicates Z: 13 21.548 2.151 0.574 0.814 0.917 0.667 CB 1.526 13 residues pruned to eliminate duplicates Z: 19 14.718 2.037 0.735 0.392 0.889 0.556 CB 1.238 19 residues pruned to eliminate duplicates Z: 12 16.278 2.140 0.682 0.487 0.909 0.545 CA 1.519 11 residues pruned to eliminate duplicates Z: 44 30.985 2.099 0.688 0.540 0.907 0.674 CB 1.414 44 residues pruned to eliminate duplicates Z: 31 29.452 2.051 0.718 0.569 1.000 0.833 CB 1.428 31 residues pruned to eliminate duplicates Z: 69 46.871 2.247 0.792 0.516 0.868 0.603 CB 1.601 75 residues pruned to eliminate duplicates Z: 25 15.418 2.051 0.671 0.467 0.833 0.542 CB 1.140 25 residues pruned to eliminate duplicates Z: 37 40.957 2.238 0.951 0.604 0.889 0.583 CA 1.594 37 residues pruned to eliminate duplicates Z: 16 26.279 2.174 0.613 0.912 0.933 0.733 CB 1.469 16 residues pruned to eliminate duplicates Z: 35 42.957 2.301 0.794 0.590 0.971 0.735 CB 1.687 35 residues pruned to eliminate duplicates Z: 15 20.848 2.020 0.819 0.551 0.929 0.786 CB 1.553 16 residues pruned to eliminate duplicates Z: 18 17.348 2.135 0.706 0.486 0.882 0.588 CB 1.328 18 residues pruned to eliminate duplicates Z: 68 48.898 2.245 0.761 0.542 0.896 0.701 CA 1.620 97 residues pruned to eliminate duplicates Z: 16 22.495 2.172 0.356 0.923 1.000 0.867 CB 1.386 16 residues pruned to eliminate duplicates Z: 15 19.284 1.832 0.608 0.869 1.000 0.786 CB 1.278 15 residues pruned to eliminate duplicates Z: 15 8.449 1.976 0.296 0.255 0.857 0.429 CB 1.362 15 residues pruned to eliminate duplicates Z: 17 29.214 2.197 0.663 0.911 0.875 0.750 CA 1.620 17 residues pruned to eliminate duplicates Z: 53 40.907 2.206 0.619 0.575 0.923 0.577 CB 1.600 53 residues pruned to eliminate duplicates Z: 94 56.402 2.229 0.725 0.538 0.957 0.667 CB 1.531 49 residues pruned to eliminate duplicates Z: 51 43.846 2.280 0.700 0.484 0.960 0.580 CB 1.694 51 residues pruned to eliminate duplicates Z: 71 49.317 2.208 0.899 0.528 0.914 0.686 CB 1.496 47 residues pruned to eliminate duplicates Z: 11 9.853 2.085 0.847 0.348 0.900 0.600 CB 1.061 Z: 93 58.179 2.226 0.695 0.551 0.935 0.674 CB 1.636 93 residues pruned to eliminate duplicates Z: 41 43.141 2.336 0.809 0.555 0.900 0.500 CB 1.700 41 residues pruned to eliminate duplicates Z: 17 21.424 2.016 0.558 0.903 0.938 0.625 CB 1.296 17 residues pruned to eliminate duplicates Z: 16 25.813 2.169 0.668 0.939 0.933 0.867 CB 1.371 16 residues pruned to eliminate duplicates Z: 16 7.911 1.952 0.569 0.337 0.800 0.600 CB 0.996 16 residues pruned to eliminate duplicates Z: 89 53.997 2.231 0.865 0.500 0.909 0.580 CB 1.523 100 residues pruned to eliminate duplicates Z: 14 17.066 1.811 0.545 0.872 0.923 0.923 CB 1.336 14 residues pruned to eliminate duplicates Z: 25 22.466 2.122 0.874 0.485 0.917 0.708 CB 1.277 25 residues pruned to eliminate duplicates Z: 11 12.832 2.023 1.022 0.662 0.800 0.800 CB 1.067 10 residues pruned to eliminate duplicates Z: 35 32.618 2.082 0.779 0.575 0.941 0.794 CB 1.493 35 residues pruned to eliminate duplicates Z: 27 24.767 2.075 0.789 0.476 0.962 0.615 CB 1.394 24 residues pruned to eliminate duplicates Z: 91 59.186 2.266 0.719 0.546 0.944 0.689 CB 1.622 92 residues pruned to eliminate duplicates Z: 14 19.480 1.793 0.752 0.853 1.000 0.846 CB 1.271 14 residues pruned to eliminate duplicates Z: 14 22.260 1.952 0.796 0.825 1.000 0.769 CB 1.330 14 residues pruned to eliminate duplicates Z: 15 37.240 2.320 0.680 0.924 1.000 0.643 CA 1.793 15 residues pruned to eliminate duplicates Z: 21 21.795 1.983 0.723 0.548 0.950 0.650 CA 1.432 21 residues pruned to eliminate duplicates Z: 12 28.264 2.241 0.842 0.828 1.000 0.727 CB 1.554 13 residues pruned to eliminate duplicates Z: 20 28.180 2.291 1.040 0.455 0.842 0.684 CB 1.719 20 residues pruned to eliminate duplicates Z: 43 42.322 2.263 0.858 0.571 0.905 0.786 CB 1.604 43 residues pruned to eliminate duplicates Z: 81 48.870 2.132 0.848 0.478 0.913 0.525 CA 1.555 81 residues pruned to eliminate duplicates Z: 84 52.152 2.195 0.699 0.519 0.940 0.627 CB 1.604 84 residues pruned to eliminate duplicates Z: 12 12.669 1.872 0.833 0.467 0.818 0.727 CB 1.407 12 residues pruned to eliminate duplicates Z: 94 56.214 2.206 0.702 0.547 0.903 0.634 CB 1.641 94 residues pruned to eliminate duplicates Z: 95 58.649 2.244 0.680 0.564 0.957 0.638 CB 1.576 95 residues pruned to eliminate duplicates Z: 16 35.030 2.269 0.571 0.937 1.000 0.600 CB 1.766 16 residues pruned to eliminate duplicates Z: 36 26.203 2.057 0.588 0.552 0.943 0.686 CB 1.366 36 residues pruned to eliminate duplicates Z: 28 30.745 2.169 1.084 0.535 0.926 0.778 CB 1.366 28 residues pruned to eliminate duplicates Z: 15 9.361 2.008 0.405 0.339 0.857 0.643 CB 1.234 16 residues pruned to eliminate duplicates Z: 14 19.451 1.939 0.830 0.825 0.923 0.846 CB 1.243 14 residues pruned to eliminate duplicates Z: 10 5.470 1.752 0.692 0.243 0.667 0.444 CB 1.241 Z: 30 23.435 2.176 0.706 0.445 0.931 0.621 CB 1.332 30 residues pruned to eliminate duplicates Z: 9 15.664 2.095 0.866 0.544 0.875 0.625 N 1.551 9 residues pruned to eliminate duplicates Z: 14 30.893 2.260 0.533 0.901 1.000 1.000 CB 1.766 14 residues pruned to eliminate duplicates Z: 25 27.431 2.244 0.859 0.523 0.792 0.542 CA 1.657 25 residues pruned to eliminate duplicates Z: 36 29.949 2.029 0.863 0.590 0.914 0.771 CB 1.344 35 residues pruned to eliminate duplicates Z: 93 59.742 2.274 0.713 0.554 0.967 0.652 CB 1.568 92 residues pruned to eliminate duplicates Z: 9 16.180 2.004 0.990 0.623 1.000 0.750 CB 1.277 9 residues pruned to eliminate duplicates Z: 18 21.982 2.098 0.552 0.856 0.882 0.765 CB 1.368 18 residues pruned to eliminate duplicates Z: 98 50.259 2.201 0.699 0.479 0.907 0.639 CB 1.536 86 residues pruned to eliminate duplicates Z: 17 28.207 2.171 0.506 0.891 0.938 0.750 CB 1.654 17 residues pruned to eliminate duplicates Z: 14 12.359 1.717 0.477 0.897 0.846 0.846 CB 1.143 14 residues pruned to eliminate duplicates Z: 11 35.663 2.389 1.048 0.925 1.000 0.900 CB 1.617 11 residues pruned to eliminate duplicates Z: 59 49.663 2.304 0.681 0.577 0.931 0.655 CB 1.679 59 residues pruned to eliminate duplicates Z: 16 26.424 2.185 0.508 0.904 1.000 0.800 CB 1.475 16 residues pruned to eliminate duplicates Z: 14 30.459 2.131 1.021 0.877 1.000 0.923 CA 1.424 14 residues pruned to eliminate duplicates Z: 87 53.414 2.238 0.838 0.512 0.907 0.628 CB 1.525 87 residues pruned to eliminate duplicates Z: 36 32.911 2.056 0.747 0.554 0.971 0.714 CB 1.513 36 residues pruned to eliminate duplicates Z: 17 25.583 2.129 0.353 0.893 1.000 0.688 CB 1.594 17 residues pruned to eliminate duplicates Z: 15 13.978 1.854 0.678 0.529 0.929 0.714 CB 1.256 Z: 16 14.490 1.882 1.026 0.350 0.800 0.467 CB 1.443 16 residues pruned to eliminate duplicates Z: 109 66.090 2.243 0.821 0.533 0.954 0.639 CB 1.581 109 residues pruned to eliminate duplicates Z: 64 50.141 2.298 0.759 0.522 0.952 0.651 CB 1.606 64 residues pruned to