null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 01:45:59 on 15 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: ./1ztc-2.1-parrot-noncs/1ztc-2.1-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./1ztc-2.1-parrot-noncs/1ztc-2.1-parrot-noncs.ins Phases from ./1ztc-2.1-parrot-noncs/1ztc-2.1-parrot-noncs.phi Native data from ./1ztc-2.1-parrot-noncs/1ztc-2.1-parrot-noncs.hkl Listing output to ./1ztc-2.1-parrot-noncs/1ztc-2.1-parrot-noncs.lst Phases output to ./1ztc-2.1-parrot-noncs/1ztc-2.1-parrot-noncs.phs Poly-Ala trace output to ./1ztc-2.1-parrot-noncs/1ztc-2.1-parrot-noncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 21 21 21 Allowed origin shift code: 4 100040 Reflections read from file ./1ztc-2.1-parrot-noncs/1ztc-2.1-parrot-noncs.phi 100040 Reflections read from file ./1ztc-2.1-parrot-noncs/1ztc-2.1-parrot-noncs.hkl 100040 Unique data, highest resolution = 2.100 Angstroms Anisotropic scaling: intensities multiplied by -0.000057h^2 -0.000028k^2 +0.000057l^2 +0.000000kl +0.000000hl +0.000000hk 368 Reflections with d > 2.300 and 0 in range 2.300 > d > 2.100 added Density sharpening factor set to 0.60 Fourier grid = 128 x 256 x 53 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.722 = 0.298, Contrast = 0.405, Connect. = 0.657 for dens.mod. cycle 1 = 0.300, Contrast = 0.521, Connect. = 0.667 for dens.mod. cycle 2 = 0.300, Contrast = 0.764, Connect. = 0.730 for dens.mod. cycle 3 = 0.300, Contrast = 0.891, Connect. = 0.754 for dens.mod. cycle 4 = 0.300, Contrast = 0.968, Connect. = 0.768 for dens.mod. cycle 5 = 0.300, Contrast = 1.021, Connect. = 0.778 for dens.mod. cycle 6 = 0.300, Contrast = 1.056, Connect. = 0.785 for dens.mod. cycle 7 = 0.300, Contrast = 1.080, Connect. = 0.789 for dens.mod. cycle 8 = 0.300, Contrast = 1.095, Connect. = 0.793 for dens.mod. cycle 9 = 0.300, Contrast = 1.106, Connect. = 0.795 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 5302 peaks > 0.5 sigma used to seed fragment search Space for about 1914 unique residues taking solvent into account 1056 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 6 10.816 2.387 0.582 0.689 0.600 0.600 CA 1.795 B: 17 27.010 2.250 0.585 0.828 0.938 0.625 CA 1.521 6 residues pruned to eliminate duplicates C: 22 20.112 2.177 0.737 0.432 0.857 0.524 CB 1.453 D: 16 17.677 2.142 0.885 0.422 0.933 0.667 CB 1.314 16 residues pruned to eliminate duplicates E: 11 40.276 2.367 1.016 0.929 1.000 1.000 CA 1.868 F: 16 39.236 2.463 0.678 0.880 1.000 0.733 CA 1.776 17 residues pruned to eliminate duplicates G: 11 41.290 2.421 1.018 0.921 1.000 0.900 CA 1.882 H: 12 40.109 2.321 1.184 0.909 1.000 0.818 CA 1.693 12 residues pruned to eliminate duplicates I: 27 29.589 2.208 0.967 0.504 0.808 0.423 CB 1.649 11 residues pruned to eliminate duplicates J: 17 40.790 2.330 0.925 0.882 0.938 0.812 CA 1.755 16 residues pruned to eliminate duplicates K: 16 50.127 2.445 1.005 0.883 1.000 0.800 CA 1.909 17 residues pruned to eliminate duplicates L: 16 31.813 2.202 1.060 0.792 0.867 0.600 CA 1.617 M: 17 37.831 2.173 1.137 0.905 1.000 0.688 CA 1.450 16 residues pruned to eliminate duplicates N: 14 25.852 2.151 0.911 0.879 0.923 0.769 CB 1.370 14 residues pruned to eliminate duplicates O: 30 29.163 2.031 1.101 0.408 0.897 0.552 CB 1.560 14 residues pruned to eliminate duplicates P: 11 50.429 2.385 1.462 0.929 1.000 1.000 CB 1.901 11 residues pruned to eliminate duplicates Q: 16 31.981 2.189 1.124 0.809 0.867 0.733 CA 1.566 16 residues pruned to eliminate duplicates R: 17 29.409 2.165 0.725 0.814 0.938 0.688 CA 1.598 17 residues pruned to eliminate duplicates S: 13 29.513 2.131 1.176 0.907 0.917 0.667 CA 1.424 12 residues pruned to eliminate duplicates T: 17 37.468 2.122 0.989 0.879 0.938 0.750 CA 1.716 U: 12 33.119 2.242 1.246 0.891 0.818 0.727 CA 1.742 12 residues pruned to eliminate duplicates V: 15 37.660 2.226 0.998 0.860 0.929 0.643 CA 1.792 16 residues pruned to eliminate duplicates W: 16 36.190 2.235 1.084 0.881 0.933 0.733 CB 1.556 16 residues pruned to eliminate duplicates X: 15 30.958 2.164 1.016 0.863 1.000 0.714 CB 1.392 Y: 11 17.674 1.997 1.009 0.719 0.800 0.400 N 1.428 Z: 22 21.147 2.173 0.871 0.388 0.857 0.714 CB 1.492 22 residues pruned to eliminate duplicates Z: 17 51.537 2.350 1.297 0.892 1.000 0.750 CB 1.715 17 residues pruned to eliminate duplicates Z: 11 40.502 2.395 1.111 0.881 1.000 0.800 CA 1.835 11 residues pruned to eliminate duplicates Z: 14 33.527 2.219 1.146 0.926 1.000 0.769 CB 1.369 15 residues pruned to eliminate duplicates Z: 13 34.775 2.285 1.144 0.845 0.917 0.833 CB 1.662 13 residues pruned to eliminate duplicates Z: 15 28.980 2.275 0.815 0.920 0.929 0.857 CA 1.423 Z: 18 38.183 2.232 0.971 0.883 0.941 0.765 CA 1.616 18 residues pruned to eliminate duplicates Z: 12 41.990 2.323 1.483 0.925 0.909 0.636 CA 1.695 12 residues pruned to eliminate duplicates Z: 23 34.812 2.171 0.909 0.686 0.955 0.727 CA 1.582 15 residues pruned to eliminate duplicates Z: 13 23.980 1.849 1.020 0.839 1.000 0.583 CB 1.384 Z: 12 27.867 2.043 0.816 0.844 1.000 0.818 CA 1.685 12 residues pruned to eliminate duplicates Z: 14 27.101 2.077 1.291 0.801 0.923 0.615 CB 1.315 Z: 17 28.449 2.069 1.144 0.879 0.812 0.750 CA 1.430 17 residues pruned to eliminate duplicates Z: 17 27.924 2.043 0.733 0.870 1.000 0.750 CA 1.438 17 residues pruned to eliminate duplicates Z: 13 21.482 2.115 1.205 0.620 0.750 0.417 CA 1.582 10 residues pruned to eliminate duplicates Z: 29 24.047 2.071 1.045 0.415 0.893 0.500 CB 1.313 29 residues pruned to eliminate duplicates Z: 26 29.467 2.042 1.107 0.520 0.880 0.480 CB 1.527 Z: 13 37.791 2.137 1.334 0.870 1.000 0.917 CA 1.596 12 residues pruned to eliminate duplicates Z: 13 37.017 2.163 1.332 0.885 1.000 0.500 CB 1.530 13 residues pruned to eliminate duplicates Z: 12 34.653 2.220 1.036 0.918 1.000 0.909 CB 1.630 12 residues pruned to eliminate duplicates Z: 12 27.947 2.058 0.932 0.891 1.000 0.727 CB 1.523 12 residues pruned to eliminate duplicates Z: 12 20.317 2.128 1.046 0.424 1.000 0.909 CB 1.523 Z: 16 36.019 2.177 1.044 0.923 1.000 0.600 CA 1.469 16 residues pruned to eliminate duplicates Z: 11 8.651 2.120 0.512 0.375 0.800 0.400 CB 1.219 Z: 15 23.829 2.124 0.838 0.802 0.929 0.857 CB 1.350 15 residues pruned to eliminate duplicates Z: 9 12.798 2.046 1.129 0.290 0.875 0.500 N 1.504 Z: 22 22.167 2.197 0.824 0.422 0.810 0.571 CB 1.617 13 residues pruned to eliminate duplicates Z: 16 46.484 2.454 0.867 0.861 1.000 0.600 CA 1.924 16 residues pruned to eliminate duplicates Z: 11 38.397 2.365 1.058 0.925 1.000 1.000 CA 1.751 11 residues pruned to eliminate duplicates Z: 11 54.723 2.450 1.537 0.940 1.000 1.000 CA 1.934 12 residues pruned to eliminate duplicates Z: 14 37.327 2.107 1.177 0.898 1.000 0.846 CA 1.614 14 residues pruned to eliminate duplicates Z: 15 26.911 2.149 1.099 0.842 0.857 0.714 CB 1.385 14 residues pruned to eliminate duplicates Z: 17 26.819 1.892 1.205 0.784 0.938 0.812 CA 1.336 17 residues pruned to eliminate duplicates Z: 16 30.623 2.130 1.012 0.910 0.933 0.667 CA 1.403 16 residues pruned to eliminate duplicates Z: 7 7.246 1.929 0.521 0.699 0.667 0.667 CB 1.261 Z: 17 34.396 2.152 0.879 0.887 0.938 0.875 CA 1.636 17 residues pruned to eliminate duplicates Z: 12 25.169 1.998 0.978 0.880 1.000 0.636 CA 1.391 Z: 59 61.467 2.206 1.177 0.554 0.948 0.586 CB 1.682 18 residues pruned to eliminate duplicates Z: 27 28.827 2.141 0.985 0.523 0.885 0.423 CB 1.469 11 residues pruned to eliminate duplicates Z: 8 6.080 1.852 1.166 0.388 0.714 0.571 CB 0.903 Z: 8 9.144 1.619 0.952 0.535 0.857 0.571 CA 1.232 Z: 11 27.306 2.019 1.044 0.890 1.000 0.900 CA 1.505 11 residues pruned to eliminate duplicates Z: 15 30.724 2.147 0.915 0.777 1.000 0.714 CA 1.563 Z: 16 30.673 2.403 0.691 0.861 0.933 0.867 CA 1.534 16 residues pruned to eliminate duplicates Z: 16 11.325 2.059 0.488 0.348 0.800 0.400 CB 1.407 Z: 16 27.320 2.137 0.998 0.880 0.867 0.600 CA 1.381 16 residues pruned to eliminate duplicates Z: 40 32.839 2.150 1.001 0.470 0.872 0.487 CB 1.446 41 residues pruned to eliminate duplicates Z: 16 55.845 2.450 1.219 0.894 1.000 0.733 CA 1.902 16 residues pruned to eliminate duplicates Z: 16 9.290 1.919 0.506 0.323 0.733 0.533 CB 1.376 Z: 17 17.069 2.075 0.750 0.455 0.875 0.500 CB 1.407 15 residues pruned to eliminate duplicates Z: 10 17.154 2.025 0.913 0.406 1.000 0.667 CB 1.629 9 residues pruned to eliminate duplicates Z: 23 21.998 2.029 0.838 0.504 0.864 0.273 CB 1.450 23 residues pruned to eliminate duplicates Z: 14 23.970 1.795 1.001 0.893 1.000 0.769 CA 1.329 14 residues pruned to eliminate duplicates Z: 17 30.909 2.030 0.802 0.879 0.938 0.750 CB 1.634 Z: 13 9.955 2.002 0.810 0.343 0.667 0.417 CB 1.412 17 residues pruned to eliminate duplicates Z: 14 30.186 2.010 1.279 0.901 0.923 0.769 CB 1.413 14 residues pruned to eliminate duplicates Z: 14 32.548 2.135 1.462 0.794 0.846 0.769 CA 1.568 14 residues pruned to eliminate duplicates Z: 8 11.106 1.904 1.090 0.483 0.714 0.429 CB 1.502 7 residues pruned to eliminate duplicates Z: 18 35.344 2.183 1.029 0.848 0.941 0.765 CA 1.526 18 residues pruned to eliminate duplicates Z: 7 7.388 1.446 0.746 0.867 1.000 1.000 CB 0.874 7 residues pruned to eliminate duplicates Z: 16 34.825 2.408 0.650 0.882 0.933 0.800 CA 1.754 16 residues pruned to eliminate duplicates Z: 16 10.880 2.143 0.414 0.294 0.867 0.600 CB 1.347 Z: 21 27.413 2.125 0.997 0.487 0.900 0.600 CB 1.627 11 residues pruned to eliminate duplicates Z: 13 29.550 2.140 1.020 0.905 0.917 0.917 CA 1.532 13 residues pruned to eliminate duplicates Z: 17 17.349 2.121 0.955 0.482 0.812 0.562 CB 1.312 18 residues pruned to eliminate duplicates Z: 12 26.053 1.982 1.244 0.861 1.000 0.636 CB 1.298 12 residues pruned to eliminate duplicates Z: 12 16.681 1.993 1.274 0.536 0.727 0.273 CA 1.473 Z: 13 15.535 1.793 0.527 0.806 0.917 0.667 CB 1.368 Z: 16 21.417 1.767 0.572 0.886 1.000 0.667 CA 1.437 16 residues pruned to eliminate duplicates Z: 22 28.515 2.134 0.998 0.456 0.952 0.667 CB 1.603 11 residues pruned to eliminate duplicates Z: 14 32.605 2.195 1.109 0.901 1.000 0.615 CA 1.394 Z: 9 13.508 1.892 0.890 0.656 0.875 0.750 CB 1.321 Z: 12 22.922 1.900 1.139 0.802 0.909 0.636 CA 1.437 12 residues pruned to eliminate duplicates Z: 18 32.266 2.104 1.093 0.844 0.882 0.588 CB 1.499 18 residues pruned to eliminate duplicates Z: 9 29.733 2.360 0.798 0.893 1.000 1.000 CA 1.778 9 residues pruned to eliminate duplicates Z: 11 39.799 2.338 1.288 0.892 1.000 0.900 CA 1.691 11 residues pruned to eliminate duplicates Z: 19 15.132 2.048 0.823 0.371 0.778 0.500 CB 1.410 19 residues pruned to eliminate duplicates Z: 6 12.708 1.956 0.775 0.836 1.000 0.600 CA 1.225 Z: 54 49.232 2.149 1.190 0.519 0.906 0.547 CB 1.557 17 residues pruned to eliminate duplicates Z: 12 50.806 2.319 1.476 0.923 1.000 0.636 CA 1.875 11 residues pruned to eliminate duplicates Z: 12 38.415 2.232 1.349 0.868 0.909 0.727 CA 1.776 12 residues pruned to eliminate duplicates Z: 10 15.604 1.831 1.276 0.667 0.778 0.444 CA 1.375 10 residues pruned to eliminate duplicates Z: 9 8.500 1.846 1.207 0.383 0.750 0.500 CA 1.114 Z: 13 32.188 2.268 1.321 0.912 1.000 0.833 CB 1.250 13 residues pruned to eliminate duplicates Z: 55 47.185 2.180 0.945 0.498 0.963 0.556 CB 1.575 57 residues pruned to eliminate duplicates Z: 17 27.270 2.109 1.055 0.840 0.875 0.562 CB 1.342 17 residues pruned to eliminate duplicates Z: 11 54.169 2.354 1.803 0.936 1.000 0.700 CB 1.808 11 residues pruned to eliminate duplicates Z: 19 22.585 1.946 0.580 0.832 0.944 0.833 CB 1.377 19 residues pruned to eliminate duplicates Z: 12 38.349 2.293 1.090 0.919 1.000 1.000 CA 1.700 12 residues pruned to eliminate duplicates Z: 13 25.358 2.114 0.590 0.906 1.000 0.917 CA 1.549 13 residues pruned to eliminate duplicates Z: 11 11.292 1.994 0.911 0.434 0.900 0.800 CB 1.115 Z: 16 50.821 2.474 1.206 0.879 0.933 0.533 CA 1.868 16 residues pruned to eliminate duplicates Z: 12 34.053 2.253 0.975 0.868 1.000 0.818 CB 1.686 13 residues pruned to eliminate duplicates Z: 19 32.126 1.951 1.076 0.859 0.889 0.722 CB 1.547 19 residues pruned to eliminate duplicates Z: 17 27.856 2.018 0.570 0.896 0.938 0.812 CA 1.681 17 residues pruned to eliminate duplicates Z: 14 26.668 1.916 1.126 0.838 0.923 0.692 CB 1.470 Z: 8 18.008 2.338 1.036 0.634 0.714 0.286 CB 1.766 8 residues pruned to eliminate duplicates Z: 12 24.237 1.925 0.886 0.861 1.000 0.818 CB 1.478 13 residues pruned to eliminate duplicates Z: 17 14.068 1.995 0.862 0.452 0.812 0.250 CB 1.224 17 residues pruned to eliminate duplicates Z: 15 41.715 2.307 1.159 0.854 1.000 0.714 CB 1.653 14 residues pruned to eliminate duplicates Z: 8 12.142 1.978 1.131 0.778 0.571 0.429 CB 1.491 8 residues pruned to eliminate duplicates Z: 15 28.880 2.119 1.162 0.895 0.929 0.429 CA 1.300 15 residues pruned to eliminate duplicates Z: 14 36.008 2.203 1.230 0.902 1.000 0.692 CB 1.450 15 residues pruned to eliminate duplicates Z: 8 16.449 2.130 1.904 0.604 0.714 0.429 CA 1.274 8 residues pruned to eliminate duplicates Z: 11 20.518 2.010 0.400 0.916 1.000 1.000 CA 1.629 11 residues pruned to eliminate duplicates Z: 19 25.719 2.131 1.129 0.474 0.889 0.389 CA 1.543 15 residues pruned to eliminate duplicates Z: 12 23.358 1.911 1.047 0.860 1.000 0.636 CA 1.323 12 residues pruned to eliminate duplicates Z: 54 55.526 2.183 1.164 0.562 0.981 0.547 CB 1.549 53 residues pruned to eliminate duplicates Z: 7 5.751 2.175 0.424 0.260 0.667 0.500 CB 1.495 Z: 14 30.800 2.185 1.117 0.902 1.000 0.769 CA 1.317 13 residues pruned to eliminate duplicates Z: 6 4.399 1.699 0.748 0.481 0.800 0.600 CA 0.844 Z: 12 35.566 2.358 1.132 0.915 0.909 0.818 CA 1.658 12 residues pruned to eliminate duplicates Z: 11 30.131 2.143 1.149 0.906 1.000 0.900 CB 1.471 12 residues pruned to eliminate duplicates Z: 7 10.220 2.122 0.771 0.708 0.667 0.333 CA 1.379 7 residues pruned to eliminate duplicates Z: 14 37.538 2.267 0.960 0.854 1.000 0.615 CB 1.731 14 residues pruned to eliminate duplicates Z: 9 16.805 2.005 0.952 0.784 1.000 0.750 CB 1.182 Z: 18 24.064 2.192 1.126 0.526 0.882 0.529 CB 1.383 18 residues pruned to eliminate duplicates Z: 35 32.111 2.107 1.173 0.485 0.824 0.441 CB 1.483 35 residues pruned to eliminate duplicates Z: 10 38.693 2.200 1.427 0.913 1.000 0.444 CB 1.710 10 residues pruned to eliminate duplicates Z: 20 13.753 1.979 0.604 0.298 0.842 0.368 CB 1.480 20 residues pruned to eliminate duplicates Z: 8 6.149 2.076 0.876 0.349 0.571 0.286 CB 1.231 Z: 11 12.682 1.901 0.871 0.421 0.900 0.800 CA 1.360 11 residues pruned to eliminate duplicates Z: 13 28.808 2.243 1.200 0.914 0.917 0.833 CB 1.300 13 residues pruned to eliminate duplicates Z: 6 10.107 2.020 0.992 0.557 0.800 0.600 CA 1.328 Z: 16 33.858 2.227 1.000 0.823 0.933 0.800 CA 1.590 16 residues pruned to eliminate duplicates Z: 11 24.632 2.032 1.265 0.886 1.000 0.900 CB 1.221 11 residues pruned to eliminate duplicates Z: 38 29.279 2.079 1.044 0.457 0.838 0.378 CB 1.413 25 residues pruned to eliminate duplicates Z: 60 42.351 2.227 1.008 0.463 0.831 0.559 CB 1.542 83 residues pruned to eliminate duplicates Z: 15 35.962 2.101 0.921 0.880 1.000 0.857 CA 1.726 15 residues pruned to eliminate duplicates Z: 7 6.668 1.501 0.592 0.713 1.000 0.667 N 0.939 Z: 9 7.454 2.030 0.406 0.441 0.875 0.750 CB 1.122 8 residues pruned to eliminate duplicates Z: 18 22.045 2.077 1.012 0.553 0.882 0.412 CB 1.377 Z: 18 31.372 2.077 1.094 0.817 0.882 0.706 CA 1.506 18 residues pruned to eliminate duplicates Z: 18 24.141 1.961 0.671 0.877 0.882 0.824 CA 1.471 17 residues pruned to eliminate duplicates Z: 39 25.383 2.074 0.875 0.346 0.921 0.553 CB 1.359 41 residues pruned to eliminate duplicates Z: 11 28.531 2.066 1.171 0.911 1.000 0.900 CA 1.426 11 residues pruned to eliminate duplicates Z: 9 9.785 2.018 0.868 0.412 0.750 0.625 CB 1.342 8 residues pruned to eliminate duplicates Z: 10 20.849 2.182 0.958 0.587 0.889 0.556 CA 1.684 Z: 14 25.603 2.182 1.070 0.819 0.846 0.692 CA 1.408 14 residues pruned to eliminate duplicates Z: 8 17.533 2.155 0.487 0.895 1.000 0.857 CB 1.483 8 residues pruned to eliminate duplicates Z: 13 27.237 1.971 1.115 0.832 1.000 0.500 CB 1.416 13 residues pruned to eliminate duplicates Z: 16 36.494 2.129 0.956 0.857 1.000 0.667 CA 1.668 16 residues pruned to eliminate duplicates Z: 14 40.914 2.318 1.143 0.876 1.000 0.692 CB 1.660 24 residues pruned to eliminate duplicates Z: 27 29.868 2.069 1.149 0.408 0.923 0.577 CA 1.571 21 residues pruned to eliminate duplicates Z: 8 10.415 1.952 1.262 0.588 1.000 0.857 CB 0.819 6 residues pruned to eliminate duplicates Z: 7 14.280 2.086 0.835 0.534 0.833 0.667 CA 1.769 10 residues pruned to eliminate duplicates Z: 7 17.803 2.089 0.897 0.661 1.000 0.500 CA 1.579 7 residues pruned to eliminate duplicates Z: 23 12.591 1.849 0.608 0.421 0.818 0.591 CB 1.199 15 residues pruned to eliminate duplicates Z: 15 10.750 1.977 0.593 0.352 0.786 0.500 CB 1.362 12 residues pruned to eliminate duplicates Z: 15 33.622 2.123 1.003 0.877 0.929 0.929 CA 1.653 15 residues pruned to eliminate duplicates Z: 14 6.813 1.896 0.461 0.415 0.692 0.462 CB 1.077 Z: 15 22.432 2.058 0.812 0.865 0.929 0.857 CB 1.268 14 residues pruned to eliminate duplicates Z: 14 37.096 2.240 1.094 0.905 1.000 0.923 CB 1.561 14 residues pruned to eliminate duplicates Z: 15 30.850 2.250 0.559 0.881 1.000 0.857 CA 1.702 15 residues pruned to eliminate duplicates Z: 19 14.646 1.989 0.766 0.544 0.833 0.611 CB 1.129 10 residues pruned to eliminate duplicates Z: 12 25.239 1.927 1.179 0.844 1.000 0.545 CB 1.349 12 residues pruned to eliminate duplicates Z: 10 19.868 2.106 0.366 0.931 1.000 1.000 CB 1.608 10 residues pruned to eliminate duplicates Z: 12 20.788 2.175 0.890 0.618 0.909 0.455 CB 1.500 12 residues pruned to eliminate duplicates 7 1.730 1.752 0.205 0.449 0.833 0.667 CB 0.423 ? Z: 16 41.193 2.153 1.088 0.867 1.000 0.800 CA 1.731 17 residues pruned to eliminate duplicates Z: 11 26.176 2.336 1.404 0.662 0.800 0.400 CA 1.585 11 residues pruned to eliminate duplicates Z: 16 33.123 2.117 0.877 0.868 1.000 0.800 CB 1.573 16 residues pruned to eliminate duplicates Z: 11 18.104 2.057 0.817 0.580 1.000 0.700 CB 1.418 12 residues pruned to eliminate duplicates Z: 38 36.110 2.122 1.100 0.534 0.865 0.595 CB 1.489 38 residues pruned to eliminate duplicates Z: 12 36.594 2.280 0.969 0.926 1.000 1.000 CA 1.724 12 residues pruned to eliminate duplicates Z: 16 31.713 2.232 1.145 0.870 0.867 0.733 CB 1.441 16 residues pruned to eliminate duplicates Z: 12 6.367 1.737 0.743 0.174 0.727 0.364 CB 1.294 12 residues pruned to eliminate duplicates Z: 11 25.573 1.961 1.028 0.838 1.000 0.900 CB 1.519 11 residues pruned to eliminate duplicates Z: 14 26.479 2.050 0.917 0.870 0.923 0.846 CA 1.477 14 residues pruned to eliminate duplicates Z: 13 15.869 2.097 1.005 0.436 0.917 0.667 CB 1.270 7 residues pruned to eliminate duplicates Z: 19 34.703 1.941 0.982 0.871 1.000 0.778 CB 1.551 19 residues pruned to eliminate duplicates Z: 12 47.065 2.354 1.296 0.926 1.000 1.000 CA 1.840 12 residues pruned to eliminate duplicates Z: 27 24.891 2.166 0.818 0.498 0.846 0.538 CB 1.467 Z: 28 24.671 2.064 0.880 0.492 0.926 0.481 CB 1.333 20 residues pruned to eliminate duplicates Z: 18 12.563 2.015 0.636 0.373 0.882 0.706 CB 1.200 21 residues pruned to eliminate duplicates Z: 16 33.682 2.109 1.304 0.911 0.867 0.667 CB 1.464 Z: 53 58.915 2.205 1.233 0.607 0.923 0.615 CB 1.623 44 residues pruned to eliminate duplicates Z: 14 36.050 2.205 1.406 0.931 1.000 0.846 CB 1.317 15 residues pruned to eliminate duplicates Z: 8 8.344 1.900 0.572 0.819 0.571 0.429 CB 1.400 Z: 30 27.384 2.081 0.849 0.488 0.897 0.552 CB 1.492 22 residues pruned to eliminate duplicates Z: 12 22.140 1.833 1.107 0.798 1.000 0.727 CB 1.331 11 residues pruned to eliminate duplicates Z: 23 38.545 2.216 1.199 0.704 0.909 0.727 CA 1.542 39 residues pruned to eliminate duplicates Z: 17 15.493 2.114 0.667 0.346 0.812 0.562 CA 1.598 17 residues pruned to eliminate duplicates Z: 20 21.431 1.983 1.404 0.386 0.842 0.368 CB 1.382 20 residues pruned to eliminate duplicates Z: 15 28.443 2.139 1.114 0.877 0.929 0.714 CA 1.315 15 residues pruned to eliminate duplicates Z: 8 16.241 2.083 1.176 0.732 0.714 0.429 CB 1.539 8 residues pruned to eliminate duplicates Z: 9 12.450 1.697 1.027 0.825 0.750 0.625 CB 1.288 Z: 15 34.182 2.176 1.021 0.875 1.000 0.714 CB 1.511 15 residues pruned to eliminate duplicates Z: 8 24.399 2.069 1.385 0.816 0.857 0.571 CA 1.656 8 residues pruned to eliminate duplicates Z: 29 38.041 2.112 0.880 0.646 1.000 0.679 CB 1.579 24 residues pruned to eliminate duplicates Z: 26 24.882 2.052 0.862 0.435 0.840 0.600 CB 1.657 26 residues pruned to eliminate duplicates Z: 16 12.425 1.821 1.025 0.531 0.733 0.600 CB 1.151 25 residues pruned to eliminate duplicates Z: 8 7.740 1.621 0.929 0.303 0.857 0.429 CB 1.360 Z: 15 37.929 2.230 0.946 0.861 1.000 0.714 CB 1.716 15 residues pruned to eliminate duplicates Z: 9 6.765 1.809 0.756 0.484 0.625 0.375 N 1.224 Z: 14 16.577 1.832 0.671 0.891 0.923 0.846 CB 1.169 14 residues pruned to eliminate duplicates Z: 43 46.547 2.256 1.137 0.515 0.905 0.667 CB 1.622 