eliminate duplicates Z: 20 14.830 1.969 0.786 0.341 0.842 0.526 CB 1.366 18 residues pruned to eliminate duplicates Z: 14 22.603 1.954 0.798 0.846 1.000 0.692 CB 1.326 14 residues pruned to eliminate duplicates Z: 23 24.414 2.132 0.873 0.456 0.955 0.773 CB 1.428 23 residues pruned to eliminate duplicates Z: 33 44.284 2.290 0.949 0.598 0.969 0.719 CB 1.648 33 residues pruned to eliminate duplicates Z: 35 36.778 2.283 0.670 0.598 0.912 0.676 CB 1.652 35 residues pruned to eliminate duplicates Z: 12 30.608 2.269 1.089 0.849 0.909 0.636 CA 1.587 12 residues pruned to eliminate duplicates Z: 21 15.800 1.855 0.548 0.543 0.950 0.750 CB 1.242 15 residues pruned to eliminate duplicates Z: 16 29.812 2.188 0.712 0.929 1.000 0.600 CB 1.438 16 residues pruned to eliminate duplicates Z: 14 23.705 1.935 0.995 0.849 1.000 0.923 CB 1.262 14 residues pruned to eliminate duplicates Z: 95 59.405 2.238 0.751 0.555 0.957 0.713 CB 1.548 95 residues pruned to eliminate duplicates Z: 16 37.146 2.261 0.763 0.910 1.000 0.733 CA 1.707 16 residues pruned to eliminate duplicates Z: 12 12.913 1.966 0.734 0.486 0.909 0.818 CB 1.274 12 residues pruned to eliminate duplicates Z: 14 23.745 1.979 0.891 0.850 1.000 0.769 CB 1.303 14 residues pruned to eliminate duplicates Z: 40 40.136 2.267 0.725 0.578 0.923 0.590 CB 1.651 40 residues pruned to eliminate duplicates Z: 18 6.701 2.011 0.345 0.295 0.824 0.588 CB 0.917 18 residues pruned to eliminate duplicates Z: 10 16.376 2.097 0.762 0.687 0.889 0.778 CB 1.401 10 residues pruned to eliminate duplicates Z: 15 17.176 1.764 0.843 0.796 0.929 0.857 CB 1.173 15 residues pruned to eliminate duplicates Z: 17 9.649 1.875 0.586 0.322 0.688 0.500 CB 1.435 17 residues pruned to eliminate duplicates Z: 34 30.115 2.208 0.676 0.541 0.909 0.576 CB 1.496 34 residues pruned to eliminate duplicates Z: 15 21.953 1.873 0.871 0.884 1.000 1.000 CB 1.210 15 residues pruned to eliminate duplicates Z: 37 43.567 2.196 0.955 0.628 0.972 0.722 CA 1.543 37 residues pruned to eliminate duplicates Z: 34 30.246 2.036 0.704 0.582 0.939 0.667 CB 1.494 34 residues pruned to eliminate duplicates Z: 6 8.848 1.684 0.667 0.686 1.000 0.600 CA 1.189 6 residues pruned to eliminate duplicates Z: 93 50.270 2.234 0.815 0.477 0.891 0.587 CB 1.484 93 residues pruned to eliminate duplicates Z: 16 20.847 2.168 0.602 0.454 1.000 0.667 CB 1.625 16 residues pruned to eliminate duplicates Z: 25 19.250 2.008 0.543 0.404 1.000 0.583 CB 1.403 25 residues pruned to eliminate duplicates Z: 24 22.927 2.092 1.070 0.457 0.826 0.696 CB 1.397 24 residues pruned to eliminate duplicates Z: 14 23.268 1.900 0.980 0.882 1.000 0.846 CB 1.242 14 residues pruned to eliminate duplicates Z: 10 21.343 2.163 0.658 0.801 1.000 1.000 CB 1.525 10 residues pruned to eliminate duplicates Z: 16 21.958 1.922 0.821 0.666 1.000 0.800 CB 1.390 15 residues pruned to eliminate duplicates Z: 15 22.639 1.811 0.897 0.864 1.000 1.000 CB 1.291 15 residues pruned to eliminate duplicates Z: 16 32.415 2.339 0.509 0.911 0.933 0.933 CB 1.801 16 residues pruned to eliminate duplicates Z: 31 22.201 2.164 0.784 0.429 0.900 0.667 CB 1.256 31 residues pruned to eliminate duplicates Z: 15 20.983 1.845 0.900 0.819 1.000 0.714 CA 1.213 15 residues pruned to eliminate duplicates Z: 34 26.929 2.077 0.656 0.594 0.939 0.818 CB 1.327 34 residues pruned to eliminate duplicates Z: 15 24.115 2.303 0.246 0.885 1.000 0.571 CB 1.621 15 residues pruned to eliminate duplicates Z: 14 21.104 1.897 0.784 0.877 1.000 0.692 CB 1.257 14 residues pruned to eliminate duplicates Z: 57 37.820 2.172 0.785 0.494 0.875 0.714 CB 1.499 57 residues pruned to eliminate duplicates Z: 30 21.028 2.011 0.791 0.432 0.862 0.552 CB 1.349 30 residues pruned to eliminate duplicates Z: 8 3.523 1.581 -0.031 0.494 0.714 0.571 CB 1.224 Z: 17 21.517 2.053 0.321 0.908 0.938 0.812 CB 1.502 17 residues pruned to eliminate duplicates Z: 11 17.820 2.006 0.820 0.550 1.000 0.800 CB 1.471 11 residues pruned to eliminate duplicates Z: 27 24.716 2.264 0.787 0.373 0.846 0.615 CB 1.622 27 residues pruned to eliminate duplicates Z: 10 15.358 1.986 0.595 0.583 1.000 0.667 CA 1.492 Z: 9 15.338 1.707 0.983 0.860 1.000 0.750 CB 1.177 9 residues pruned to eliminate duplicates Z: 14 28.209 2.131 0.810 0.916 1.000 0.769 CB 1.433 14 residues pruned to eliminate duplicates Z: 12 16.515 1.930 0.559 0.641 1.000 0.818 CB 1.450 12 residues pruned to eliminate duplicates Z: 25 20.939 2.165 0.672 0.423 0.917 0.708 CB 1.395 25 residues pruned to eliminate duplicates Z: 7 7.928 1.838 0.629 0.549 0.833 0.667 CA 1.236 7 residues pruned to eliminate duplicates Z: 13 11.508 1.962 0.756 0.446 0.750 0.750 CB 1.359 13 residues pruned to eliminate duplicates Z: 16 24.657 2.192 1.024 0.444 1.000 0.667 CB 1.519 16 residues pruned to eliminate duplicates Z: 6 7.454 2.043 0.329 0.529 0.800 0.600 CA 1.491 6 residues pruned to eliminate duplicates Z: 28 25.876 2.143 0.805 0.491 0.926 0.741 CB 1.402 28 residues pruned to eliminate duplicates Z: 17 18.743 2.078 0.135 0.896 0.938 0.875 CB 1.519 17 residues pruned to eliminate duplicates Z: 13 24.127 1.870 1.082 0.881 1.000 0.917 CB 1.296 13 residues pruned to eliminate duplicates Z: 18 22.199 2.072 0.678 0.438 0.941 0.529 CA 1.755 28 residues pruned to eliminate duplicates Z: 8 21.111 2.289 0.846 0.780 1.000 0.857 CB 1.476 8 residues pruned to eliminate duplicates Z: 9 10.044 1.760 0.871 0.574 0.875 0.750 CB 1.148 9 residues pruned to eliminate duplicates Z: 10 16.274 2.052 0.828 0.646 0.889 0.889 CB 1.419 10 residues pruned to eliminate duplicates Z: 27 19.901 2.152 0.698 0.317 0.923 0.538 CB 1.416 27 residues pruned to eliminate duplicates Z: 6 7.369 1.781 0.672 0.708 1.000 0.800 CB 0.916 Z: 21 16.250 1.951 0.810 0.442 0.800 0.650 CB 1.365 21 residues pruned to eliminate duplicates Z: 16 17.985 1.948 0.681 0.623 0.933 0.800 CB 1.352 16 residues pruned to eliminate duplicates Z: 13 20.994 2.007 0.930 0.878 1.000 0.833 CB 1.135 13 residues pruned to eliminate duplicates Z: 13 9.768 1.814 0.709 0.443 0.833 0.583 CB 1.157 11 residues pruned to eliminate duplicates Z: 10 8.819 1.855 0.447 0.293 1.000 0.444 CA 1.382 10 residues pruned to eliminate duplicates Z: 81 58.183 2.309 0.716 0.524 0.938 0.675 CB 1.711 81 residues pruned to eliminate duplicates Z: 20 14.089 1.858 0.486 0.451 0.842 0.684 CB 1.462 20 residues pruned to eliminate duplicates Z: 14 15.647 1.891 0.420 0.857 1.000 0.846 CA 1.191 14 residues pruned to eliminate duplicates Z: 7 4.773 1.656 0.262 0.395 1.000 0.667 N 1.042 Z: 54 39.898 2.276 0.553 0.550 0.887 0.679 CB 1.666 54 residues pruned to eliminate duplicates Z: 79 62.639 2.313 0.869 0.543 0.910 0.731 CB 1.728 79 residues pruned to eliminate duplicates Z: 48 36.348 2.207 0.715 0.569 0.872 0.638 CA 1.503 48 residues pruned to eliminate duplicates Z: 65 42.345 2.188 0.736 0.530 0.922 0.531 CB 1.468 65 residues pruned to eliminate duplicates Z: 8 4.349 1.497 -0.031 0.620 1.000 0.571 CB 1.013 Z: 12 30.891 2.324 1.044 0.916 1.000 0.818 CA 1.384 12 residues pruned to eliminate duplicates Z: 14 24.122 1.897 0.875 0.888 1.000 0.923 CB 1.356 14 residues pruned to eliminate duplicates Z: 14 23.520 1.939 0.927 0.838 1.000 0.692 CA 1.305 14 residues pruned to eliminate duplicates Z: 15 36.229 2.380 0.787 0.922 0.929 0.786 CA 1.724 15 residues pruned to eliminate duplicates Z: 36 36.146 2.268 0.623 0.531 0.971 0.600 CA 1.656 36 residues pruned to eliminate duplicates Z: 23 20.899 2.144 0.693 0.475 0.955 0.636 CB 1.320 23 residues pruned to eliminate duplicates Z: 54 41.503 2.244 0.643 0.562 0.887 0.642 CA 1.642 54 residues pruned to eliminate duplicates Z: 77 56.001 2.284 0.820 0.549 0.947 0.724 CB 1.555 77 residues pruned to eliminate duplicates Z: 17 10.964 2.016 0.604 0.426 0.750 0.625 CB 1.221 17 residues pruned to eliminate duplicates Z: 14 10.385 1.755 0.591 0.365 0.923 0.462 CA 1.292 14 residues pruned to eliminate duplicates Z: 14 14.686 1.800 0.483 0.908 1.000 0.923 CB 1.084 14 residues pruned to eliminate duplicates Z: 13 20.416 2.219 0.666 0.537 1.000 1.000 CB 1.537 14 residues pruned to eliminate duplicates Z: 11 8.763 1.804 0.662 0.392 0.900 0.800 CB 1.152 17 residues pruned to eliminate duplicates Z: 11 7.407 1.729 0.744 0.438 0.900 0.600 CB 0.919 11 residues pruned to eliminate duplicates Z: 93 59.182 2.218 0.773 0.539 0.924 0.609 CB 1.635 93 residues pruned to eliminate duplicates Z: 13 39.001 2.201 1.117 0.932 1.000 0.833 CB 1.686 13 residues pruned to eliminate duplicates Z: 44 42.292 2.242 0.791 0.559 0.977 0.605 CA 1.553 44 residues pruned to eliminate duplicates Z: 61 53.025 2.289 0.728 0.570 0.950 0.650 CB 1.702 61 residues pruned to eliminate duplicates Z: 12 11.970 1.684 0.909 0.504 0.909 0.545 CB 1.230 12 residues pruned to eliminate duplicates Z: 15 24.259 2.094 0.711 0.828 0.929 0.643 CB 1.468 15 residues pruned to eliminate duplicates Z: 7 3.815 1.761 -0.044 0.400 0.833 0.667 CB 1.233 6 residues pruned to eliminate duplicates Z: 60 33.695 2.153 0.567 0.489 0.881 0.542 CB 1.492 60 residues pruned to eliminate duplicates Z: 51 40.180 2.128 0.819 0.511 0.920 0.700 CB 1.578 51 residues pruned to eliminate duplicates Z: 16 10.050 2.026 0.401 0.276 0.867 0.467 CB 1.358 16 residues pruned to eliminate duplicates Z: 41 48.993 2.344 0.962 0.573 0.925 0.650 CB 1.698 41 residues pruned to eliminate duplicates Z: 20 26.781 2.218 0.820 0.600 0.789 0.632 CB 1.752 20 residues pruned to eliminate duplicates Z: 13 22.332 2.187 0.876 0.532 0.917 0.667 CA 1.662 13 residues pruned to eliminate duplicates Z: 10 17.070 1.925 0.872 0.765 0.889 0.889 CA 1.404 10 residues pruned to eliminate duplicates Z: 7 2.816 1.347 0.152 0.284 0.833 0.333 N 1.134 Z: 6 6.551 1.617 0.290 0.571 1.000 1.000 O 1.311 6 residues pruned to eliminate duplicates Z: 14 18.357 2.102 0.696 0.413 0.923 0.769 CB 1.694 14 residues pruned to eliminate duplicates Z: 10 7.802 1.751 0.374 0.447 0.778 0.333 CB 1.468 Z: 121 58.637 2.218 0.762 0.518 0.900 0.683 CB 1.496 121 residues pruned to eliminate duplicates Z: 48 45.403 2.310 0.568 0.570 1.000 0.681 CB 1.709 48 residues pruned to eliminate duplicates Z: 6 2.829 1.267 0.245 0.776 1.000 0.600 CB 0.628 6 residues pruned to eliminate duplicates Z: 6 4.807 1.425 0.257 0.538 1.000 0.600 CB 1.156 Z: 23 26.581 2.089 0.751 0.638 0.955 0.591 CB 1.427 23 residues pruned to eliminate duplicates Z: 10 5.900 1.639 0.336 0.389 0.778 0.667 CB 1.299 9 residues pruned to eliminate duplicates Z: 33 19.950 2.041 0.723 0.442 0.844 0.562 CB 1.262 33 residues pruned to eliminate duplicates Z: 12 30.174 2.125 1.127 0.856 1.000 0.909 CB 1.484 12 residues pruned to eliminate duplicates Z: 63 49.968 2.320 0.673 0.531 0.919 0.661 CB 1.725 63 residues pruned to eliminate duplicates Z: 14 21.958 1.968 0.737 0.852 1.000 0.846 CB 1.318 14 residues pruned to eliminate duplicates Z: 20 30.268 2.211 1.143 0.495 0.895 0.789 CB 1.647 20 residues pruned to eliminate duplicates Z: 9 10.549 1.945 0.611 0.423 1.000 0.500 CB 1.289 9 residues pruned to eliminate duplicates Z: 7 5.183 1.634 0.406 0.512 0.833 0.500 CA 1.092 7 residues pruned to eliminate duplicates Z: 6 3.991 1.662 -0.034 0.608 0.800 0.600 O 1.254 Z: 15 28.615 2.268 0.524 0.918 1.000 0.786 CB 1.560 15 residues pruned to eliminate duplicates Z: 46 36.699 2.116 0.823 0.504 0.911 0.667 CB 1.550 46 residues pruned to eliminate duplicates Z: 15 27.596 2.338 0.457 0.886 0.929 0.857 CA 1.682 15 residues pruned to eliminate duplicates Z: 51 40.516 2.235 0.683 0.468 0.940 0.640 CB 1.673 51 residues pruned to eliminate duplicates Z: 10 11.633 1.794 0.518 0.450 1.000 0.556 CB 1.498 10 residues pruned to eliminate duplicates Z: 10 18.857 2.039 0.964 0.637 1.000 0.778 CA 1.381 10 residues pruned to eliminate duplicates Z: 7 3.106 1.543 0.598 0.443 0.833 0.667 CB 0.655 Z: 16 26.268 2.200 0.434 0.919 1.000 0.867 CB 1.515 16 residues pruned to eliminate duplicates Z: 14 43.408 2.239 1.209 0.826 1.000 0.692 CB 1.835 14 residues pruned to eliminate duplicates Z: 82 53.994 2.251 0.703 0.547 0.938 0.642 CB 1.593 82 residues pruned to eliminate duplicates Z: 8 15.707 1.934 0.505 0.795 1.000 1.000 CA 1.575 8 residues pruned to eliminate duplicates Z: 26 34.722 2.233 0.834 0.519 0.960 0.640 CB 1.733 26 residues pruned to eliminate duplicates Z: 28 24.405 2.044 0.964 0.496 0.889 0.704 CB 1.321 28 residues pruned to eliminate duplicates Z: 90 63.837 2.296 0.825 0.517 0.944 0.708 CB 1.681 90 residues pruned to eliminate duplicates Z: 47 43.300 2.251 0.831 0.493 0.913 0.413 CB 1.708 47 residues pruned to eliminate duplicates Z: 8 5.212 1.518 0.571 0.436 0.857 0.714 CB 1.029 8 residues pruned to eliminate duplicates Z: 12 31.427 2.227 0.896 0.898 1.000 0.818 CB 1.606 12 residues pruned to eliminate duplicates Z: 40 35.998 2.143 0.881 0.579 0.923 0.821 CB 1.436 40 residues pruned to eliminate duplicates Z: 36 41.101 2.212 0.801 0.637 0.971 0.829 CA 1.579 36 residues pruned to eliminate duplicates Z: 57 44.433 2.249 0.738 0.482 0.911 0.625 CA 1.699 57 residues pruned to eliminate duplicates Z: 35 31.544 2.067 0.868 0.565 0.971 0.706 CB 1.355 35 residues pruned to eliminate duplicates Z: 53 41.923 2.167 0.809 0.532 0.942 0.692 CB 1.525 52 residues pruned to eliminate duplicates Z: 21 36.537 2.313 0.800 0.631 1.000 0.650 CB 1.735 21 residues pruned to eliminate duplicates Z: 8 18.478 2.158 0.800 0.554 1.000 0.714 CA 1.706 8 residues pruned to eliminate duplicates Z: 15 19.770 2.167 0.654 0.580 0.929 0.714 CA 1.470 15 residues pruned to eliminate duplicates Z: 14 22.154 1.903 0.863 0.863 1.000 0.538 CB 1.272 14 residues pruned to eliminate duplicates Z: 12 19.147 2.084 0.643 0.543 0.909 0.636 CB 1.778 12 residues pruned to eliminate duplicates Z: 61 52.769 2.259 0.879 0.541 0.933 0.650 CB 1.652 61 residues pruned to eliminate duplicates Z: 14 16.868 1.683 0.731 0.929 1.000 0.923 CB 1.124 14 residues pruned to eliminate