43 residues pruned to eliminate duplicates Z: 27 23.887 2.046 0.863 0.466 0.885 0.500 CB 1.438 27 residues pruned to eliminate duplicates Z: 7 5.349 1.674 0.386 0.540 0.667 0.500 O 1.357 Z: 12 13.200 1.965 0.621 0.648 0.818 0.636 CA 1.330 12 residues pruned to eliminate duplicates Z: 7 6.550 1.759 0.671 0.670 0.667 0.500 N 1.166 7 residues pruned to eliminate duplicates Z: 27 18.058 1.966 0.620 0.392 0.846 0.462 CB 1.473 27 residues pruned to eliminate duplicates Z: 15 38.293 2.275 1.142 0.902 1.000 0.857 CA 1.498 15 residues pruned to eliminate duplicates Z: 12 29.604 2.004 1.261 0.856 1.000 0.727 CB 1.453 13 residues pruned to eliminate duplicates Z: 19 33.188 1.950 1.035 0.880 0.944 0.833 CA 1.513 19 residues pruned to eliminate duplicates Z: 12 22.824 1.945 0.945 0.812 1.000 0.727 CA 1.387 12 residues pruned to eliminate duplicates Z: 6 11.457 1.994 0.808 0.676 1.000 1.000 CB 1.208 Z: 6 7.786 1.826 1.031 0.479 0.800 0.800 CB 1.199 Z: 12 24.312 1.841 1.012 0.880 1.000 0.818 CB 1.434 12 residues pruned to eliminate duplicates Z: 17 32.361 2.060 0.966 0.843 0.938 0.562 CA 1.587 17 residues pruned to eliminate duplicates Z: 11 21.410 2.201 0.762 0.894 0.900 0.900 CA 1.392 11 residues pruned to eliminate duplicates Z: 9 4.241 1.566 0.293 0.753 0.625 0.625 CA 0.945 9 residues pruned to eliminate duplicates Z: 18 39.272 2.012 1.179 0.880 1.000 0.647 CA 1.574 18 residues pruned to eliminate duplicates Z: 16 28.543 2.192 0.901 0.822 0.867 0.600 CA 1.543 16 residues pruned to eliminate duplicates Z: 12 20.566 2.176 1.364 0.549 0.818 0.273 CB 1.404 12 residues pruned to eliminate duplicates Z: 16 39.150 2.179 1.008 0.868 1.000 0.867 CB 1.689 16 residues pruned to eliminate duplicates Z: 17 28.936 2.072 0.811 0.863 0.875 0.688 CA 1.616 15 residues pruned to eliminate duplicates Z: 50 40.369 2.156 1.013 0.536 0.918 0.633 CB 1.396 49 residues pruned to eliminate duplicates Z: 6 17.061 2.080 0.870 0.850 1.000 0.600 CA 1.453 6 residues pruned to eliminate duplicates Z: 16 10.553 1.963 0.669 0.318 0.667 0.400 CA 1.525 16 residues pruned to eliminate duplicates Z: 18 38.737 2.194 1.307 0.858 0.824 0.529 CB 1.660 18 residues pruned to eliminate duplicates Z: 41 23.077 1.999 0.840 0.389 0.925 0.550 CB 1.206 41 residues pruned to eliminate duplicates Z: 11 14.181 1.975 1.150 0.455 0.900 0.800 CB 1.228 11 residues pruned to eliminate duplicates Z: 17 19.145 2.010 0.839 0.430 0.938 0.562 CB 1.485 17 residues pruned to eliminate duplicates Z: 13 27.747 2.174 1.088 0.868 0.917 0.750 CA 1.407 13 residues pruned to eliminate duplicates Z: 15 36.316 2.196 1.186 0.899 1.000 0.786 CA 1.446 Z: 13 7.416 1.913 0.395 0.295 0.667 0.250 N 1.513 13 residues pruned to eliminate duplicates Z: 6 8.719 1.659 0.813 0.690 0.800 0.800 C 1.362 6 residues pruned to eliminate duplicates Z: 8 9.396 1.848 0.856 0.508 1.000 0.571 CB 1.027 8 residues pruned to eliminate duplicates Z: 48 46.079 2.153 1.209 0.509 0.894 0.468 CB 1.567 48 residues pruned to eliminate duplicates Z: 26 23.473 2.081 1.004 0.434 0.800 0.520 CB 1.507 26 residues pruned to eliminate duplicates Z: 15 31.245 2.237 1.138 0.914 0.857 0.714 CA 1.441 15 residues pruned to eliminate duplicates Z: 17 33.111 2.126 1.077 0.890 0.938 0.812 CB 1.438 17 residues pruned to eliminate duplicates Z: 21 23.573 2.048 1.381 0.438 0.800 0.450 CB 1.440 21 residues pruned to eliminate duplicates Z: 6 3.929 1.733 0.586 0.311 0.600 0.600 CA 1.313 6 residues pruned to eliminate duplicates Z: 7 4.460 1.753 0.272 0.530 1.000 0.667 CB 0.793 Z: 9 12.652 1.714 0.525 0.873 0.875 0.750 CB 1.424 Z: 13 45.151 2.144 1.641 0.874 1.000 0.750 CA 1.675 14 residues pruned to eliminate duplicates Z: 12 11.879 2.097 0.687 0.614 0.818 0.364 CB 1.110 12 residues pruned to eliminate duplicates Z: 21 17.934 1.783 0.959 0.434 0.900 0.450 CA 1.367 21 residues pruned to eliminate duplicates Z: 9 12.402 2.072 0.521 0.583 0.875 0.375 CA 1.468 9 residues pruned to eliminate duplicates Z: 18 30.000 1.915 1.062 0.897 0.941 0.765 CB 1.402 18 residues pruned to eliminate duplicates Z: 11 36.940 2.095 1.399 0.930 1.000 1.000 CB 1.626 11 residues pruned to eliminate duplicates Z: 37 39.311 2.209 1.044 0.454 0.889 0.500 CA 1.711 36 residues pruned to eliminate duplicates Z: 35 32.377 2.047 1.158 0.452 0.824 0.471 CA 1.603 35 residues pruned to eliminate duplicates Z: 17 38.724 2.082 1.194 0.873 0.938 0.562 CB 1.647 17 residues pruned to eliminate duplicates Z: 9 8.545 1.864 0.817 0.434 0.750 0.250 N 1.273 7 residues pruned to eliminate duplicates Z: 24 36.859 2.166 1.184 0.664 0.913 0.783 CB 1.530 39 residues pruned to eliminate duplicates Z: 12 22.995 1.952 0.803 0.818 1.000 0.636 CB 1.495 12 residues pruned to eliminate duplicates Z: 8 10.082 2.123 0.466 0.823 0.571 0.429 CB 1.620 7 residues pruned to eliminate duplicates Z: 6 4.432 1.984 0.354 0.300 0.600 0.600 O 1.538 Z: 81 52.051 2.112 1.012 0.536 0.850 0.488 CB 1.554 84 residues pruned to eliminate duplicates Z: 19 18.585 2.087 0.691 0.309 1.000 0.444 CB 1.534 12 residues pruned to eliminate duplicates Z: 17 33.705 2.096 1.192 0.888 0.938 0.625 CA 1.409 17 residues pruned to eliminate duplicates Z: 13 25.406 2.227 0.510 0.926 1.000 0.917 CB 1.530 13 residues pruned to eliminate duplicates Z: 27 19.043 1.987 0.781 0.449 0.769 0.462 CB 1.445 27 residues pruned to eliminate duplicates Z: 17 32.627 2.066 1.029 0.820 0.938 0.562 CA 1.572 17 residues pruned to eliminate duplicates Z: 33 45.345 2.175 1.255 0.548 0.969 0.562 CB 1.610 33 residues pruned to eliminate duplicates Z: 11 40.610 2.369 1.174 0.895 1.000 0.900 CA 1.788 11 residues pruned to eliminate duplicates Z: 16 18.754 2.141 0.989 0.509 0.800 0.600 CB 1.409 16 residues pruned to eliminate duplicates Z: 23 34.687 2.066 1.158 0.645 0.955 0.636 CA 1.518 15 residues pruned to eliminate duplicates Z: 9 8.181 1.857 1.068 0.428 0.750 0.625 CB 1.082 11 residues pruned to eliminate duplicates Z: 10 6.117 2.016 0.204 0.358 0.778 0.444 CB 1.259 Z: 22 22.980 2.127 1.142 0.409 0.762 0.381 CB 1.589 16 residues pruned to eliminate duplicates Z: 8 9.271 1.959 0.793 0.348 0.714 0.571 CB 1.647 8 residues pruned to eliminate duplicates Z: 9 14.164 1.751 0.822 0.714 0.875 0.750 CB 1.478 9 residues pruned to eliminate duplicates Z: 15 16.396 2.163 0.573 0.414 0.857 0.571 CB 1.644 15 residues pruned to eliminate duplicates Z: 8 15.575 1.949 1.214 0.749 0.714 0.571 CA 1.529 8 residues pruned to eliminate duplicates Z: 16 44.047 2.231 1.220 0.862 1.000 0.667 CB 1.686 15 residues pruned to eliminate duplicates Z: 13 19.284 2.126 1.127 0.662 0.750 0.417 CA 1.413 13 residues pruned to eliminate duplicates Z: 13 26.919 1.946 0.930 0.918 1.000 0.917 CA 1.459 13 residues pruned to eliminate duplicates Z: 8 19.324 2.102 0.753 0.905 0.857 0.714 CB 1.645 9 residues pruned to eliminate duplicates Z: 8 9.186 1.898 0.349 0.748 0.714 0.429 CB 1.521 9 residues pruned to eliminate duplicates Z: 41 30.576 2.115 1.147 0.546 0.750 0.450 CB 1.357 69 residues pruned to eliminate duplicates Z: 9 14.645 1.780 0.660 0.848 0.875 0.500 CA 1.486 9 residues pruned to eliminate duplicates Z: 16 30.366 2.115 0.776 0.889 0.933 0.800 CA 1.610 16 residues pruned to eliminate duplicates Z: 11 24.444 1.916 1.307 0.865 1.000 0.700 CB 1.281 11 residues pruned to eliminate duplicates Z: 6 15.974 2.078 0.707 0.855 1.000 0.600 CA 1.487 6 residues pruned to eliminate duplicates Z: 19 17.960 2.089 0.642 0.376 0.889 0.444 CB 1.585 19 residues pruned to eliminate duplicates Z: 12 21.516 1.945 0.841 0.893 1.000 0.636 CA 1.300 12 residues pruned to eliminate duplicates Z: 9 15.102 1.882 0.649 0.824 0.875 0.625 N 1.485 9 residues pruned to eliminate duplicates Z: 43 24.423 2.021 0.770 0.380 0.857 0.429 CB 1.397 43 residues pruned to eliminate duplicates Z: 14 16.392 1.925 0.512 0.842 0.923 0.769 CA 1.262 Z: 7 8.136 1.991 1.062 0.529 0.500 0.333 CB 1.573 7 residues pruned to eliminate duplicates Z: 57 42.669 2.198 0.978 0.471 0.857 0.464 CB 1.576 23 residues pruned to eliminate duplicates Z: 16 24.209 2.237 1.193 0.492 0.800 0.467 CB 1.605 16 residues pruned to eliminate duplicates Z: 28 23.825 2.197 0.834 0.418 0.852 0.519 CB 1.455 28 residues pruned to eliminate duplicates Z: 29 21.590 2.016 1.097 0.357 0.786 0.500 CB 1.434 29 residues pruned to eliminate duplicates Z: 15 16.332 2.214 0.711 0.318 0.857 0.429 CB 1.644 Z: 13 10.289 1.714 0.983 0.323 0.833 0.250 CB 1.274 10 residues pruned to eliminate duplicates Z: 8 5.286 1.956 0.461 0.280 0.571 0.143 CB 1.568 Z: 11 7.412 2.009 0.631 0.334 0.800 0.500 CB 1.072 11 residues pruned to eliminate duplicates Z: 23 35.223 2.142 1.024 0.688 0.909 0.682 CB 1.604 15 residues pruned to eliminate duplicates Z: 16 32.132 2.013 1.177 0.885 0.933 0.600 CA 1.465 16 residues pruned to eliminate duplicates Z: 16 36.696 2.175 0.982 0.835 0.933 0.733 CA 1.764 16 residues pruned to eliminate duplicates Z: 10 8.396 1.764 1.083 0.334 0.778 0.667 CB 1.174 4 residues pruned to eliminate duplicates Z: 17 12.940 1.846 0.780 0.353 0.750 0.500 CB 1.539 17 residues pruned to eliminate duplicates Z: 14 8.872 1.887 0.837 0.475 0.769 0.615 CB 0.946 14 residues pruned to eliminate duplicates Z: 11 11.205 2.108 0.643 0.466 0.800 0.400 CB 1.324 11 residues pruned to eliminate duplicates Z: 17 14.455 2.066 0.577 0.378 0.875 0.500 CB 1.443 16 residues pruned to eliminate duplicates Z: 12 11.006 1.885 0.826 0.353 0.818 0.636 CA 1.381 8 residues pruned to eliminate duplicates Z: 21 16.247 1.873 0.876 0.468 0.800 0.550 CB 1.334 21 residues pruned to eliminate duplicates Z: 29 35.114 2.031 1.054 0.605 0.929 0.607 CB 1.550 29 residues pruned to eliminate duplicates Z: 15 39.995 2.147 1.210 0.850 1.000 0.714 CB 1.669 15 residues pruned to eliminate duplicates Z: 27 30.397 2.084 0.956 0.530 0.962 0.654 CB 1.477 27 residues pruned to eliminate duplicates Z: 31 25.994 2.032 0.827 0.474 0.867 0.433 CB 1.514 44 residues pruned to eliminate duplicates Z: 13 15.746 1.715 0.741 0.860 1.000 0.833 CA 1.120 13 residues pruned to eliminate duplicates Z: 10 8.137 2.231 0.180 0.361 0.889 0.667 CB 1.347 10 residues pruned to eliminate duplicates Z: 9 3.656 1.787 0.454 0.266 0.500 0.375 CB 1.299 Z: 30 33.838 2.104 1.135 0.563 0.862 0.655 CB 1.527 36 residues pruned to eliminate duplicates Z: 12 24.210 1.961 0.780 0.877 1.000 1.000 CA 1.519 12 residues pruned to eliminate duplicates Z: 11 7.396 1.900 0.546 0.347 0.800 0.300 CB 1.174 11 residues pruned to eliminate duplicates Z: 7 11.204 1.914 0.853 0.784 1.000 0.667 N 1.004 Z: 8 9.885 1.914 1.350 0.694 0.571 0.286 CB 1.217 8 residues pruned to