duplicates Z: 12 13.904 1.871 0.385 0.918 1.000 0.818 CB 1.141 12 residues pruned to eliminate duplicates Z: 46 44.487 2.231 0.834 0.574 0.956 0.733 CB 1.579 46 residues pruned to eliminate duplicates Z: 15 21.407 1.967 0.804 0.526 1.000 0.786 CA 1.571 15 residues pruned to eliminate duplicates Z: 34 28.109 2.151 0.556 0.512 0.909 0.545 CB 1.590 34 residues pruned to eliminate duplicates Z: 10 3.699 1.597 0.633 0.598 0.889 0.778 N 0.484 Z: 6 13.805 2.086 0.682 0.649 1.000 1.000 CA 1.532 6 residues pruned to eliminate duplicates Z: 11 21.297 2.408 0.498 0.842 0.800 0.800 CB 1.740 11 residues pruned to eliminate duplicates Z: 62 42.050 2.267 0.579 0.539 0.852 0.623 CB 1.697 62 residues pruned to eliminate duplicates Z: 6 2.276 1.326 0.585 0.473 0.800 0.800 CB 0.622 Z: 60 51.370 2.341 0.717 0.555 0.932 0.661 CB 1.692 60 residues pruned to eliminate duplicates Z: 7 3.699 1.595 -0.092 0.545 0.833 0.667 CB 1.196 Z: 43 39.185 2.128 0.751 0.632 0.952 0.690 CA 1.506 43 residues pruned to eliminate duplicates Z: 42 36.618 2.279 0.635 0.470 0.927 0.488 CA 1.707 42 residues pruned to eliminate duplicates Z: 82 65.472 2.251 0.940 0.564 0.963 0.605 CB 1.625 82 residues pruned to eliminate duplicates Z: 9 4.416 1.586 0.084 0.428 1.000 0.750 CB 0.978 Z: 18 19.050 2.011 0.498 0.868 0.882 0.882 CB 1.271 18 residues pruned to eliminate duplicates Z: 14 28.880 2.151 0.926 0.839 1.000 0.692 CA 1.444 14 residues pruned to eliminate duplicates Z: 10 17.171 2.148 0.345 0.858 1.000 1.000 CA 1.459 10 residues pruned to eliminate duplicates Z: 33 31.859 2.021 0.910 0.580 0.906 0.656 CB 1.490 33 residues pruned to eliminate duplicates Z: 15 26.294 2.049 1.007 0.658 1.000 0.857 CB 1.476 15 residues pruned to eliminate duplicates Z: 16 15.917 1.811 0.449 0.889 0.933 0.733 CB 1.208 16 residues pruned to eliminate duplicates Z: 25 22.548 2.232 0.756 0.527 0.875 0.792 CB 1.308 25 residues pruned to eliminate duplicates Z: 9 2.700 1.507 0.078 0.484 0.875 0.500 CB 0.683 9 residues pruned to eliminate duplicates Z: 25 35.533 2.172 0.670 0.689 1.000 0.667 CB 1.682 25 residues pruned to eliminate duplicates Z: 10 20.121 2.153 0.640 0.713 1.000 1.000 CB 1.566 12 residues pruned to eliminate duplicates Z: 33 35.245 2.030 0.905 0.597 0.969 0.719 CB 1.517 33 residues pruned to eliminate duplicates Z: 15 8.562 1.722 0.434 0.330 0.786 0.429 C 1.421 15 residues pruned to eliminate duplicates Z: 23 20.630 2.055 0.703 0.573 0.909 0.727 CB 1.288 23 residues pruned to eliminate duplicates Z: 14 20.081 1.840 0.929 0.863 1.000 0.308 CB 1.151 14 residues pruned to eliminate duplicates Z: 79 58.426 2.296 0.820 0.541 0.936 0.667 CB 1.626 79 residues pruned to eliminate duplicates Z: 50 49.918 2.297 0.870 0.587 0.878 0.694 CB 1.739 10 residues pruned to eliminate duplicates Z: 12 18.303 2.041 0.870 0.595 0.909 0.636 CB 1.453 12 residues pruned to eliminate duplicates Z: 77 51.551 2.175 0.793 0.512 0.934 0.618 CB 1.603 77 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 16 11.282 1.889 0.634 0.360 0.733 0.400 CB 1.497 16 residues pruned to eliminate duplicates Z: 15 14.469 1.979 0.813 0.500 0.857 0.571 CB 1.258 15 residues pruned to eliminate duplicates Z: 10 18.289 2.185 1.050 0.678 0.889 0.889 CB 1.300 10 residues pruned to eliminate duplicates Z: 12 14.801 1.951 0.865 0.641 0.818 0.545 CB 1.314 12 residues pruned to eliminate duplicates Z: 9 22.420 2.223 1.132 0.737 0.875 0.875 CA 1.545 9 residues pruned to eliminate duplicates Z: 14 17.140 1.997 0.808 0.534 0.923 0.538 CB 1.380 14 residues pruned to eliminate duplicates Z: 16 13.087 1.835 0.677 0.518 0.867 0.600 CB 1.245 16 residues pruned to eliminate duplicates Z: 8 5.737 1.780 0.764 0.327 0.857 0.714 CB 0.975 8 residues pruned to eliminate duplicates Z: 9 6.301 1.750 0.353 0.488 1.000 0.625 CB 0.952 9 residues pruned to eliminate duplicates Z: 17 13.336 1.797 0.657 0.492 0.875 0.750 CB 1.291 9 residues pruned to eliminate duplicates Z: 6 5.716 1.684 0.611 0.387 0.800 0.600 CA 1.328 6 residues pruned to eliminate duplicates Z: 34 33.587 2.012 0.815 0.568 0.970 0.727 CB 1.546 50 residues pruned to eliminate duplicates Z: 54 44.161 2.171 0.738 0.524 0.962 0.660 CB 1.632 54 residues pruned to eliminate duplicates Z: 52 43.965 2.152 0.830 0.536 0.941 0.725 CB 1.603 52 residues pruned to eliminate duplicates Z: 94 58.353 2.232 0.688 0.555 0.914 0.710 CB 1.666 94 residues pruned to eliminate duplicates Z: 93 60.100 2.229 0.768 0.549 0.935 0.652 CB 1.622 93 residues pruned to eliminate duplicates Z: 93 60.936 2.226 0.773 0.552 0.935 0.696 CB 1.637 93 residues pruned to eliminate duplicates Z: 80 49.632 2.196 0.643 0.522 0.937 0.620 CB 1.616 80 residues pruned to eliminate duplicates Z: 20 20.161 2.144 0.679 0.405 0.895 0.579 CA 1.588 20 residues pruned to eliminate duplicates Z: 94 58.212 2.216 0.741 0.550 0.914 0.688 CB 1.630 94 residues pruned to eliminate duplicates Z: 33 33.087 2.062 0.768 0.560 0.969 0.750 CB 1.562 33 residues pruned to eliminate duplicates Z: 66 50.272 2.192 0.766 0.575 0.954 0.677 CB 1.572 66 residues pruned to eliminate duplicates Z: 93 61.361 2.243 0.739 0.539 0.957 0.652 CB 1.650 93 residues pruned to eliminate duplicates Z: 34 35.313 2.071 0.850 0.577 0.970 0.818 CB 1.536 34 residues pruned to eliminate duplicates Z: 37 30.328 1.991 0.866 0.498 0.917 0.694 CB 1.488 37 residues pruned to eliminate duplicates Z: 93 57.418 2.226 0.739 0.547 0.902 0.707 CB 1.636 93 residues pruned to eliminate duplicates Z: 57 40.712 2.110 0.782 0.591 0.911 0.661 CB 1.456 57 residues pruned to eliminate duplicates Z: 34 30.972 2.023 0.959 0.549 0.909 0.667 CB 1.426 34 residues pruned to eliminate duplicates Z: 34 30.374 2.083 0.902 0.548 0.879 0.667 CB 1.449 34 residues pruned to eliminate duplicates Z: 79 50.514 2.217 0.697 0.527 0.923 0.731 CB 1.603 97 residues pruned to eliminate duplicates Z: 14 17.948 1.800 0.692 0.867 1.000 0.923 CB 1.195 14 residues pruned to eliminate duplicates Z: 93 57.597 2.226 0.755 0.536 0.913 0.630 CB 1.625 93 residues pruned to eliminate duplicates Z: 93 60.631 2.224 0.781 0.545 0.946 0.685 CB 1.616 93 residues pruned to eliminate duplicates Z: 53 45.541 2.158 0.855 0.510 0.962 0.596 CB 1.624 53 residues pruned to eliminate duplicates Z: 33 35.955 2.043 0.925 0.595 0.969 0.688 CB 1.524 33 residues pruned to eliminate duplicates Z: 83 49.503 2.192 0.702 0.549 0.878 0.634 CB 1.591 83 residues pruned to eliminate duplicates Z: 66 48.727 2.172 0.760 0.555 0.938 0.677 CB 1.597 66 residues pruned to eliminate duplicates Z: 18 18.739 1.899 0.922 0.663 0.882 0.647 CB 1.213 18 residues pruned to eliminate duplicates Z: 33 34.476 2.071 0.954 0.556 0.938 0.656 CB 1.521 33 residues pruned to eliminate duplicates Z: 92 61.715 2.226 0.827 0.536 0.923 0.659 CB 1.662 92 residues pruned to eliminate duplicates Z: 45 38.468 2.111 0.906 0.527 0.909 0.659 CB 1.543 45 residues pruned to eliminate duplicates Z: 79 45.797 2.198 0.671 