eliminate duplicates Z: 17 31.629 2.109 0.862 0.883 0.938 0.875 CB 1.553 17 residues pruned to eliminate duplicates Z: 12 20.832 1.921 0.915 0.867 1.000 0.818 CB 1.249 12 residues pruned to eliminate duplicates Z: 6 5.361 1.457 0.578 0.622 0.800 0.400 CA 1.162 6 residues pruned to eliminate duplicates Z: 21 7.904 1.768 0.570 0.341 0.800 0.400 CB 0.946 Z: 10 10.466 1.576 0.452 0.831 0.889 0.556 CB 1.289 10 residues pruned to eliminate duplicates Z: 15 17.872 2.069 0.836 0.424 0.857 0.714 CB 1.588 15 residues pruned to eliminate duplicates Z: 12 9.224 1.893 1.041 0.352 0.636 0.364 CB 1.328 6 residues pruned to eliminate duplicates Z: 6 17.575 1.852 1.278 0.661 1.000 1.000 CA 1.605 Z: 16 13.875 1.953 0.617 0.504 0.800 0.467 CB 1.413 Z: 25 28.722 2.164 1.141 0.484 0.875 0.542 CB 1.469 25 residues pruned to eliminate duplicates Z: 10 10.473 1.873 0.625 0.345 0.889 0.444 N 1.526 Z: 19 21.682 2.137 1.023 0.491 0.833 0.278 CB 1.431 15 residues pruned to eliminate duplicates Z: 12 24.910 1.863 1.231 0.844 1.000 0.636 CB 1.345 12 residues pruned to eliminate duplicates Z: 9 17.335 1.750 0.839 0.850 1.000 0.750 CB 1.410 9 residues pruned to eliminate duplicates Z: 8 11.939 1.848 0.895 0.609 0.857 0.857 N 1.355 Z: 10 7.905 1.733 0.773 0.473 0.889 0.667 CB 0.991 10 residues pruned to eliminate duplicates Z: 9 9.913 1.919 0.854 0.363 0.750 0.500 CA 1.521 9 residues pruned to eliminate duplicates Z: 12 27.500 1.940 0.966 0.896 1.000 1.000 CA 1.558 12 residues pruned to eliminate duplicates Z: 26 19.785 2.092 0.703 0.456 0.840 0.360 CB 1.384 26 residues pruned to eliminate duplicates Z: 27 26.530 2.119 0.929 0.410 0.846 0.423 CB 1.654 23 residues pruned to eliminate duplicates Z: 6 4.373 1.690 -0.001 0.628 0.800 0.600 O 1.284 6 residues pruned to eliminate duplicates Z: 23 30.416 2.127 1.206 0.509 0.864 0.591 CB 1.586 27 residues pruned to eliminate duplicates Z: 17 17.790 2.091 1.164 0.300 0.812 0.688 CB 1.513 17 residues pruned to eliminate duplicates Z: 26 19.328 2.038 0.951 0.480 0.800 0.480 CB 1.241 26 residues pruned to eliminate duplicates Z: 15 29.626 2.013 1.175 0.895 1.000 0.643 CA 1.297 15 residues pruned to eliminate duplicates Z: 24 31.035 2.154 1.123 0.510 0.913 0.565 CB 1.535 24 residues pruned to eliminate duplicates Z: 8 15.631 1.797 0.768 0.808 1.000 0.714 CA 1.421 8 residues pruned to eliminate duplicates Z: 6 3.503 1.866 0.612 0.355 0.600 0.600 CB 1.016 6 residues pruned to eliminate duplicates Z: 96 63.424 2.177 1.094 0.547 0.895 0.516 CB 1.525 83 residues pruned to eliminate duplicates Z: 47 35.389 2.139 0.930 0.494 0.848 0.696 CB 1.500 84 residues pruned to eliminate duplicates Z: 6 8.884 1.802 1.262 0.462 0.800 0.600 CB 1.267 Z: 8 3.111 1.712 1.011 0.255 0.429 0.429 N 1.055 Z: 11 16.020 2.114 1.056 0.561 0.800 0.300 CB 1.372 11 residues pruned to eliminate duplicates Z: 16 45.699 2.190 1.264 0.881 1.000 0.733 CA 1.723 16 residues pruned to eliminate duplicates Z: 8 8.370 2.144 0.108 0.681 0.857 0.571 CB 1.317 8 residues pruned to eliminate duplicates Z: 21 20.796 2.079 1.150 0.479 0.750 0.400 CB 1.417 Z: 9 8.961 1.939 0.161 0.810 0.750 0.500 CB 1.433 9 residues pruned to eliminate duplicates Z: 16 33.426 2.163 1.255 0.923 0.867 0.800 CA 1.435 16 residues pruned to eliminate duplicates Z: 9 5.816 1.952 0.462 0.198 1.000 0.500 CB 1.033 5 residues pruned to eliminate duplicates Z: 16 36.075 2.133 1.212 0.910 1.000 0.867 CA 1.401 16 residues pruned to eliminate duplicates Z: 6 5.772 1.911 0.617 0.479 0.800 0.400 CB 1.067 6 residues pruned to eliminate duplicates Z: 81 54.761 2.180 1.151 0.474 0.863 0.575 CB 1.553 85 residues pruned to eliminate duplicates Z: 17 16.732 1.706 0.658 0.831 1.000 0.812 CA 1.111 17 residues pruned to eliminate duplicates Z: 6 10.080 1.901 0.475 0.622 1.000 0.800 O 1.433 Z: 15 11.738 1.823 0.848 0.457 0.857 0.571 CB 1.134 15 residues pruned to eliminate duplicates Z: 7 5.548 1.813 0.637 0.511 0.833 0.833 CB 0.906 7 residues pruned to eliminate duplicates Z: 33 40.735 2.307 1.031 0.511 0.938 0.625 CB 1.623 34 residues pruned to eliminate duplicates Z: 7 8.406 1.878 0.727 0.823 0.667 0.667 CB 1.200 7 residues pruned to eliminate duplicates Z: 22 28.141 2.064 0.751 0.724 0.952 0.619 CA 1.458 22 residues pruned to eliminate duplicates Z: 50 46.791 2.186 1.164 0.501 0.918 0.612 CB 1.537 50 residues pruned to eliminate duplicates Z: 6 5.244 1.821 0.848 0.293 0.600 0.600 N 1.464 Z: 15 25.948 2.207 0.652 0.841 0.857 0.786 CB 1.655 15 residues pruned to eliminate duplicates Z: 12 9.596 1.988 0.252 0.558 0.727 0.727 CB 1.511 9 residues pruned to eliminate duplicates Z: 8 16.221 1.893 0.737 0.839 1.000 0.571 CA 1.393 8 residues pruned to eliminate duplicates Z: 17 23.895 1.946 0.922 0.850 0.938 0.812 CA 1.262 17 residues pruned to eliminate duplicates Z: 77 58.204 2.121 1.217 0.527 0.882 0.539 CB 1.567 77 residues pruned to eliminate duplicates Z: 23 21.053 2.138 0.884 0.404 0.818 0.455 CB 1.506 23 residues pruned to eliminate duplicates Z: 9 10.725 1.746 0.556 0.793 0.750 0.375 CB 1.439 9 residues pruned to eliminate duplicates Z: 11 22.978 1.954 1.122 0.862 1.000 0.900 CB 1.286 12 residues pruned to eliminate duplicates Z: 7 6.108 1.726 0.782 0.421 0.667 0.333 O 1.320 7 residues pruned to eliminate duplicates Z: 45 39.612 2.220 1.013 0.515 0.818 0.523 CB 1.610 45 residues pruned to eliminate duplicates Z: 20 24.567 2.073 0.998 0.437 0.947 0.579 CB 1.532 20 residues pruned to eliminate duplicates Z: 10 24.562 2.093 0.843 0.898 1.000 0.556 CB 1.518 10 residues pruned to eliminate duplicates Z: 22 26.654 2.106 1.142 0.446 0.857 0.524 CA 1.590 27 residues pruned to eliminate duplicates Z: 19 26.362 2.107 1.116 0.601 0.833 0.667 CB 1.519 19 residues pruned to eliminate duplicates Z: 21 18.041 1.902 1.145 0.322 0.800 0.500 CB 1.503 Z: 23 15.390 2.042 0.584 0.508 0.773 0.545 CB 1.302 23 residues pruned to eliminate duplicates Z: 25 22.213 2.035 0.826 0.517 0.875 0.542 CB 1.371 31 residues pruned to eliminate duplicates Z: 33 38.672 2.235 1.152 0.566 0.938 0.469 CB 1.422 33 residues pruned to eliminate duplicates Z: 14 21.420 1.997 0.968 0.593 0.923 0.615 CA 1.498 14 residues pruned to eliminate duplicates Z: 7 5.001 1.821 0.301 0.424 0.833 0.333 CB 1.119 7 residues pruned to eliminate duplicates Z: 11 13.612 1.946 0.359 0.721 0.800 0.800 CA 1.666 11 residues pruned to eliminate duplicates Z: 11 17.393 2.041 0.934 0.728 0.800 0.300 CA 1.418 11 residues pruned to eliminate duplicates Z: 9 11.679 1.920 0.782 0.482 0.875 0.500 CB 1.404 9 residues pruned to eliminate duplicates Z: 12 33.859 2.019 1.233 0.890 1.000 0.636 CA 1.629 Z: 14 29.926 2.191 1.212 0.898 0.923 0.692 CA 1.327 14 residues pruned to eliminate duplicates Z: 10 3.273 1.567 -0.101 0.244 0.778 0.333 CA 1.338 Z: 6 7.987 1.814 0.529 0.651 0.800 0.800 CA 1.398 6 residues pruned to eliminate duplicates Z: 61 44.313 2.254 0.918 0.464 0.817 0.517 CB 1.680 61 residues pruned to eliminate duplicates Z: 31 32.796 2.163 0.863 0.536 0.933 0.767 CB 1.536 31 residues pruned to eliminate duplicates Z: 7 3.227 1.473 0.868 0.256 0.833 0.500 CB 0.760 7 residues pruned to eliminate duplicates Z: 24 26.137 2.111 0.963 0.522 0.913 0.609 CB 1.410 24 residues pruned to eliminate duplicates Z: 6 6.448 1.588 0.624 0.768 1.000 0.600 N 0.882 Z: 24 28.983 2.054 0.848 0.683 0.957 0.783 CB 1.407 24 residues pruned to eliminate duplicates Z: 63 49.746 2.177 1.066 0.503 0.903 0.435 CB 1.549 63 residues pruned to eliminate duplicates Z: 13 38.603 2.130 1.369 0.926 1.000 0.917 CA 1.548 13 residues pruned to eliminate duplicates Z: 16 38.866 2.120 1.048 0.844 1.000 0.867 CA 1.719 16 residues pruned to eliminate duplicates Z: 22 13.973 1.931 0.954 0.315 0.810 0.524 CB 1.224 22 residues pruned to eliminate duplicates Z: 28 36.472 2.157 1.072 0.635 0.889 0.741 CB 1.556 28 residues pruned to eliminate duplicates Z: 14 43.399 2.276 1.344 0.884 0.923 0.692 CA 1.766 14 residues pruned to eliminate duplicates Z: 8 3.249 1.718 -0.116 0.563 0.857 0.571 CB 0.887 Z: 19 9.717 1.968 0.449 0.377 0.722 0.500 CB 1.268 19 residues pruned to eliminate duplicates Z: 16 21.333 2.024 0.933 0.805 0.867 0.733 CA 1.244 16 residues pruned to eliminate duplicates Z: 48 45.205 2.125 1.218 0.486 0.894 0.596 CB 1.588 48 residues pruned to eliminate duplicates Z: 18 22.915 2.131 0.983 0.435 0.882 0.647 CB 1.595 18 residues pruned to eliminate duplicates Z: 13 21.634 1.792 1.024 0.862 0.917 0.667 CA 1.379 13 residues pruned to eliminate duplicates Z: 41 39.075 2.162 0.920 0.552 0.900 0.550 CB 1.573 41 residues pruned to eliminate duplicates Z: 18 13.138 2.027 0.422 0.295 0.882 0.588 CB 1.576 16 residues pruned to eliminate duplicates Z: 10 14.741 2.147 0.518 0.489 1.000 0.667 CB 1.526 11 residues pruned to eliminate duplicates Z: 9 11.586 1.771 0.588 0.853 0.750 0.750 N 1.435 9 residues pruned to eliminate duplicates Z: 14 21.740 2.137 0.333 0.901 1.000 0.846 CA 1.511 14 residues pruned to eliminate duplicates Z: 13 31.755 2.105 1.119 0.931 1.000 0.833 CA 1.436 13 residues pruned to eliminate duplicates Z: 12 35.316 2.333 1.206 0.932 1.000 0.818 CB 1.444 12 residues pruned to eliminate duplicates Z: 8 7.792 1.752 0.990 0.597 0.714 0.571 O 1.077 Z: 25 18.694 1.938 1.058 0.431 0.708 0.417 CB 1.451 29 residues pruned to eliminate duplicates Z: 10 8.250 1.782 0.906 0.398 0.667 0.222 CB 1.353 10 residues pruned to eliminate duplicates Z: 24 34.194 2.051 0.959 0.661 1.000 0.696 CA 1.530 23 residues pruned to eliminate duplicates Z: 8 18.397 1.902 1.042 0.882 0.857 0.571 CB 1.511 8 residues pruned to eliminate duplicates Z: 12 22.620 1.988 0.863 0.903 0.909 0.818 CB 1.445 12 residues pruned to eliminate duplicates Z: 6 3.976 1.618 0.757 0.404 0.600 0.400 N 1.152 Z: 12 40.307 2.084 1.551 0.926 1.000 1.000 CB 1.603 12 residues pruned to eliminate duplicates Z: 24 18.867 1.894 1.132 0.366 0.739 0.435 CA 1.523 25 residues pruned to eliminate duplicates Z: 20 18.351 2.004 0.977 0.427 0.895 0.368 CB 1.281 8 residues pruned to eliminate duplicates Z: 10 6.368 1.812 0.541 0.405 0.667 0.556 CB 1.259 10 residues pruned to eliminate duplicates Z: 9 4.964 1.573 0.445 0.501 0.875 0.375 CB 0.881 9 residues pruned to eliminate duplicates Z: 12 31.959 2.151 1.057 0.913 1.000 0.818 CB 1.541 12 residues pruned to eliminate duplicates Z: 10 16.302 2.011 0.799 0.426 1.000 0.778 CB 1.622 10 residues pruned to eliminate duplicates Z: 6 9.877 1.993 0.565 0.613 1.000 0.800 N 1.272 7 residues pruned to eliminate duplicates Z: 12 10.887 1.791 0.558 0.529 0.909 0.636 CB 1.258 Z: 16 30.122 2.127 1.104 0.910 0.933 0.733 CA 1.320 