0.521 0.885 0.692 CB 1.562 79 residues pruned to eliminate duplicates Z: 101 54.876 2.185 0.710 0.526 0.900 0.560 CB 1.590 104 residues pruned to eliminate duplicates Z: 6 6.994 1.974 0.236 0.468 1.000 1.000 C 1.324 6 residues pruned to eliminate duplicates Z: 61 46.786 2.298 0.617 0.566 0.900 0.650 CB 1.694 61 residues pruned to eliminate duplicates Z: 62 45.980 2.281 0.662 0.536 0.885 0.623 CB 1.693 62 residues pruned to eliminate duplicates Z: 45 41.325 2.158 0.935 0.512 0.909 0.636 CB 1.622 45 residues pruned to eliminate duplicates Z: 60 46.217 2.296 0.709 0.538 0.847 0.644 CB 1.743 60 residues pruned to eliminate duplicates Z: 93 57.208 2.211 0.778 0.548 0.902 0.674 CB 1.604 93 residues pruned to eliminate duplicates Z: 61 46.843 2.274 0.707 0.547 0.900 0.650 CB 1.654 61 residues pruned to eliminate duplicates Z: 26 24.037 2.065 0.893 0.403 0.840 0.560 CB 1.622 26 residues pruned to eliminate duplicates Z: 52 34.103 2.197 0.565 0.475 0.882 0.549 CB 1.613 52 residues pruned to eliminate duplicates Z: 46 39.656 2.299 0.604 0.516 0.956 0.644 CB 1.652 46 residues pruned to eliminate duplicates Z: 50 36.558 2.241 0.585 0.544 0.857 0.633 CB 1.643 50 residues pruned to eliminate duplicates Z: 61 47.190 2.295 0.698 0.580 0.867 0.667 CB 1.670 61 residues pruned to eliminate duplicates Z: 46 43.195 2.291 0.701 0.536 0.956 0.711 CB 1.669 46 residues pruned to eliminate duplicates Z: 78 51.378 2.281 0.728 0.525 0.896 0.584 CB 1.618 78 residues pruned to eliminate duplicates Z: 82 52.781 2.186 0.762 0.521 0.926 0.642 CB 1.610 82 residues pruned to eliminate duplicates Z: 66 41.448 2.238 0.608 0.499 0.862 0.631 CB 1.659 66 residues pruned to eliminate duplicates Z: 47 37.774 2.268 0.636 0.505 0.913 0.674 CB 1.635 47 residues pruned to eliminate duplicates Z: 57 36.842 2.213 0.586 0.544 0.911 0.589 CB 1.475 57 residues pruned to eliminate duplicates Z: 66 44.949 2.249 0.707 0.517 0.892 0.662 CB 1.601 66 residues pruned to eliminate duplicates Z: 50 37.149 2.226 0.650 0.559 0.837 0.612 CB 1.631 50 residues pruned to eliminate duplicates Z: 48 39.203 2.258 0.733 0.541 0.872 0.638 CB 1.609 48 residues pruned to eliminate duplicates Z: 60 52.953 2.319 0.750 0.562 0.932 0.627 CB 1.716 60 residues pruned to eliminate duplicates Z: 65 46.662 2.257 0.771 0.490 0.906 0.578 CB 1.627 65 residues pruned to eliminate duplicates Z: 93 57.802 2.223 0.760 0.550 0.913 0.652 CB 1.607 93 residues pruned to eliminate duplicates Z: 46 40.042 2.312 0.597 0.515 0.956 0.644 CB 1.667 46 residues pruned to eliminate duplicates Z: 67 53.571 2.168 0.901 0.573 0.955 0.742 CB 1.562 67 residues pruned to eliminate duplicates Z: 92 64.787 2.251 0.846 0.559 0.956 0.604 CB 1.615 92 residues pruned to eliminate duplicates Z: 94 56.989 2.221 0.835 0.531 0.892 0.656 CB 1.575 94 residues pruned to eliminate duplicates Z: 92 62.482 2.239 0.840 0.562 0.934 0.626 CB 1.603 92 residues pruned to eliminate duplicates Z: 74 45.410 2.224 0.697 0.506 0.904 0.671 CB 1.549 74 residues pruned to eliminate duplicates Z: 77 56.382 2.300 0.783 0.545 0.947 0.645 CB 1.593 77 residues pruned to eliminate duplicates Z: 52 40.010 2.215 0.725 0.517 0.922 0.471 CB 1.564 52 residues pruned to eliminate duplicates Z: 61 55.978 2.251 0.848 0.569 0.950 0.717 CB 1.711 61 residues pruned to eliminate duplicates Z: 102 58.257 2.157 0.859 0.547 0.891 0.644 CB 1.549 102 residues pruned to eliminate duplicates Z: 46 45.109 2.290 0.738 0.590 0.978 0.622 CB 1.585 46 residues pruned to eliminate duplicates Z: 61 57.020 2.316 0.893 0.575 0.917 0.667 CB 1.704 61 residues pruned to eliminate duplicates Z: 40 45.634 2.334 0.859 0.623 0.897 0.641 CB 1.670 40 residues pruned to eliminate duplicates Z: 60 58.214 2.324 0.852 0.578 0.949 0.763 CB 1.720 60 residues pruned to eliminate duplicates Z: 59 58.227 2.342 0.865 0.573 0.966 0.672 CB 1.689 59 residues pruned to eliminate duplicates Z: 93 62.051 2.215 0.840 0.561 0.924 0.696 CB 1.619 93 residues pruned to eliminate duplicates Z: 93 60.365 2.208 0.844 0.557 0.924 0.674 CB 1.583 93 residues pruned to eliminate duplicates Z: 93 56.922 2.176 0.857 0.543 0.913 0.728 CB 1.542 93 residues pruned to eliminate duplicates Z: 93 61.435 2.225 0.864 0.555 0.913 0.696 CB 1.603 93 residues pruned to eliminate duplicates Z: 46 41.573 2.186 0.774 0.614 0.911 0.644 CB 1.575 46 residues pruned to eliminate duplicates Z: 61 56.932 2.311 0.858 0.571 0.933 0.650 CB 1.712 61 residues pruned to eliminate duplicates Z: 76 48.071 2.193 0.933 0.524 0.880 0.680 CB 1.452 76 residues pruned to eliminate duplicates Z: 93 64.196 2.229 0.900 0.562 0.924 0.652 CB 1.611 93 residues pruned to eliminate duplicates Z: 50 45.888 2.302 0.765 0.582 0.898 0.571 CB 1.660 50 residues pruned to eliminate duplicates Z: 94 65.698 2.209 0.895 0.567 0.946 0.656 CB 1.612 98 residues pruned to eliminate duplicates Z: 14 42.619 2.192 1.201 0.854 1.000 0.846 CA 1.810 14 residues pruned to eliminate duplicates Z: 61 55.726 2.302 0.842 0.562 0.950 0.583 CB 1.681 61 residues pruned to eliminate duplicates Z: 57 52.335 2.313 0.970 0.549 0.911 0.661 CB 1.607 57 residues pruned to eliminate duplicates Z: 60 59.495 2.319 0.925 0.585 0.949 0.712 CB 1.685 60 residues pruned to eliminate duplicates Z: 90 58.736 2.266 0.840 0.532 0.921 0.674 CB 1.570 88 residues pruned to eliminate duplicates Z: 14 42.581 2.402 1.170 0.788 0.923 0.769 CB 1.906 14 residues pruned to eliminate duplicates Z: 18 21.097 2.224 0.728 0.500 0.941 0.647 CB 1.414 18 residues pruned to eliminate duplicates Z: 121 52.779 2.165 0.671 0.514 0.908 0.675 CB 1.446 121 residues pruned to eliminate duplicates Z: 20 16.424 2.161 0.695 0.445 0.789 0.579 CB 1.378 20 residues pruned to eliminate duplicates Z: 19 17.989 2.180 0.710 0.504 0.833 0.611 CB 1.359 19 residues pruned to eliminate duplicates Z: 74 49.568 2.257 0.764 0.528 0.890 0.658 CB 1.592 74 residues pruned to eliminate duplicates Z: 78 49.985 2.239 0.741 0.500 0.909 0.610 CB 1.607 152 residues pruned to eliminate duplicates Z: 6 6.017 1.622 0.410 0.372 1.000 0.600 N 1.349 6 residues pruned to eliminate duplicates Z: 18 19.060 2.233 0.729 0.479 0.882 0.588 CB 1.387 18 residues pruned to eliminate duplicates Z: 20 16.930 2.070 0.799 0.402 0.842 0.632 CB 1.373 21 residues pruned to eliminate duplicates Z: 7 4.720 1.837 0.098 0.364 1.000 0.667 CB 1.106 7 residues pruned to eliminate duplicates Z: 31 22.673 2.063 0.798 0.437 0.900 0.667 CB 1.323 31 residues pruned to eliminate duplicates Z: 80 50.870 2.265 0.808 0.477 0.924 0.633 CB 1.548 80 residues pruned to eliminate duplicates Z: 29 27.747 2.155 0.867 0.452 0.964 0.607 CB 1.419 29 residues pruned to eliminate duplicates Z: 20 14.909 2.109 0.670 0.451 0.842 0.632 CB 1.213 20 residues pruned to eliminate duplicates Z: 29 24.433 2.190 0.848 0.467 0.893 0.679 CB 1.321 29 residues pruned to eliminate duplicates Z: 20 17.331 2.116 0.704 0.449 0.947 0.579 CB 1.226 20 residues pruned to eliminate duplicates Z: 6 11.445 1.762 1.129 0.459 1.000 0.600 C 1.423 6 residues pruned to eliminate duplicates Z: 31 23.548 2.112 0.849 0.441 0.900 0.633 CB 1.300 31 residues pruned to eliminate duplicates Z: 28 28.369 2.188 0.918 0.514 0.963 0.704 CB 1.332 28 residues pruned to eliminate duplicates Z: 97 66.025 2.261 0.770 0.551 0.979 0.698 CB 1.635 97 residues pruned to eliminate duplicates Z: 40 43.154 2.290 0.774 0.567 0.949 0.744 CB 1.680 40 residues pruned to eliminate duplicates Z: 82 56.956 2.288 0.690 0.511 0.938 0.630 CB 1.724 82 residues pruned to eliminate duplicates Z: 35 40.262 2.312 0.660 0.580 0.971 0.794 CB 1.716 35 residues pruned to eliminate duplicates Z: 81 54.483 2.290 0.660 0.491 0.963 0.625 CB 1.680 81 residues pruned to eliminate duplicates Z: 35 39.018 2.295 0.687 0.586 0.941 0.765 CB 1.691 35 residues pruned to eliminate duplicates Z: 82 56.788 2.296 0.702 0.509 0.938 0.679 CB 1.706 82 residues pruned to eliminate duplicates Z: 36 40.483 2.276 0.833 0.550 0.943 0.771 CB 1.657 36 residues pruned to eliminate duplicates Z: 33 42.261 2.306 0.724 0.591 1.000 0.719 CB 1.723 33 residues pruned to eliminate duplicates Z: 81 59.297 2.301 0.776 0.517 0.925 0.637 CB 1.725 81 residues pruned to eliminate duplicates Z: 6 3.529 1.722 0.082 0.254 0.800 0.600 CB 1.404 6 residues pruned to eliminate duplicates Z: 95 68.530 2.302 0.826 0.558 0.947 0.670 CB 1.679 95 residues pruned to eliminate duplicates Z: 37 35.996 2.208 0.719 0.566 0.944 0.667 CB 1.570 37 residues pruned to eliminate duplicates Z: 94 66.952 2.316 0.778 0.548 0.946 0.677 CB 1.700 94 residues pruned to eliminate duplicates Z: 35 39.664 2.303 0.829 0.556 0.912 0.794 CB 1.677 35 residues pruned to eliminate duplicates Z: 94 69.716 2.316 0.857 0.546 0.935 0.667 CB 1.717 94 residues pruned to eliminate duplicates Z: 56 40.540 2.195 0.818 0.458 0.927 0.600 CB 1.542 56 residues pruned to eliminate duplicates Z: 47 52.535 2.311 0.973 0.530 0.978 0.696 CB 1.687 47 residues pruned to eliminate duplicates Z: 15 37.901 2.151 1.126 0.878 1.000 0.857 CB 1.607 15 residues pruned to eliminate duplicates Z: 42 45.268 2.266 0.923 0.550 0.976 0.707 CB 1.583 42 residues pruned to eliminate duplicates Z: 14 34.090 2.342 0.846 0.815 0.923 0.769 CB 1.802 14 residues pruned to eliminate duplicates Z: 97 65.522 2.262 0.848 0.532 0.948 0.604 CB 1.635 97 residues pruned to eliminate duplicates Z: 35 41.415 2.286 0.928 0.583 0.912 0.706 CB 1.632 35 residues pruned to eliminate duplicates Z: 85 57.878 2.267 0.802 0.497 0.929 0.714 CB 1.669 85 residues pruned to eliminate duplicates Z: 36 45.547 2.257 0.976 0.543 0.971 0.686 CB 1.703 36 residues pruned to eliminate duplicates Z: 83 64.216 2.299 0.865 0.558 0.939 0.610 CB 1.665 83 residues pruned to eliminate duplicates Z: 35 44.725 2.283 0.934 0.551 1.000 0.676 CB 1.654 35 residues pruned to eliminate duplicates Z: 35 46.000 2.313 0.928 0.556 0.971 0.794 CB 1.725 35 residues pruned to eliminate duplicates Z: 6 4.174 1.631 0.810 0.410 1.000 0.600 CB 0.695 Z: 6 5.353 1.540 0.856 0.452 0.800 0.400 C 1.099 6 residues pruned to eliminate duplicates Z: 61 48.377 2.245 0.772 0.543 0.917 0.633 CB 1.642 67 residues pruned to eliminate duplicates Z: 47 41.381 2.293 0.698 0.489 0.913 0.674 CB 1.735 47 residues pruned to eliminate duplicates Z: 19 22.021 2.237 0.751 0.431 0.889 0.444 CB 1.601 19 residues pruned to eliminate duplicates Z: 31 16.733 2.164 0.630 0.216 0.833 0.400 CB 1.452 31 residues pruned to eliminate duplicates Z: 81 58.006 2.280 0.814 0.504 0.938 0.625 CB 1.666 81 residues pruned to eliminate duplicates Z: 95 62.686 2.265 0.831 0.547 0.926 0.617 CB 1.609 95 residues pruned to eliminate duplicates Z: 44 37.566 2.299 0.624 0.473 0.930 0.628 CA 1.697 44 residues pruned to eliminate duplicates Z: 48 39.932 2.269 0.630 0.484 0.936 0.553 CA 1.708 48 residues pruned to eliminate duplicates Z: 68 47.353 2.208 0.758 0.483 0.925 0.597 CA 1.638 68 residues pruned to eliminate duplicates Z: 62 50.488 2.256 0.861 0.530 0.918 0.574 CB 1.628 62 residues pruned to eliminate duplicates Z: 92 50.977 2.192 0.766 0.460 0.901 0.615 CB 1.595 92 residues pruned to eliminate duplicates Z: 45 38.879 2.243 0.686 0.461 0.977 0.568 CA 1.650 45 residues pruned to eliminate duplicates Z: 57 46.727 2.241 0.746 0.514 0.929 0.625 CB 1.696 57 residues pruned to eliminate duplicates Z: 95 67.696 2.300 0.759 0.561 0.957 0.702 CB 1.699 95 residues pruned to eliminate duplicates Z: 93 56.066 2.250 0.795 0.464 0.913 0.565 CA 1.644 93 residues pruned to eliminate duplicates Z: 65 42.133 2.236 0.748 0.487 0.828 0.625 CB 1.649 65 residues pruned to eliminate duplicates Z: 46 43.757 2.323 0.677 0.521 0.956 0.667 CA 1.716 46 residues pruned to eliminate duplicates Z: 95 66.559 2.283 0.841 0.562 0.936 0.681 CB 1.643 95 residues pruned to eliminate duplicates Z: 46 45.024 2.317 0.766 0.502 0.956 0.711 CA 1.713 46 residues pruned to eliminate duplicates Z: 66 47.851 2.252 0.790 0.474 0.923 0.646 CB 1.638 66 residues pruned to eliminate duplicates Z: 46 39.964 2.232 0.690 0.538 0.956 0.578 CA 1.593 46 residues pruned to eliminate duplicates Z: 30 29.477 2.197 0.616 0.507 1.000 0.552 CA 1.531 30 residues pruned to eliminate duplicates Z: 69 41.079 2.209 0.712 0.434 0.882 0.544 CB 1.599 69 residues pruned to eliminate duplicates Z: 73 50.430 2.215 0.758 0.547 0.903 0.625 CB 1.614 73 residues pruned to eliminate duplicates Z: 65 45.528 2.237 0.742 0.517 0.906 0.625 CB 1.585 65 residues pruned to eliminate duplicates Z: 69 55.930 2.266 0.867 0.571 0.912 0.662 CB 1.641 69 residues pruned to eliminate duplicates Z: 61 48.770 2.253 0.768 0.524 0.933 0.633 CA 1.654 61 residues pruned to eliminate duplicates Z: 93 60.195 2.254 0.831 0.502 0.913 0.620 CB 1.662 93 residues pruned to eliminate duplicates Z: 56 42.441 2.252 0.668 0.491 0.927 0.600 CB 1.659 56 residues pruned to eliminate duplicates Z: 66 46.346 2.231 0.839 0.455 0.923 0.538 CB 1.590 66 residues pruned to eliminate duplicates Z: 37 39.068 2.252 0.859 0.588 0.917 0.583 CA 1.560 37 residues pruned to eliminate duplicates Z: 38 38.834 2.180 0.898 0.596 0.892 0.622 CB 1.578 38 residues pruned to eliminate duplicates Z: 81 60.609 2.311 0.801 0.527 0.925 0.700 CB 1.713 81 residues pruned to eliminate duplicates Z: 79 53.325 2.258 0.845 0.479 0.910 0.564 CB 1.626 79 residues pruned to eliminate duplicates Z: 80 59.108 2.293 0.842 0.508 0.937 0.633 CB 1.668 80 residues pruned to eliminate duplicates Z: 37 42.701 2.247 0.855 0.599 0.972 0.611 CA 1.597 37 residues pruned to eliminate duplicates Z: 66 45.467 2.268 0.770 0.529 0.877 0.615 CB 1.557 66 residues pruned to eliminate duplicates Z: 37 39.166 2.234 0.873 0.596 0.889 0.556 CA 1.601 37 residues pruned to eliminate duplicates Z: 106 56.416 2.178 0.864 0.481 0.895 0.600 CB 1.544 106 residues pruned to eliminate duplicates Z: 36 48.179 2.274 0.981 0.625 0.971 0.714 CA 1.655 36 residues pruned to