16 residues pruned to eliminate duplicates Z: 31 27.640 2.093 0.977 0.531 0.900 0.467 CB 1.314 31 residues pruned to eliminate duplicates Z: 7 3.516 1.632 0.243 0.360 0.833 0.667 CB 0.987 Z: 16 17.476 2.145 0.484 0.524 0.933 0.667 CB 1.483 14 residues pruned to eliminate duplicates Z: 8 7.445 1.640 0.844 0.418 0.857 0.429 N 1.182 Z: 6 10.586 1.914 0.503 0.802 1.000 0.800 CA 1.264 6 residues pruned to eliminate duplicates Z: 15 15.196 1.962 0.540 0.561 0.929 0.429 CB 1.366 15 residues pruned to eliminate duplicates Z: 10 8.244 1.961 0.498 0.257 0.889 0.556 CB 1.390 10 residues pruned to eliminate duplicates Z: 7 4.776 1.635 0.334 0.442 0.833 0.667 CA 1.139 7 residues pruned to eliminate duplicates Z: 27 31.378 2.171 1.013 0.522 0.923 0.462 CB 1.492 28 residues pruned to eliminate duplicates Z: 15 21.258 2.121 0.913 0.753 0.929 0.714 CB 1.204 15 residues pruned to eliminate duplicates Z: 6 16.761 2.179 1.302 0.690 0.800 0.200 CB 1.569 6 residues pruned to eliminate duplicates Z: 25 25.381 1.957 1.082 0.531 0.875 0.542 CB 1.410 25 residues pruned to eliminate duplicates Z: 17 17.282 2.015 0.913 0.529 0.938 0.625 CB 1.161 21 residues pruned to eliminate duplicates Z: 13 26.517 2.162 0.980 0.869 1.000 0.750 CA 1.306 13 residues pruned to eliminate duplicates Z: 47 40.894 2.234 1.033 0.528 0.935 0.435 CB 1.381 41 residues pruned to eliminate duplicates Z: 11 21.207 1.967 1.152 0.558 1.000 0.600 CB 1.497 10 residues pruned to eliminate duplicates Z: 10 6.371 1.863 0.653 0.373 0.667 0.556 CB 1.185 Z: 13 29.899 2.027 1.232 0.869 1.000 0.750 CB 1.393 13 residues pruned to eliminate duplicates 6 1.971 1.561 0.138 0.299 0.600 0.400 C 1.035 ? Z: 13 24.367 1.994 1.191 0.787 0.917 0.500 CB 1.364 13 residues pruned to eliminate duplicates Z: 10 4.482 1.661 0.478 0.403 0.778 0.556 CB 0.867 Z: 12 14.687 1.842 0.988 0.523 1.000 0.636 CB 1.182 12 residues pruned to eliminate duplicates Z: 6 13.870 2.195 1.180 0.646 0.800 0.800 CB 1.414 7 residues pruned to eliminate duplicates Z: 7 2.115 1.374 -0.035 0.627 0.667 0.667 CB 0.867 Z: 7 21.099 2.003 0.910 0.903 1.000 0.333 CB 1.604 7 residues pruned to eliminate duplicates Z: 7 2.420 1.669 0.120 0.372 0.833 0.500 CB 0.727 Z: 10 23.796 2.057 0.793 0.913 1.000 1.000 CB 1.523 10 residues pruned to eliminate duplicates Z: 22 36.758 2.155 1.115 0.763 0.952 0.810 CA 1.463 24 residues pruned to eliminate duplicates Z: 20 19.034 2.011 0.787 0.472 0.895 0.474 CB 1.396 20 residues pruned to eliminate duplicates Z: 9 4.284 1.675 -0.024 0.648 0.875 0.625 CB 0.922 5 residues pruned to eliminate duplicates Z: 28 24.489 2.008 0.964 0.549 0.815 0.519 CB 1.398 37 residues pruned to eliminate duplicates Z: 10 10.752 1.776 0.603 0.506 1.000 0.556 CA 1.252 10 residues pruned to eliminate duplicates Z: 16 49.640 2.453 1.176 0.883 1.000 0.667 CA 1.736 16 residues pruned to eliminate duplicates Z: 9 23.631 1.996 1.622 0.755 0.875 0.625 CA 1.454 9 residues pruned to eliminate duplicates Z: 17 12.647 1.905 0.603 0.352 0.875 0.312 CB 1.389 17 residues pruned to eliminate duplicates Z: 8 17.654 2.082 0.804 0.836 0.857 0.571 CB 1.552 8 residues pruned to eliminate duplicates Z: 9 12.530 1.670 0.726 0.744 1.000 0.375 N 1.236 9 residues pruned to eliminate duplicates Z: 30 15.059 1.927 0.779 0.378 0.862 0.483 CB 1.078 41 residues pruned to eliminate duplicates Z: 16 21.641 2.097 1.127 0.415 0.933 0.733 CB 1.466 16 residues pruned to eliminate duplicates Z: 6 2.654 1.711 0.500 0.222 0.800 0.200 CB 0.801 Z: 10 9.229 1.727 0.458 0.510 1.000 0.444 CB 1.210 10 residues pruned to eliminate duplicates Z: 18 28.166 2.034 1.126 0.903 0.941 0.471 CB 1.197 18 residues pruned to eliminate duplicates Z: 6 7.992 1.696 0.644 0.686 0.800 0.400 CA 1.351 6 residues pruned to eliminate duplicates Z: 9 5.632 1.659 0.217 0.632 0.625 0.500 O 1.393 9 residues pruned to eliminate duplicates Z: 13 17.478 1.835 0.853 0.808 0.917 0.833 CB 1.237 13 residues pruned to eliminate duplicates Z: 6 4.721 1.709 -0.228 0.599 1.000 0.600 N 1.456 Z: 28 17.596 2.090 0.904 0.369 0.815 0.519 CB 1.202 28 residues pruned to eliminate duplicates Z: 27 21.671 1.914 0.882 0.471 0.885 0.577 CB 1.374 27 residues pruned to eliminate duplicates Z: 28 35.774 2.246 1.090 0.572 0.852 0.630 CB 1.607 28 residues pruned to eliminate duplicates Z: 31 32.317 2.184 1.127 0.538 0.833 0.400 CB 1.469 31 residues pruned to eliminate duplicates Z: 12 17.553 1.995 1.019 0.571 1.000 0.727 CB 1.227 12 residues pruned to eliminate duplicates Z: 10 11.850 1.822 0.741 0.596 0.889 0.778 N 1.278 Z: 11 17.174 2.213 1.047 0.529 0.700 0.500 CA 1.666 11 residues pruned to eliminate duplicates Z: 9 16.847 1.720 0.755 0.862 1.000 0.875 CB 1.449 9 residues pruned to eliminate duplicates Z: 9 10.141 1.892 0.940 0.632 0.625 0.500 CB 1.381 9 residues pruned to eliminate duplicates Z: 10 14.958 1.908 0.984 0.480 0.889 0.667 CB 1.511 10 residues pruned to eliminate duplicates Z: 13 28.694 2.009 1.111 0.863 1.000 0.417 CB 1.433 13 residues pruned to eliminate duplicates Z: 6 3.278 1.681 0.108 0.516 0.600 0.400 CB 1.291 Z: 12 22.182 1.918 0.993 0.875 1.000 0.909 CA 1.272 12 residues pruned to eliminate duplicates Z: 10 13.464 1.774 0.735 0.710 0.889 0.333 CB 1.356 10 residues pruned to eliminate duplicates Z: 6 4.856 1.435 0.737 0.603 0.800 0.600 N 0.987 Z: 7 8.101 1.631 0.721 0.529 0.833 0.833 O 1.375 7 residues pruned to eliminate duplicates Z: 20 15.088 2.061 0.657 0.279 0.842 0.421 CA 1.544 20 residues pruned to eliminate duplicates Z: 72 49.934 2.162 1.045 0.501 0.859 0.577 CB 1.558 72 residues pruned to eliminate duplicates Z: 14 20.803 2.162 0.843 0.435 0.923 0.462 CB 1.678 18 residues pruned to eliminate duplicates Z: 15 18.001 1.923 0.909 0.702 1.000 0.643 CB 1.090 Z: 51 42.916 2.188 0.985 0.535 0.860 0.520 CB 1.570 58 residues pruned to eliminate duplicates Z: 9 3.794 1.797 0.474 0.091 0.625 0.250 CB 1.370 9 residues pruned to eliminate duplicates 6 1.183 1.371 0.579 0.331 0.600 0.400 CB 0.490 ? Z: 12 8.184 1.983 0.404 0.350 0.818 0.455 CB 1.274 12 residues pruned to eliminate duplicates Z: 32 34.205 2.230 0.980 0.509 0.903 0.742 CB 1.527 33 residues pruned to eliminate duplicates Z: 9 12.904 1.768 0.920 0.534 1.000 0.750 O 1.299 9 residues pruned to eliminate duplicates Z: 19 13.850 1.972 0.825 0.377 0.833 0.611 CB 1.242 19 residues pruned to eliminate duplicates Z: 29 17.273 1.993 0.545 0.438 0.857 0.464 CB 1.319 30 residues pruned to eliminate duplicates Z: 29 22.592 1.943 1.005 0.455 0.786 0.464 CB 1.461 30 residues pruned to eliminate duplicates Z: 30 49.388 2.268 1.195 0.623 1.000 0.759 CB 1.640 30 residues pruned to eliminate duplicates Z: 23 27.346 2.113 1.044 0.492 0.864 0.455 CB 1.575 24 residues pruned to eliminate duplicates Z: 16 27.254 2.033 1.050 0.902 1.000 0.800 CA 1.204 16 residues pruned to eliminate duplicates Z: 8 8.549 1.882 -0.014 0.732 1.000 0.857 CB 1.413 Z: 21 15.639 2.034 0.891 0.459 0.700 0.450 CB 1.354 21 residues pruned to eliminate duplicates Z: 13 5.008 1.591 0.478 0.311 0.833 0.500 CB 0.910 13 residues pruned to eliminate duplicates Z: 6 3.943 1.753 0.369 0.335 0.600 0.600 CB 1.466 6 residues pruned to eliminate duplicates Z: 11 16.761 2.145 0.953 0.570 0.800 0.500 CB 1.479 11 residues pruned to eliminate duplicates Z: 29 31.884 2.174 1.106 0.552 0.857 0.393 CB 1.460 29 residues pruned to eliminate duplicates Z: 15 38.386 2.152 1.045 0.886 1.000 0.929 CB 1.682 15 residues pruned to eliminate duplicates Z: 8 2.984 1.598 0.099 0.407 0.714 0.429 CB 0.990 Z: 25 22.109 2.101 0.987 0.387 0.875 0.500 CB 1.392 25 residues pruned to eliminate duplicates Z: 16 28.674 2.171 1.096 0.581 0.933 0.533 CB 1.612 21 residues pruned to eliminate duplicates Z: 7 9.830 1.913 0.521 0.882 0.833 0.667 CB 1.198 7 residues pruned to eliminate duplicates Z: 14 37.586 2.221 1.197 0.908 1.000 0.923 CB 1.517 14 residues pruned to eliminate duplicates Z: 83 50.858 2.066 1.037 0.565 0.890 0.500 CB 1.407 83 residues pruned to eliminate duplicates Z: 71 45.723 2.091 0.951 0.505 0.929 0.471 CB 1.436 71 residues pruned to eliminate duplicates Z: 46 33.745 2.102 1.028 0.449 0.911 0.556 CB 1.366 46 residues pruned to eliminate duplicates Z: 13 7.561 1.951 0.644 0.262 0.667 0.583 CB 1.341 Z: 6 7.946 1.761 0.625 0.796 0.800 0.800 CA 1.198 6 residues pruned to eliminate duplicates Z: 7 16.622 2.099 0.675 0.899 0.833 0.667 CB 1.655 7 residues pruned to eliminate duplicates Z: 31 31.219 2.174 0.960 0.494 0.933 0.633 CB 1.442 31 residues pruned to eliminate duplicates Z: 18 19.457 2.098 1.012 0.418 0.824 0.471 CB 1.479 18 residues pruned to eliminate duplicates Z: 22 14.020 1.924 0.895 0.353 0.810 0.429 CB 1.216 22 residues pruned to eliminate duplicates Z: 20 24.247 2.106 0.880 0.675 0.842 0.789 CB 1.420 20 residues pruned to eliminate duplicates Z: 21 15.498 1.872 0.528 0.452 0.900 0.300 CB 1.414 21 residues pruned to eliminate duplicates Z: 18 27.994 2.179 1.061 0.656 0.882 0.706 CB 1.482 18 residues pruned to eliminate duplicates Z: 15 27.696 2.159 1.004 0.868 0.857 0.714 CA 1.459 15 residues pruned to eliminate duplicates Z: 13 16.112 1.941 1.100 0.446 0.833 0.500 CB 1.447 13 residues pruned to eliminate duplicates Z: 21 29.694 2.094 1.100 0.604 0.900 0.650 CB 1.520 21 residues pruned to eliminate duplicates Z: 22 17.733 1.948 0.737 0.411 0.905 0.524 CB 1.388 22 residues pruned to eliminate duplicates Z: 19 17.586 2.105 0.742 0.398 0.833 0.667 CB 1.511 19 residues pruned to eliminate duplicates Z: 8 4.305 1.446 0.403 0.338 1.000 0.571 N 0.957 Z: 8 10.808 1.821 0.626 0.817 0.714 0.429 CB 1.467 8 residues pruned to eliminate duplicates Z: 47 42.722 2.144 1.260 0.519 0.891 0.413 CB 1.431 47 residues pruned to eliminate duplicates Z: 6 3.828 1.658 -0.045 0.541 0.800 0.400 O 1.297 Z: 25 19.284 2.092 0.650 0.438 0.917 0.625 CB 1.327 31 residues pruned to eliminate duplicates Z: 7 4.037 1.561 0.047 0.704 1.000 0.833 CB 0.838 Z: 61 47.796 2.206 1.136 0.538 0.850 0.533 CB 1.485 61 residues pruned to eliminate duplicates Z: 17 17.130 2.057 1.150 0.368 0.812 0.562 CB 1.373 17 residues pruned to eliminate duplicates Z: 16 39.540 2.418 0.830 0.875 1.000 0.733 CA 1.678 16 residues pruned to eliminate duplicates Z: 15 23.821 1.950 0.684 0.895 1.000 0.786 CB 1.390 15 residues pruned to eliminate duplicates Z: 8 9.626 1.874 1.428 0.180 0.857 0.143 CB 1.372 Z: 9 23.646 1.996 1.410 0.701 0.875 0.625 CA 1.653 9 residues pruned to eliminate duplicates 6 1.373 1.253 0.376 0.508 0.600 0.400 CB 0.589 ? Z: 18 25.858 2.100 0.936 0.549 0.824 0.647 CA 1.785 18 residues pruned to eliminate duplicates Z: 6 2.081 