eliminate duplicates Z: 15 6.886 1.778 0.344 0.217 0.857 0.571 CA 1.254 15 residues pruned to eliminate duplicates Z: 68 60.167 2.289 0.964 0.559 0.925 0.672 CB 1.669 68 residues pruned to eliminate duplicates Z: 68 42.482 2.177 0.718 0.475 0.925 0.567 CB 1.538 68 residues pruned to eliminate duplicates Z: 37 46.958 2.241 1.002 0.626 0.944 0.694 CA 1.641 37 residues pruned to eliminate duplicates Z: 54 45.047 2.188 0.848 0.576 0.925 0.528 CB 1.537 54 residues pruned to eliminate duplicates Z: 95 64.255 2.253 0.842 0.562 0.947 0.702 CB 1.587 95 residues pruned to eliminate duplicates Z: 68 48.478 2.253 0.821 0.524 0.896 0.627 CB 1.574 68 residues pruned to eliminate duplicates Z: 64 52.197 2.299 0.845 0.522 0.921 0.635 CB 1.648 64 residues pruned to eliminate duplicates Z: 36 47.403 2.269 0.885 0.632 1.000 0.714 CA 1.655 36 residues pruned to eliminate duplicates Z: 36 42.912 2.265 0.834 0.618 0.943 0.657 CA 1.657 36 residues pruned to eliminate duplicates Z: 47 47.203 2.282 0.731 0.573 1.000 0.630 CA 1.642 47 residues pruned to eliminate duplicates Z: 22 22.212 2.078 0.674 0.535 0.905 0.476 CB 1.488 22 residues pruned to eliminate duplicates Z: 25 21.085 2.044 0.862 0.430 0.917 0.667 CB 1.327 25 residues pruned to eliminate duplicates Z: 24 27.691 2.139 0.990 0.474 0.957 0.783 CB 1.456 24 residues pruned to eliminate duplicates Z: 25 26.427 2.140 0.937 0.501 0.917 0.750 CB 1.418 25 residues pruned to eliminate duplicates Z: 35 24.584 2.025 0.950 0.440 0.824 0.588 CB 1.379 35 residues pruned to eliminate duplicates Z: 25 20.843 2.079 0.774 0.457 0.875 0.625 CB 1.377 25 residues pruned to eliminate duplicates Z: 14 13.850 2.094 0.825 0.326 0.846 0.692 CB 1.438 14 residues pruned to eliminate duplicates Z: 13 13.793 2.133 0.708 0.367 0.833 0.750 CB 1.513 13 residues pruned to eliminate duplicates Z: 16 15.477 2.134 0.831 0.364 0.800 0.667 CB 1.479 16 residues pruned to eliminate duplicates Z: 28 26.748 2.146 0.886 0.506 0.926 0.778 CB 1.366 28 residues pruned to eliminate duplicates Z: 17 16.481 2.012 0.897 0.372 0.875 0.812 CB 1.415 17 residues pruned to eliminate duplicates Z: 19 12.411 1.967 0.751 0.336 0.833 0.500 CB 1.219 19 residues pruned to eliminate duplicates Z: 19 21.199 2.050 0.978 0.449 0.944 0.556 CB 1.375 19 residues pruned to eliminate duplicates Z: 17 15.620 1.984 1.111 0.351 0.875 0.562 CB 1.252 17 residues pruned to eliminate duplicates Z: 39 23.884 2.006 0.644 0.519 0.921 0.579 CB 1.252 39 residues pruned to eliminate duplicates Z: 91 58.454 2.273 0.662 0.557 0.967 0.678 CB 1.596 91 residues pruned to eliminate duplicates Z: 53 38.321 2.172 0.717 0.549 0.923 0.635 CB 1.472 53 residues pruned to eliminate duplicates Z: 52 39.708 2.190 0.884 0.526 0.902 0.706 CB 1.456 52 residues pruned to eliminate duplicates Z: 35 27.638 2.076 0.739 0.551 0.912 0.676 CB 1.371 35 residues pruned to eliminate duplicates Z: 120 59.171 2.230 0.677 0.545 0.941 0.672 CB 1.475 120 residues pruned to eliminate duplicates Z: 93 60.223 2.276 0.756 0.562 0.935 0.717 CB 1.582 93 residues pruned to eliminate duplicates Z: 93 56.566 2.265 0.632 0.557 0.967 0.663 CB 1.561 93 residues pruned to eliminate duplicates Z: 30 30.236 2.132 0.596 0.675 0.966 0.862 CB 1.455 30 residues pruned to eliminate duplicates Z: 48 35.674 2.143 0.732 0.540 0.957 0.681 CB 1.407 47 residues pruned to eliminate duplicates Z: 6 4.466 1.908 0.419 0.422 0.800 0.400 CB 1.000 6 residues pruned to eliminate duplicates Z: 94 59.703 2.243 0.761 0.558 0.946 0.677 CB 1.566 94 residues pruned to eliminate duplicates Z: 82 56.796 2.256 0.773 0.544 0.938 0.654 CB 1.610 82 residues pruned to eliminate duplicates Z: 104 56.709 2.223 0.688 0.541 0.922 0.621 CB 1.550 104 residues pruned to eliminate duplicates Z: 92 57.922 2.278 0.722 0.535 0.945 0.648 CB 1.583 92 residues pruned to eliminate duplicates Z: 92 59.727 2.281 0.766 0.540 0.934 0.670 CB 1.599 92 residues pruned to eliminate duplicates Z: 95 62.649 2.237 0.802 0.545 0.957 0.670 CB 1.602 95 residues pruned to eliminate duplicates Z: 95 55.993 2.251 0.723 0.536 0.915 0.660 CB 1.572 95 residues pruned to eliminate duplicates Z: 34 29.706 2.125 0.894 0.571 0.909 0.697 CB 1.319 34 residues pruned to eliminate duplicates Z: 94 59.238 2.261 0.728 0.550 0.946 0.667 CB 1.583 94 residues pruned to eliminate duplicates Z: 93 59.410 2.253 0.795 0.530 0.935 0.663 CB 1.590 93 residues pruned to eliminate duplicates Z: 82 56.667 2.269 0.782 0.549 0.926 0.679 CB 1.604 82 residues pruned to eliminate duplicates Z: 37 26.811 2.045 0.769 0.536 0.889 0.639 CB 1.342 37 residues pruned to eliminate duplicates Z: 94 60.662 2.261 0.810 0.554 0.925 0.720 CB 1.577 94 residues pruned to eliminate duplicates Z: 93 60.929 2.272 0.791 0.557 0.935 0.630 CB 1.580 93 residues pruned to eliminate duplicates Z: 121 61.075 2.234 0.767 0.531 0.908 0.700 CB 1.508 121 residues pruned to eliminate duplicates Z: 45 43.097 2.174 1.029 0.525 0.932 0.727 CB 1.541 45 residues pruned to eliminate duplicates Z: 93 59.493 2.283 0.764 0.555 0.924 0.674 CB 1.579 93 residues pruned to eliminate duplicates Z: 94 63.982 2.264 0.793 0.545 0.978 0.634 CB 1.599 94 residues pruned to eliminate duplicates Z: 123 59.021 2.198 0.765 0.511 0.934 0.639 CB 1.457 120 residues pruned to eliminate duplicates Z: 6 4.021 1.680 0.309 0.368 0.800 0.400 CB 1.178 6 residues pruned to eliminate duplicates Z: 61 47.248 2.343 0.677 0.540 0.883 0.683 CB 1.689 61 residues pruned to eliminate duplicates Z: 64 48.390 2.306 0.752 0.489 0.905 0.603 CB 1.686 64 residues pruned to eliminate duplicates Z: 58 49.540 2.335 0.744 0.509 0.912 0.632 CB 1.750 58 residues pruned to eliminate duplicates Z: 61 51.584 2.311 0.689 0.533 0.967 0.633 CB 1.708 61 residues pruned to eliminate duplicates Z: 93 61.955 2.277 0.791 0.551 0.946 0.674 CB 1.593 94 residues pruned to eliminate duplicates Z: 8 9.320 1.682 0.834 0.554 0.857 0.571 CA 1.264 8 residues pruned to eliminate duplicates Z: 60 52.318 2.344 0.723 0.535 0.966 0.695 CB 1.687 60 residues pruned to eliminate duplicates Z: 60 53.152 2.352 0.720 0.531 0.966 0.627 CB 1.718 60 residues pruned to eliminate duplicates Z: 64 51.092 2.308 0.749 0.509 0.968 0.698 CB 1.633 64 residues pruned to eliminate duplicates Z: 74 50.039 2.253 0.666 0.524 0.945 0.603 CB 1.613 96 residues pruned to eliminate duplicates Z: 58 47.714 2.322 0.715 0.510 0.930 0.667 CB 1.690 58 residues pruned to eliminate duplicates Z: 69 55.185 2.335 0.740 0.530 0.956 0.618 CB 1.673 69 residues pruned to eliminate duplicates Z: 94 57.029 2.241 0.731 0.550 0.935 0.699 CB 1.551 93 residues pruned to eliminate duplicates Z: 6 4.009 1.977 0.191 0.293 0.800 0.400 CA 1.202 6 residues pruned to eliminate duplicates Z: 64 46.785 2.331 0.716 0.517 0.873 0.603 CB 1.660 64 residues pruned to eliminate duplicates Z: 51 43.182 2.274 0.750 0.441 0.960 0.660 CB 1.699 51 residues pruned to eliminate duplicates Z: 95 56.355 2.249 0.750 