1.382 0.483 0.291 0.600 0.600 N 0.957 Z: 6 8.281 1.648 0.529 0.693 1.000 0.400 CB 1.232 Z: 9 9.107 1.614 0.475 0.844 0.875 0.500 CB 1.150 9 residues pruned to eliminate duplicates Z: 12 29.708 2.140 1.320 0.719 0.909 0.545 CA 1.628 12 residues pruned to eliminate duplicates Z: 8 9.077 1.961 0.504 0.566 0.857 0.714 CB 1.273 8 residues pruned to eliminate duplicates Z: 8 11.021 1.897 0.624 0.596 0.857 0.571 CB 1.440 8 residues pruned to eliminate duplicates Z: 17 12.979 1.774 0.629 0.480 0.875 0.500 CB 1.309 17 residues pruned to eliminate duplicates Z: 16 16.701 1.922 0.690 0.520 0.867 0.533 CB 1.502 16 residues pruned to eliminate duplicates Z: 16 7.653 2.089 0.350 0.340 0.667 0.400 CB 1.251 16 residues pruned to eliminate duplicates Z: 55 57.309 2.146 1.175 0.532 0.963 0.500 CA 1.681 55 residues pruned to eliminate duplicates Z: 12 5.634 1.925 0.313 0.221 0.636 0.364 O 1.464 Z: 46 36.213 2.201 0.930 0.475 0.844 0.489 CB 1.543 46 residues pruned to eliminate duplicates Z: 27 16.207 1.966 0.656 0.328 0.923 0.462 CB 1.277 27 residues pruned to eliminate duplicates Z: 7 4.578 1.644 0.983 0.250 0.667 0.333 CB 1.147 Z: 6 4.564 1.636 0.372 0.477 0.800 0.600 N 1.163 Z: 7 4.750 1.749 0.429 0.485 0.833 0.333 CB 0.945 Z: 11 11.374 1.782 0.683 0.682 0.800 0.200 CB 1.269 11 residues pruned to eliminate duplicates Z: 19 9.044 1.724 0.726 0.368 0.778 0.444 CB 1.061 19 residues pruned to eliminate duplicates Z: 18 14.777 2.102 0.999 0.416 0.824 0.471 CB 1.131 18 residues pruned to eliminate duplicates Z: 19 10.992 1.847 1.037 0.373 0.889 0.444 CB 0.888 19 residues pruned to eliminate duplicates Z: 9 11.174 1.903 0.704 0.497 1.000 0.625 CB 1.221 Z: 20 16.333 2.055 0.946 0.383 0.842 0.526 CB 1.260 20 residues pruned to eliminate duplicates Z: 19 14.457 1.856 0.854 0.402 0.722 0.500 CA 1.520 19 residues pruned to eliminate duplicates Z: 6 14.044 2.032 1.213 0.735 1.000 0.800 CB 1.131 Z: 8 11.413 1.896 0.640 0.567 1.000 0.571 CA 1.300 8 residues pruned to eliminate duplicates Z: 7 2.943 1.663 -0.243 0.597 0.833 0.667 CB 1.043 Z: 10 2.441 1.691 -0.168 0.145 0.667 0.333 CB 1.347 Z: 17 16.439 1.904 0.936 0.396 0.812 0.562 CB 1.531 17 residues pruned to eliminate duplicates Z: 8 2.355 1.795 0.064 0.447 0.571 0.286 CB 0.861 Z: 17 28.604 2.079 1.307 0.586 0.938 0.625 CB 1.464 17 residues pruned to eliminate duplicates Z: 17 8.465 1.717 0.741 0.264 0.812 0.625 CB 1.141 17 residues pruned to eliminate duplicates Z: 6 5.026 1.965 0.397 0.430 0.800 0.400 N 1.100 Z: 40 47.361 2.278 1.258 0.559 0.846 0.564 CB 1.645 40 residues pruned to eliminate duplicates Z: 9 17.834 2.148 0.873 0.622 1.000 0.750 CB 1.397 9 residues pruned to eliminate duplicates Z: 7 13.380 2.153 1.120 0.795 0.833 0.500 CA 1.109 7 residues pruned to eliminate duplicates Z: 9 11.324 1.853 0.928 0.525 0.875 0.500 CB 1.249 Z: 11 7.516 1.585 0.870 0.494 0.800 0.500 CB 1.008 8 residues pruned to eliminate duplicates Z: 13 22.159 2.095 1.075 0.652 1.000 0.750 CB 1.278 13 residues pruned to eliminate duplicates Z: 23 12.076 2.033 0.440 0.267 0.864 0.364 CB 1.328 23 residues pruned to eliminate duplicates Z: 18 29.080 2.025 1.057 0.880 0.882 0.706 CB 1.391 18 residues pruned to eliminate duplicates Z: 43 26.092 2.020 0.774 0.473 0.833 0.643 CB 1.385 124 residues pruned to eliminate duplicates Z: 16 14.713 2.078 0.675 0.332 0.800 0.400 CB 1.639 16 residues pruned to eliminate duplicates Z: 12 11.376 1.840 0.642 0.717 1.000 0.727 CB 0.933 Z: 6 14.665 1.976 1.416 0.650 0.800 0.800 CB 1.494 6 residues pruned to eliminate duplicates Z: 23 17.810 1.973 0.880 0.399 0.818 0.455 CB 1.391 32 residues pruned to eliminate duplicates Z: 14 14.992 2.045 0.855 0.407 0.846 0.308 CB 1.427 14 residues pruned to eliminate duplicates Z: 11 3.235 1.831 0.288 0.366 0.700 0.400 CB 0.715 11 residues pruned to eliminate duplicates Z: 7 2.233 1.368 0.549 0.235 0.667 0.333 N 0.878 Z: 21 13.555 2.163 0.463 0.401 0.900 0.550 CB 1.182 21 residues pruned to eliminate duplicates Z: 13 23.103 2.014 0.626 0.931 1.000 0.917 CA 1.422 13 residues pruned to eliminate duplicates Z: 13 25.223 1.985 1.249 0.814 0.917 0.583 CB 1.354 13 residues pruned to eliminate duplicates Z: 17 7.057 1.803 0.164 0.465 0.875 0.438 CB 0.995 8 residues pruned to eliminate duplicates Z: 6 8.111 1.897 0.627 0.705 0.600 0.400 N 1.625 6 residues pruned to eliminate duplicates Z: 10 3.497 1.522 0.569 0.271 0.778 0.333 CB 0.814 Z: 7 5.114 1.756 0.422 0.397 0.833 0.500 CB 1.119 Z: 7 3.092 1.571 0.215 0.503 0.833 0.333 CB 0.792 Z: 12 6.267 1.711 0.564 0.324 0.818 0.455 CB 1.047 Z: 7 2.324 1.792 -0.244 0.376 0.667 0.500 N 1.200 Z: 8 2.381 1.343 0.638 0.410 0.714 0.429 C 0.630 Z: 104 65.124 2.165 1.034 0.498 0.903 0.650 CB 1.617 24 residues pruned to eliminate duplicates Z: 9 3.455 1.721 0.213 0.184 0.750 0.500 CB 1.140 Z: 7 2.945 1.702 0.800 0.248 0.500 0.500 N 1.049 Z: 35 16.002 1.935 0.800 0.342 0.824 0.412 CB 1.137 35 residues pruned to eliminate duplicates Z: 8 19.342 1.913 0.933 0.799 1.000 0.714 CB 1.522 8 residues pruned to eliminate duplicates Z: 14 33.344 2.046 0.968 0.912 1.000 0.769 CA 1.627 14 residues pruned to eliminate duplicates Z: 8 2.868 1.578 0.566 0.287 0.857 0.429 CB 0.650 Z: 11 13.344 2.064 0.998 0.414 0.800 0.500 CA 1.399 11 residues pruned to eliminate duplicates Z: 7 3.882 1.606 1.262 0.566 0.667 0.667 CB 0.614 Z: 13 17.303 2.045 0.747 0.530 1.000 0.500 CB 1.358 13 residues pruned to eliminate duplicates Z: 8 2.819 1.559 1.101 0.212 0.714 0.429 CB 0.640 8 residues pruned to eliminate duplicates Z: 18 12.719 1.882 0.705 0.398 0.882 0.588 CB 1.213 18 residues pruned to eliminate duplicates Z: 18 6.194 1.771 0.117 0.448 0.824 0.412 CB 0.972 Z: 7 2.996 1.595 -0.153 0.568 0.667 0.333 N 1.271 Z: 6 2.254 1.422 0.234 0.295 0.800 0.600 CA 0.903 Z: 7 6.661 1.901 0.595 0.529 1.000 0.500 CB 0.871 11 residues pruned to eliminate duplicates Z: 26 31.223 2.064 0.999 0.594 0.960 0.520 CB 1.441 26 residues pruned to eliminate duplicates Z: 12 12.284 1.915 0.591 0.412 0.818 0.545 CB 1.630 12 residues pruned to eliminate duplicates Z: 16 13.863 2.020 0.697 0.442 0.733 0.400 CB 1.512 16 residues pruned to eliminate duplicates Z: 30 25.304 2.122 0.837 0.459 0.897 0.621 CB 1.402 28 residues pruned to eliminate duplicates Z: 11 19.107 2.044 0.878 0.895 1.000 0.600 CB 1.128 11 residues pruned to eliminate duplicates Z: 39 43.295 2.165 1.152 0.569 0.895 0.553 CB 1.575 39 residues pruned to eliminate duplicates Z: 30 35.654 2.233 1.111 0.623 0.759 0.621 CA 1.649 30 residues pruned to eliminate duplicates Z: 7 3.507 1.649 0.588 0.470 0.667 0.500 CB 0.845 Z: 63 53.962 2.201 1.045 0.513 0.935 0.613 CB 1.607 63 residues pruned to eliminate duplicates Z: 11 3.286 1.728 0.000 0.326 0.800 0.600 CB 0.910 11 residues pruned to eliminate duplicates Z: 26 20.579 1.974 0.894 0.509 0.720 0.400 CB 1.515 26 residues pruned to eliminate duplicates Z: 6 2.848 1.680 -0.030 0.573 0.600 0.600 CB 1.214 Z: 7 5.695 1.669 0.590 0.817 1.000 0.667 CB 0.665 6 1.651 1.494 0.783 0.412 0.800 0.600 CB 0.380 ? Z: 8 10.493 1.722 1.277 0.466 1.000 0.571 CB 1.047 4 residues pruned to eliminate duplicates Z: 7 3.054 1.730 0.150 0.642 1.000 0.667 CB 0.549 Z: 13 29.693 2.202 1.377 0.834 0.917 0.667 CB 1.339 13 residues pruned to eliminate duplicates Z: 8 3.499 1.457 0.464 0.286 0.857 0.429 N 0.921 Z: 16 24.071 2.018 0.758 0.879 0.933 0.867 CB 1.361 16 residues pruned to eliminate duplicates Z: 8 12.356 1.865 0.926 0.606 0.857 0.857 CB 1.372 8 residues pruned to eliminate duplicates Z: 12 11.161 1.927 0.543 0.523 1.000 0.818 CB 1.106 12 residues pruned to eliminate duplicates Z: 28 32.266 2.192 1.111 0.417 0.889 0.444 CB 1.648 28 residues pruned to eliminate duplicates 6 1.997 1.491 0.203 0.306 0.600 0.400 CB 1.030 ? Z: 11 13.482 1.770 0.804 0.727 1.000 0.900 CB 1.088 11 residues pruned to eliminate duplicates 6 1.317 1.350 -0.186 0.296 0.800 0.600 CB 0.842 ? Z: 11 22.521 2.025 1.110 0.865 0.900 0.700 CB 1.356 11 residues pruned to eliminate duplicates Z: 18 7.137 1.759 0.386 0.405 0.765 0.471 CB 1.025 35 residues pruned to eliminate duplicates Z: 7 12.887 2.077 0.909 0.628 0.833 0.667 CB 1.411 Z: 18 12.257 1.796 0.552 0.457 0.824 0.471 CB 1.353 18 residues pruned to eliminate duplicates Z: 13 17.680 1.905 0.646 0.647 1.000 0.833 N 1.419 13 residues pruned to eliminate duplicates Z: 8 13.605 2.004 0.686 0.631 0.857 0.714 CB 1.571 9 residues pruned to eliminate duplicates Z: 55 57.146 2.296 1.146 0.547 0.944 0.463 CB 1.596 55 residues pruned to eliminate duplicates Z: 13 8.904 2.056 0.483 0.373 0.750 0.417 CB 1.287 13 residues pruned to eliminate duplicates Z: 13 6.156 1.591 0.509 0.206 0.750 0.417 CB 1.399 Z: 21 20.238 1.932 0.661 0.544 0.950 0.650 CB 1.421 20 residues pruned to eliminate duplicates Z: 7 6.987 1.591 0.425 0.772 0.833 0.667 CB 1.187 7 residues pruned to eliminate duplicates Z: 15 14.906 1.825 0.747 0.504 0.929 0.357 CB 1.340 16 residues pruned to eliminate duplicates Z: 8 2.095 1.394 -0.124 0.364 0.714 0.286 CB 1.050 Z: 27 27.743 2.186 1.053 0.588 0.846 0.577 CB 1.317 27 residues pruned to eliminate duplicates Z: 14 25.897 2.132 1.129 0.839 0.923 0.615 CA 1.280 14 residues pruned to eliminate duplicates Z: 8 3.404 1.501 0.501 0.329 0.857 0.571 CB 0.804 Z: 38 19.861 1.810 0.836 0.400 0.811 0.514 CB 1.346 59 residues pruned to eliminate duplicates Z: 20 29.685 2.197 1.222 0.531 0.789 0.526 CA 1.714 20 residues pruned to eliminate duplicates Z: 28 29.316 2.115 0.918 0.620 0.852 0.778 CA 1.458 28 residues pruned to eliminate duplicates 6 1.925 1.428 0.376 0.294 0.600 0.400 CB 0.920 ? Z: 15 10.621 1.668 1.057 0.401 0.786 0.500 CB 1.169 8 residues pruned to eliminate duplicates Z: 6 5.639 1.939 0.149 0.807 1.000 0.800 CB 0.866 8 residues pruned to eliminate duplicates Z: 6 4.030 1.776 0.910 0.467 0.600 0.400 CB 0.915 Z: 22 46.449 2.259 1.305 0.726 1.000 0.714 CB 1.589 22 residues pruned to eliminate duplicates Z: 15 4.542 1.618 0.328 0.313 0.643 0.500 CB 1.082 15 residues pruned to eliminate duplicates 6 1.246 1.372 0.040 0.264 0.600 0.400 CB 0.852 ? Z: 55 45.522 2.121 0.957 0.526 0.907 0.630 CB 1.603 55 residues pruned to eliminate duplicates Z: 17 25.698 2.257 1.045 0.495 0.875 0.625 CA 1.599 17 residues pruned to eliminate duplicates Z: 20 27.881 2.167 0.736 0.686 0.947 0.579 CB 1.512 20 residues pruned to eliminate duplicates Z: 11 30.390 2.326 0.784 0.913 1.000 1.000 CB 1.638 11 residues pruned to eliminate duplicates Z: 10 2.941 1.715 0.270 0.290 0.444 0.333 CA 1.282 Z: 16 19.929 2.048 1.029 0.688 0.933 0.533 CB 1.117 16 residues pruned to eliminate duplicates Z: 15 12.369 2.009 0.931 0.447 0.857 0.500 CB 1.050 15 residues pruned to eliminate duplicates Z: 9 8.507 1.554 0.434 0.711 0.875 0.875 CB 1.273 10 residues pruned to eliminate duplicates 6 1.193 1.731 0.833 0.293 0.600 0.600 CB 0.353 ? 6 1.686 1.551 0.577 0.295 0.400 0.400 CB 0.969 ? Z: 18 16.893 2.015 0.707 0.294 0.941 0.529 CB 1.595 18 residues pruned to eliminate duplicates Z: 25 11.144 1.808 0.704 0.254 0.750 0.458 CB 1.306 25 residues pruned to eliminate duplicates Z: 10 10.687 1.918 1.164 0.286 0.667 0.444 CB 1.638 10 residues pruned to eliminate duplicates Z: 17 27.829 2.151 0.738 0.849 0.938 0.688 CB 1.471 17 residues pruned to eliminate duplicates 778 residues left after pruning, divided into chains as follows: A: 8 B: 6 C: 41 D: 162 E: 40 F: 118 G: 15 H: 15 I: 7 J: 8 K: 24 L: 28 M: 36 N: 7 O: 103 P: 9 Q: 24 R: 127 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 38.52 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.764, Connect. = 0.738 for dens.mod. cycle 1 = 0.300, Contrast = 0.900, Connect. = 0.771 for dens.mod. cycle 2 = 0.300, Contrast = 1.083, Connect. = 0.796 for dens.mod. cycle 3 = 0.300, Contrast = 1.119, Connect. = 0.798 for dens.mod. cycle 4 = 0.300, Contrast = 1.146, Connect. = 0.800 for dens.mod. cycle 5 = 0.300, Contrast = 1.155, Connect. = 0.801 for dens.mod. cycle 6 = 0.300, Contrast = 1.163, Connect. = 0.802 for dens.mod. cycle 7 = 0.300, Contrast = 1.165, Connect. = 0.803 for dens.mod. cycle 8 = 0.300, Contrast = 1.166, Connect. = 0.804 for dens.mod. cycle 9 = 0.300, Contrast = 1.163, Connect. = 0.804 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 5115 peaks > 0.5 sigma used to seed fragment search Space for about 1914 unique residues taking solvent into account 1036 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 17 43.080 2.393 0.869 0.874 0.938 0.625 CA 1.869 B: 17 40.100 2.355 0.929 0.829 0.875 0.688 CA 1.898 16 residues pruned to eliminate duplicates C: 18 35.997 2.313 1.025 0.914 0.882 0.588 CB 1.494 D: 17 43.817 2.378 1.277 0.890 0.938 0.750 CB 1.552 17 residues pruned to eliminate duplicates E: 17 50.773 2.438 1.025 0.872 0.938 0.750 CA 1.999 17 residues pruned to eliminate duplicates F: 46 50.687 2.367 1.113 0.505 0.867 0.511 CB 1.734 G: 17 41.133 2.496 0.691 0.818 1.000 0.812 CA 1.850 17 residues pruned to eliminate duplicates H: 17 34.524 2.286 0.784 0.836 0.875 0.750 CA 1.810 I: 14 31.473 2.213 1.191 0.899 0.923 0.692 CB 1.394 J: 11 42.854 2.453 1.296 0.876 1.000 0.600 CB 1.749 K: 16 47.485 2.576 0.993 0.875 0.933 0.800 CB 1.862 16 residues pruned to eliminate duplicates L: 12 43.802 2.441 1.034 0.934 1.000 0.909 CB 1.854 14 residues pruned to eliminate duplicates M: 18 44.452 2.389 1.046 0.858 0.941 0.647 CA 1.726 18 residues pruned to eliminate duplicates N: 15 54.264 2.556 1.244 0.899 1.000 0.643 CB 1.808 16 residues pruned to eliminate duplicates O: 8 17.010 2.119 0.844 0.778 0.714 0.429 CB 1.803 P: 17 43.477 2.276 1.163 0.903 1.000 0.688 CA 1.574 Q: 17 45.981 2.532 1.069 0.812 0.875 0.750 CA 1.911 17 residues pruned to eliminate duplicates R: 16 35.342 2.286 0.859 0.890 0.933 0.733 CA 1.655 16 residues pruned to eliminate duplicates S: 16 24.807 2.220 0.960 0.588 0.800 0.400 CB 1.690 8 residues pruned to eliminate duplicates T: 13 32.558 2.349 0.744 0.936 1.000 1.000 CA 1.597 15 residues pruned to eliminate duplicates U: 14 38.754 2.208 1.197 0.896 0.923 0.615 CB 1.720 14 residues pruned to eliminate duplicates V: 11 36.118 2.521 1.165 0.680 0.900 0.300 CA 1.970 12 residues pruned to eliminate duplicates W: 12 22.048 2.161 0.329 0.912 1.000 0.909 CA 1.639 X: 11 45.282 2.549 1.127 0.871 1.000 0.900 CA 1.926 11 residues pruned to eliminate duplicates Y: 16 29.840 2.232 0.705 0.872 0.867 0.667 CB 1.702 Z: 16 40.198 2.283 1.007 0.925 1.000 0.667 CB 1.589 17 residues pruned to eliminate duplicates Z: 17 43.073 2.380 1.184 0.904 0.938 0.625 CB 1.575 18 residues pruned to eliminate duplicates Z: 16 32.434 2.334 0.568 0.889 0.933 0.733 CA 1.764 16 residues pruned to eliminate duplicates Z: 12 31.028 2.317 1.078 0.919 1.000 0.818 CB 1.369 12 residues pruned to eliminate duplicates Z: 17 45.978 2.502 1.026 0.825 0.875 0.625 CB 1.957 18 residues pruned to eliminate duplicates Z: 17 37.492 2.393 0.969 0.877 0.938 0.812 CB 1.541 17 residues pruned to eliminate duplicates Z: 11 38.301 2.544 0.694 0.919 1.000 1.000 CA 1.980 11 residues pruned to eliminate duplicates Z: 17 50.923 2.499 1.081 0.887 0.938 0.750 CB 1.884 17 residues pruned to eliminate duplicates Z: 20 20.488 2.178 0.705 0.370 0.947 0.474 CB 1.535 20 residues pruned to eliminate duplicates Z: 13 38.380 2.264 0.983 0.923 1.000 0.917 CA 1.734 13 residues pruned to eliminate duplicates Z: 7 17.756 1.976 1.214 0.759 1.000 0.500 CA 1.316 Z: 20 19.751 2.324 0.694 0.310 0.895 0.474 CB 1.588 Z: 16 45.957 2.389 1.044 0.848 1.000 0.733 CA 1.803 15 residues pruned to eliminate duplicates Z: 13 34.497 2.251 1.020 0.930 1.000 0.833 CB 1.532 13 residues pruned to eliminate duplicates Z: 16 43.274 2.442 1.069 0.859 0.933 0.733 CB 1.744 16 residues pruned to eliminate duplicates Z: 16 31.739 2.189 0.995 0.888 0.933 0.800 CA 1.448 Z: 12 26.134 2.216 0.636 0.860 1.000 0.909 CA 1.598 12 residues pruned to eliminate duplicates Z: 13 35.429 2.239 1.154 0.888 0.917 0.833 CB 1.667 11 residues pruned to eliminate duplicates Z: 12 22.506 1.896 1.047 0.867 0.909 0.636 CB 1.407 Z: 21 17.471 2.236 0.547 0.434 0.900 0.600 CB 1.344 Z: 18 32.297 2.323 0.930 0.546 0.941 0.412 CA 1.775 Z: 17 50.466 2.387 1.026 0.886 1.000 0.750 CA 1.882 16 residues pruned to eliminate duplicates Z: 11 23.009 2.051 0.727 0.867 1.000 0.800 CA 1.503 11 residues pruned to eliminate duplicates Z: 17 31.697 2.212 1.072 0.837 0.812 0.625 CB 1.592 17 residues pruned to eliminate duplicates Z: 13 33.332 2.283 0.886 0.786 1.000 0.833 CA 1.738 13 residues pruned to eliminate duplicates Z: 16 44.097 2.369 1.019 0.865 0.933 0.867 CA 1.869 Z: 18 37.904 2.213 0.915 0.866 1.000 0.706 CA 1.588 17 residues pruned to eliminate duplicates Z: 14 17.766 2.158 0.921 0.401 0.769 0.462 CB 1.714 Z: 17 45.101 2.374 1.211 0.910 0.938 0.688 CB 1.625 16 residues pruned to eliminate duplicates Z: 16 39.592 2.242 1.014 0.911 0.933 0.800 CA 1.720 16 residues pruned to eliminate duplicates Z: 7 13.355 2.129 0.981 0.503 0.667 0.500 O 1.934 Z: 45 38.515 2.298 0.950 0.471 0.795 0.545 CB 1.678 25 residues pruned to eliminate duplicates Z: 13 23.476 2.105 0.642 0.902 0.917 0.833 CB 1.526 13 residues pruned to eliminate duplicates Z: 15 31.543 2.466 0.577 0.871 0.929 0.857 CA 1.702 15 residues pruned to eliminate duplicates Z: 12 36.294 2.188 1.170 0.918 1.000 0.727 CA 1.625 12 residues pruned to eliminate duplicates Z: 16 45.000 2.460 1.183 0.886 0.933 0.733 CB 1.673 16 residues pruned to eliminate duplicates Z: 17 42.104 2.399 0.939 0.895 1.000 0.750 CB 1.623 17 residues pruned to eliminate duplicates Z: 13 41.009 2.340 1.246 0.895 0.917 0.917 CB 1.762 13 residues pruned to eliminate duplicates Z: 9 11.993 2.075 0.702 0.771 0.625 0.375 CA 1.512 Z: 16 30.273 2.199 0.705 0.869 1.000 0.667 CA 1.523 16 residues pruned to eliminate duplicates Z: 25 28.454 2.283 0.974 0.409 0.875 0.500 CB 1.620 25 residues pruned to eliminate duplicates Z: 72 58.974 2.342 1.006 0.520 0.873 0.507 CB 1.673 16 residues pruned to eliminate duplicates Z: 12 44.664 2.419 1.257 0.890 1.000 0.727 CB 1.775 12 residues pruned to eliminate duplicates Z: 14 34.678 2.358 0.821 0.845 1.000 0.769 CB 1.665 14 residues pruned to eliminate duplicates Z: 14 22.759 2.086 0.554 0.811 0.923 0.692 CA 1.609 14 residues pruned to eliminate duplicates Z: 12 35.968 2.441 1.219 0.915 0.818 0.818 CA 1.729 12 residues pruned to eliminate duplicates Z: 16 32.157 2.179 1.017 0.908 0.933 0.800 CA 1.437 16 residues pruned to eliminate duplicates Z: 17 35.806 2.218 1.032 0.887 0.938 0.375 CB 1.529 17 residues pruned to eliminate duplicates Z: 15 39.773 2.383 0.872 0.840 0.929 0.857 CA 1.916 15 residues pruned to eliminate duplicates Z: 15 11.443 2.057 0.624 0.339 0.786 0.500 CB 1.389 15 residues pruned to eliminate duplicates Z: 38 42.383 2.334 0.885 0.458 0.919 0.541 CB 1.798 38 residues pruned to eliminate duplicates Z: 23 46.697 2.402 0.996 0.675 1.000 0.818 CB 1.768 16 residues pruned to eliminate duplicates Z: 9 10.203 1.588 0.888 0.664 0.875 0.500 CA 1.182 Z: 18 43.850 2.278 1.281 0.869 0.941 0.765 CB 1.588 18 residues pruned to eliminate duplicates Z: 46 43.534 2.350 0.972 0.491 0.844 0.356 CB 1.673 17 residues pruned to eliminate duplicates Z: 13 36.534 2.218 1.422 0.929 0.917 0.750 CB 1.500 12 residues pruned to eliminate duplicates Z: 10 8.927 2.147 1.016 0.268 0.556 0.444 CB 1.611 10 residues pruned to eliminate duplicates Z: 11 20.197 2.030 0.777 0.856 0.900 0.700 CB 1.451 12 residues pruned to eliminate duplicates Z: 17 21.616 2.225 1.129 0.451 0.875 0.562 CB 1.370 14 residues pruned to eliminate duplicates Z: 17 37.240 2.323 0.988 0.851 0.812 0.625 CB 1.837 17 residues pruned to eliminate duplicates Z: 6 14.325 2.068 0.954 0.753 1.000 0.600 CA 1.266 Z: 14 43.622 2.211 1.141 0.858 1.000 0.462 CB 1.882 14 residues pruned to eliminate duplicates Z: 12 22.602 2.074 0.949 0.878 1.000 0.727 CA 1.223 12 residues pruned to eliminate duplicates Z: 15 29.298 2.416 0.968 0.588 0.857 0.500 CA 1.765 15 residues pruned to eliminate duplicates Z: 16 33.226 2.281 0.853 0.854 0.800 0.667 CB 1.874 16 residues pruned to eliminate duplicates Z: 11 23.842 2.047 0.925 0.913 0.900 0.800 CB 1.504 11 residues pruned to eliminate duplicates Z: 19 21.793 2.168 0.696 0.566 0.889 0.500 CB 1.475 Z: 26 19.101 2.098 0.636 0.409 0.920 0.480 CB 1.331 Z: 24 16.278 2.038 0.696 0.396 0.783 0.696 CB 1.401 Z: 19 22.744 2.212 0.813 0.581 0.833 0.500 CB 1.484 19 residues pruned to eliminate duplicates Z: 52 35.224 2.154 0.937 0.457 0.804 0.510 CB 1.536 31 residues pruned to eliminate duplicates Z: 12 19.972 2.386 0.897 0.697 0.727 0.455 CB 1.528 12 residues pruned to eliminate duplicates Z: 26 23.511 2.145 0.731 0.413 0.920 0.560 CB 1.507 21 residues pruned to eliminate duplicates Z: 12 21.780 1.953 0.707 0.841 0.909 0.636 N 1.615 11 residues pruned to eliminate duplicates Z: 14 30.419 2.355 0.666 0.838 0.923 0.769 CB 1.740 14 residues pruned to eliminate duplicates Z: 12 48.819 2.333 1.589 0.881 1.000 0.455 CB 1.765 12 residues pruned to eliminate duplicates Z: 45 30.440 2.155 0.881 0.394 0.841 0.500 CB 1.507 36 residues pruned to eliminate duplicates Z: 8 7.255 2.136 0.541 0.530 0.857 0.429 CB 0.943 6 residues pruned to eliminate duplicates Z: 18 42.039 