0.541 0.904 0.606 CB 1.569 95 residues pruned to eliminate duplicates Z: 62 42.659 2.257 0.793 0.441 0.918 0.475 CB 1.563 62 residues pruned to eliminate duplicates Z: 82 54.242 2.225 0.852 0.526 0.926 0.642 CB 1.540 82 residues pruned to eliminate duplicates Z: 42 40.865 2.317 0.644 0.593 0.927 0.585 CB 1.654 42 residues pruned to eliminate duplicates Z: 65 48.007 2.291 0.677 0.477 0.938 0.609 CB 1.705 65 residues pruned to eliminate duplicates Z: 91 54.400 2.252 0.724 0.529 0.944 0.589 CB 1.518 93 residues pruned to eliminate duplicates Z: 17 29.784 2.184 0.573 0.877 0.938 0.812 CB 1.679 17 residues pruned to eliminate duplicates Z: 61 50.998 2.331 0.724 0.548 0.933 0.517 CB 1.675 61 residues pruned to eliminate duplicates Z: 43 38.858 2.262 0.604 0.565 0.905 0.595 CB 1.715 43 residues pruned to eliminate duplicates Z: 44 41.960 2.287 0.649 0.551 0.953 0.605 CB 1.693 44 residues pruned to eliminate duplicates Z: 64 49.297 2.302 0.779 0.501 0.937 0.619 CB 1.618 64 residues pruned to eliminate duplicates Z: 63 53.438 2.323 0.807 0.531 0.968 0.661 CB 1.620 63 residues pruned to eliminate duplicates Z: 57 46.107 2.314 0.742 0.524 0.929 0.554 CB 1.608 57 residues pruned to eliminate duplicates Z: 103 54.963 2.205 0.735 0.505 0.912 0.471 CB 1.553 103 residues pruned to eliminate duplicates Z: 63 51.227 2.338 0.781 0.529 0.935 0.565 CB 1.623 63 residues pruned to eliminate duplicates Z: 68 45.796 2.269 0.765 0.502 0.881 0.537 CB 1.583 68 residues pruned to eliminate duplicates Z: 95 59.125 2.235 0.789 0.566 0.936 0.606 CB 1.527 95 residues pruned to eliminate duplicates Z: 44 37.686 2.235 0.713 0.545 0.930 0.581 CB 1.544 44 residues pruned to eliminate duplicates Z: 49 41.711 2.286 0.672 0.552 0.917 0.521 CB 1.633 49 residues pruned to eliminate duplicates Z: 40 40.108 2.314 0.745 0.610 0.872 0.564 CB 1.644 40 residues pruned to eliminate duplicates Z: 43 40.031 2.291 0.613 0.587 0.929 0.643 CB 1.656 43 residues pruned to eliminate duplicates Z: 63 48.376 2.331 0.740 0.522 0.919 0.581 CB 1.612 63 residues pruned to eliminate duplicates Z: 64 48.222 2.292 0.763 0.513 0.889 0.571 CB 1.669 64 residues pruned to eliminate duplicates Z: 65 50.464 2.288 0.765 0.519 0.938 0.672 CB 1.636 65 residues pruned to eliminate duplicates Z: 61 51.384 2.318 0.802 0.554 0.933 0.567 CB 1.614 61 residues pruned to eliminate duplicates Z: 57 48.208 2.358 0.704 0.553 0.929 0.643 CB 1.639 57 residues pruned to eliminate duplicates Z: 65 49.670 2.303 0.823 0.506 0.906 0.562 CB 1.623 65 residues pruned to eliminate duplicates Z: 51 38.295 2.251 0.665 0.522 0.860 0.620 CB 1.643 51 residues pruned to eliminate duplicates Z: 41 46.490 2.355 0.747 0.619 0.950 0.625 CB 1.681 41 residues pruned to eliminate duplicates Z: 64 52.524 2.323 0.795 0.534 0.937 0.683 CB 1.638 64 residues pruned to eliminate duplicates Z: 59 53.352 2.367 0.808 0.556 0.914 0.655 CB 1.696 59 residues pruned to eliminate duplicates Z: 63 51.250 2.300 0.776 0.516 0.952 0.645 CB 1.649 63 residues pruned to eliminate duplicates Z: 49 39.874 2.275 0.643 0.550 0.896 0.562 CB 1.638 49 residues pruned to eliminate duplicates Z: 47 40.021 2.296 0.625 0.562 0.935 0.609 CB 1.592 47 residues pruned to eliminate duplicates Z: 42 41.980 2.312 0.654 0.585 0.927 0.634 CB 1.704 42 residues pruned to eliminate duplicates Z: 41 45.774 2.343 0.794 0.614 0.925 0.650 CB 1.670 41 residues pruned to eliminate duplicates Z: 53 36.371 2.228 0.661 0.581 0.827 0.558 CB 1.525 53 residues pruned to eliminate duplicates Z: 41 32.720 2.135 0.783 0.548 0.950 0.700 CB 1.366 41 residues pruned to eliminate duplicates Z: 96 50.643 2.198 0.799 0.484 0.895 0.653 CB 1.493 96 residues pruned to eliminate duplicates Z: 51 47.242 2.294 0.727 0.601 0.920 0.620 CB 1.666 51 residues pruned to eliminate duplicates Z: 87 55.226 2.253 0.777 0.504 0.953 0.616 CB 1.554 87 residues pruned to eliminate duplicates Z: 30 22.300 2.099 0.924 0.447 0.862 0.517 CB 1.255 30 residues pruned to eliminate duplicates Z: 40 33.773 2.195 0.808 0.569 0.872 0.641 CB 1.462 40 residues pruned to eliminate duplicates Z: 11 13.756 2.102 0.721 0.564 0.800 0.700 CB 1.413 11 residues pruned to eliminate duplicates Z: 73 50.551 2.227 0.820 0.503 0.931 0.653 CB 1.576 73 residues pruned to eliminate duplicates Z: 73 50.036 2.252 0.738 0.513 0.917 0.597 CB 1.623 73 residues pruned to eliminate duplicates Z: 66 40.961 2.200 0.683 0.497 0.923 0.569 CB 1.490 66 residues pruned to eliminate duplicates Z: 70 39.704 2.194 0.710 0.478 0.884 0.551 CB 1.473 70 residues pruned to eliminate duplicates Z: 6 6.955 2.196 0.011 0.420 1.000 0.600 CB 1.524 6 residues pruned to eliminate duplicates Z: 26 26.881 2.240 0.724 0.526 0.960 0.680 CB 1.413 26 residues pruned to eliminate duplicates Z: 19 16.470 2.102 0.703 0.431 0.944 0.611 CB 1.234 20 residues pruned to eliminate duplicates Z: 6 10.092 2.223 0.379 0.353 1.000 0.600 CA 1.727 6 residues pruned to eliminate duplicates Z: 30 21.760 2.102 0.778 0.444 0.897 0.586 CB 1.277 30 residues pruned to eliminate duplicates Z: 23 13.967 1.966 0.653 0.334 0.818 0.455 CB 1.343 22 residues pruned to eliminate duplicates Z: 8 4.254 1.598 0.191 0.379 0.857 0.571 N 1.122 8 residues pruned to eliminate duplicates Z: 17 14.987 2.011 0.384 0.408 0.938 0.562 CB 1.582 Z: 6 3.602 1.661 0.142 0.387 0.800 0.400 CA 1.198 6 residues pruned to eliminate duplicates Z: 14 27.185 2.116 0.869 0.617 1.000 0.923 CB 1.707 17 residues pruned to eliminate duplicates Z: 7 5.457 1.599 0.463 0.463 1.000 0.500 CB 0.988 7 residues pruned to eliminate duplicates Z: 14 23.513 2.113 0.740 0.588 1.000 0.846 CA 1.631 14 residues pruned to eliminate duplicates Z: 6 9.215 1.725 0.906 0.429 1.000 0.800 C 1.350 6 residues pruned to eliminate duplicates Z: 14 21.465 2.054 0.716 0.608 0.923 0.846 CA 1.651 14 residues pruned to eliminate duplicates Z: 14 22.144 2.091 0.623 0.628 1.000 0.769 CA 1.604 14 residues pruned to eliminate duplicates Z: 15 19.797 1.950 0.684 0.597 1.000 0.571 CB 1.470 14 residues pruned to eliminate duplicates 304 residues left after pruning, divided into chains as follows: A: 6 B: 7 C: 12 D: 20 E: 99 F: 30 G: 31 H: 67 I: 19 J: 13 CC for partial structure against native data = 31.98 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 2 used as input for final density modification = 0.300, Contrast = 0.456, Connect. = 0.720 for dens.mod. cycle 1 = 0.300, Contrast = 0.530, Connect. = 0.751 for dens.mod. cycle 2 = 0.300, Contrast = 0.626, Connect. = 0.782 for dens.mod. cycle 3 = 0.300, Contrast = 0.637, Connect. = 0.786 for dens.mod. cycle 4 = 0.300, Contrast = 0.650, Connect. = 0.789 for dens.mod. cycle 5 = 0.300, Contrast = 0.656, Connect. = 0.792 for dens.mod. cycle 6 = 0.300, Contrast = 0.663, Connect. = 0.794 for dens.mod. cycle 7 = 0.300, Contrast = 0.668, Connect. = 0.795 for dens.mod. cycle 8 = 0.300, Contrast = 0.672, Connect. = 0.796 for dens.mod. cycle 9 TimeTaking 233.85