2.371 1.100 0.861 0.882 0.765 CA 1.706 18 residues pruned to eliminate duplicates Z: 13 39.203 2.337 1.333 0.830 1.000 0.833 CB 1.561 13 residues pruned to eliminate duplicates Z: 9 18.532 2.306 0.892 0.757 0.750 0.375 CA 1.594 9 residues pruned to eliminate duplicates Z: 14 20.947 2.051 0.633 0.888 0.846 0.846 CB 1.477 14 residues pruned to eliminate duplicates Z: 13 23.009 2.108 1.020 0.833 0.833 0.833 CB 1.405 13 residues pruned to eliminate duplicates Z: 15 42.691 2.344 1.010 0.864 1.000 0.786 CA 1.775 15 residues pruned to eliminate duplicates Z: 6 10.338 1.797 0.714 0.720 1.000 0.600 CA 1.230 6 residues pruned to eliminate duplicates Z: 18 43.627 2.405 0.915 0.816 1.000 0.765 CA 1.745 18 residues pruned to eliminate duplicates Z: 26 26.355 2.211 0.856 0.410 0.840 0.560 CB 1.681 26 residues pruned to eliminate duplicates Z: 13 39.037 2.240 1.490 0.907 0.917 0.750 CB 1.567 13 residues pruned to eliminate duplicates Z: 14 37.383 2.327 1.150 0.871 0.923 0.769 CA 1.638 Z: 14 35.849 2.203 1.236 0.905 0.923 0.692 CB 1.556 14 residues pruned to eliminate duplicates Z: 12 24.400 2.190 1.000 0.834 0.909 0.636 CB 1.386 12 residues pruned to eliminate duplicates Z: 12 54.234 2.519 1.460 0.932 0.909 0.909 CB 2.027 12 residues pruned to eliminate duplicates Z: 17 14.799 2.341 0.799 0.313 0.750 0.688 CB 1.440 Z: 11 13.511 1.995 1.079 0.564 0.700 0.300 CA 1.384 11 residues pruned to eliminate duplicates Z: 8 10.137 2.004 1.008 0.601 0.714 0.714 N 1.210 Z: 15 34.692 2.337 1.056 0.871 0.857 0.429 CA 1.642 15 residues pruned to eliminate duplicates Z: 12 43.855 2.406 1.506 0.888 0.909 0.727 CB 1.738 12 residues pruned to eliminate duplicates Z: 22 41.475 2.393 0.857 0.718 0.952 0.810 CA 1.755 22 residues pruned to eliminate duplicates Z: 13 32.901 2.294 0.921 0.890 1.000 0.917 CB 1.551 13 residues pruned to eliminate duplicates Z: 13 14.632 1.999 1.477 0.631 0.583 0.417 CA 1.292 13 residues pruned to eliminate duplicates Z: 60 64.240 2.339 1.137 0.508 0.966 0.525 CB 1.718 56 residues pruned to eliminate duplicates Z: 28 36.243 2.294 0.968 0.491 0.963 0.444 CB 1.619 28 residues pruned to eliminate duplicates Z: 57 66.007 2.433 1.027 0.566 0.946 0.500 CB 1.772 38 residues pruned to eliminate duplicates Z: 15 35.371 2.298 1.001 0.877 0.929 0.643 CA 1.608 15 residues pruned to eliminate duplicates Z: 9 20.433 1.970 0.675 0.865 1.000 0.750 CA 1.605 Z: 16 10.617 1.978 0.687 0.392 0.867 0.467 CB 1.063 Z: 29 26.436 2.225 0.867 0.454 0.857 0.536 CB 1.470 Z: 16 48.086 2.406 0.993 0.885 1.000 0.867 CA 1.870 16 residues pruned to eliminate duplicates Z: 17 36.876 2.355 0.919 0.870 0.938 0.688 CB 1.589 17 residues pruned to eliminate duplicates Z: 15 37.394 2.299 0.835 0.878 1.000 0.857 CB 1.719 15 residues pruned to eliminate duplicates Z: 16 29.321 2.051 0.938 0.868 0.933 0.800 CB 1.492 16 residues pruned to eliminate duplicates Z: 18 42.114 2.169 1.126 0.886 1.000 0.824 CB 1.598 18 residues pruned to eliminate duplicates Z: 18 33.556 2.157 1.212 0.856 0.765 0.647 CA 1.645 18 residues pruned to eliminate duplicates Z: 12 22.409 2.018 0.679 0.849 1.000 0.636 CB 1.479 Z: 23 34.232 2.336 1.078 0.489 0.864 0.591 CB 1.761 23 residues pruned to eliminate duplicates Z: 12 37.687 2.396 1.259 0.887 0.909 0.727 CB 1.665 12 residues pruned to eliminate duplicates Z: 26 27.989 2.261 1.092 0.400 0.840 0.400 CB 1.565 26 residues pruned to eliminate duplicates Z: 16 37.078 2.336 0.878 0.820 0.933 0.800 CA 1.772 16 residues pruned to eliminate duplicates Z: 37 27.118 2.210 0.880 0.423 0.806 0.556 CB 1.463 37 residues pruned to eliminate duplicates Z: 12 39.991 2.387 1.215 0.919 0.909 0.818 CB 1.768 12 residues pruned to eliminate duplicates Z: 23 21.208 2.221 0.890 0.426 0.818 0.545 CB 1.421 23 residues pruned to eliminate duplicates Z: 32 29.010 2.152 1.041 0.419 0.871 0.516 CB 1.482 27 residues pruned to eliminate duplicates Z: 15 14.554 2.024 0.538 0.324 1.000 0.571 CB 1.516 12 residues pruned to eliminate duplicates Z: 9 13.032 2.050 1.023 0.379 0.875 0.625 CB 1.444 Z: 92 85.030 2.416 1.145 0.551 0.934 0.648 CB 1.752 105 residues pruned to eliminate duplicates Z: 101 65.286 2.309 1.019 0.501 0.870 0.590 CB 1.608 72 residues pruned to eliminate duplicates Z: 15 29.917 2.202 1.075 0.903 0.857 0.571 CB 1.455 15 residues pruned to eliminate duplicates Z: 16 36.532 2.317 0.641 0.866 1.000 0.867 CA 1.816 16 residues pruned to eliminate duplicates Z: 13 18.824 1.893 0.450 0.902 1.000 0.917 CA 1.411 12 residues pruned to eliminate duplicates Z: 29 22.926 2.218 0.802 0.413 0.857 0.500 CB 1.386 29 residues pruned to eliminate duplicates Z: 15 34.609 2.205 1.102 0.893 0.929 0.500 CA 1.542 15 residues pruned to eliminate duplicates Z: 10 24.677 2.442 0.940 0.793 0.778 0.667 CA 1.726 10 residues pruned to eliminate duplicates Z: 54 51.267 2.356 1.048 0.506 0.906 0.547 CB 1.602 54 residues pruned to eliminate duplicates Z: 23 13.731 2.017 0.725 0.363 0.818 0.455 CB 1.191 9 residues pruned to eliminate duplicates Z: 17 40.112 2.171 1.146 0.914 0.938 0.625 CB 1.623 17 residues pruned to eliminate duplicates Z: 13 36.084 2.325 0.746 0.927 1.000 1.000 CA 1.798 13 residues pruned to eliminate duplicates Z: 9 19.682 2.235 1.291 0.748 0.625 0.625 CA 1.742 9 residues pruned to eliminate duplicates Z: 9 16.582 1.861 1.043 0.695 0.875 0.500 CB 1.475 9 residues pruned to eliminate duplicates Z: 13 32.572 2.104 1.186 0.894 1.000 0.833 CB 1.466 13 residues pruned to eliminate duplicates Z: 9 9.750 2.057 0.930 0.358 0.875 0.500 CB 1.156 Z: 6 9.556 1.692 0.641 0.821 1.000 0.800 CA 1.166 6 residues pruned to eliminate duplicates Z: 13 15.895 2.173 0.748 0.454 0.833 0.667 CB 1.519 Z: 13 42.403 2.355 1.204 0.906 0.917 0.833 CB 1.830 13 residues pruned to eliminate duplicates Z: 12 21.500 1.998 0.585 0.902 1.000 1.000 CB 1.461 12 residues pruned to eliminate duplicates Z: 40 39.807 2.246 1.007 0.474 0.923 0.538 CB 1.574 30 residues pruned to eliminate duplicates Z: 91 77.965 2.313 1.076 0.533 0.922 0.567 CB 1.796 91 residues pruned to eliminate duplicates Z: 16 32.341 2.310 0.585 0.863 1.000 0.867 CB 1.672 16 residues pruned to eliminate duplicates Z: 10 21.477 2.189 0.833 0.553 1.000 0.444 CB 1.695 Z: 55 52.800 2.423 1.065 0.500 0.815 0.593 CB 1.763 55 residues pruned to eliminate duplicates Z: 17 17.788 2.173 0.758 0.344 0.875 0.438 CB 1.576 6 residues pruned to eliminate duplicates Z: 15 32.661 2.247 1.025 0.864 0.929 0.643 CB 1.514 15 residues pruned to eliminate duplicates Z: 14 34.112 2.458 0.923 0.908 0.846 0.538 CA 1.680 14 residues pruned to eliminate duplicates Z: 13 29.707 2.427 0.705 0.899 0.917 0.833 CA 1.615 13 residues pruned to eliminate duplicates Z: 35 18.823 2.051 0.756 0.321 0.765 0.412 CB 1.428 35 residues pruned to eliminate duplicates Z: 13 23.298 2.099 0.669 0.851 1.000 0.750 CB 1.421 13 residues pruned to eliminate duplicates Z: 11 22.016 2.202 1.256 0.679 0.800 0.400 CA 1.486 11 residues pruned to eliminate duplicates Z: 10 15.847 2.124 1.147 0.580 0.667 0.556 CA 1.608 10 residues pruned to eliminate duplicates Z: 14 31.606 2.230 0.961 0.837 0.923 0.769 CA 1.624 14 residues pruned to eliminate duplicates Z: 12 44.286 2.492 1.227 0.904 0.909 0.727 CA 1.886 12 residues pruned to eliminate duplicates Z: 10 14.018 1.947 0.958 0.505 0.889 0.778 CB 1.372 10 residues pruned to eliminate duplicates Z: 32 33.609 2.330 0.734 0.495 0.903 0.613 CB 1.663 34 residues pruned to eliminate duplicates Z: 12 34.115 2.228 1.325 0.866 0.909 0.727 CA 1.599 12 residues pruned to eliminate duplicates Z: 12 41.648 2.381 1.253 0.902 1.000 0.909 CA 1.670 12 residues pruned to eliminate duplicates Z: 30 33.544 2.302 0.864 0.573 0.931 0.586 CB 1.453 37 residues pruned to eliminate duplicates Z: 12 27.173 1.892 1.192 0.863 1.000 0.909 CA 1.449 13 residues pruned to eliminate duplicates Z: 11 41.325 2.522 0.890 0.923 1.000 1.000 CB 1.927 11 residues pruned to eliminate duplicates Z: 10 29.640 2.476 1.213 0.895 1.000 0.556 CB 1.292 10 residues pruned to eliminate duplicates Z: 10 5.811 2.166 0.652 0.259 0.667 0.333 CB 1.071 10 residues pruned to eliminate duplicates Z: 17 45.317 2.497 0.996 0.853 0.875 0.750 CA 1.920 17 residues pruned to eliminate duplicates Z: 6 7.347 1.628 0.685 0.717 1.000 0.400 CA 0.985 Z: 12 28.039 2.200 0.692 0.907 1.000 0.909 CA 1.615 12 residues pruned to eliminate duplicates Z: 30 25.976 2.250 1.053 0.334 0.759 0.345 CB 1.650 30 residues pruned to eliminate duplicates Z: 11 16.965 2.288 0.770 0.534 0.900 0.900 CB 1.424 12 residues pruned to eliminate duplicates Z: 8 11.865 1.855 0.688 0.765 1.000 0.714 CA 1.132 8 residues pruned to eliminate duplicates Z: 16 20.963 2.275 0.814 0.544 0.800 0.600 CB 1.570 16 residues pruned to eliminate duplicates Z: 16 35.599 2.375 0.777 0.810 0.867 0.600 CA 1.917 16 residues pruned to eliminate duplicates Z: 13 27.700 2.110 0.708 0.918 1.000 0.917 CA 1.565 13 residues pruned to eliminate duplicates Z: 23 32.838 2.284 1.227 0.438 0.864 0.545 CB 1.699 23 residues pruned to eliminate duplicates Z: 22 16.614 2.212 0.770 0.376 0.762 0.381 CB 1.388 22 residues pruned to eliminate duplicates Z: 11 8.805 1.805 0.928 0.226 0.900 0.500 CA 1.224 9 residues pruned to eliminate duplicates Z: 17 19.715 2.278 0.691 0.591 0.750 0.438 CB 1.563 17 residues pruned to eliminate duplicates Z: 14 34.112 2.168 1.216 0.793 1.000 0.769 CA 1.523 14 residues pruned to eliminate duplicates Z: 15 46.862 2.416 1.076 0.868 1.000 0.857 CA 1.825 15 residues pruned to eliminate duplicates Z: 18 40.198 2.176 1.025 0.871 0.941 0.706 CB 1.715 18 residues pruned to eliminate duplicates Z: 14 33.420 2.145 1.002 0.914 0.923 0.846 CA 1.653 14 residues pruned to eliminate duplicates Z: 66 62.713 2.409 1.078 0.502 0.892 0.569 CB 1.737 66 residues pruned to eliminate duplicates Z: 36 31.791 2.191 0.997 0.436 0.886 0.657 CB 1.482 34 residues pruned to eliminate duplicates Z: 12 26.474 2.325 0.736 0.905 1.000 0.727 CB 1.408 12 residues pruned to eliminate duplicates Z: 13 33.078 2.389 1.023 0.846 0.917 0.750 CA 1.602 13 residues pruned to eliminate duplicates Z: 13 37.980 2.383 1.106 0.901 1.000 0.833 CB 1.558 13 residues pruned to eliminate duplicates Z: 12 24.438 2.086 0.852 0.840 0.909 0.818 CB 1.565 13 residues pruned to eliminate duplicates Z: 12 14.296 1.922 0.890 0.782 0.818 0.545 CA 1.131 12 residues pruned to eliminate duplicates Z: 23 45.568 2.369 1.083 0.704 0.909 0.682 CB 1.799 23 residues pruned to eliminate duplicates Z: 24 35.783 2.322 1.255 0.548 0.783 0.565 CA 1.738 24 residues pruned to eliminate duplicates Z: 14 41.422 2.333 1.148 0.912 1.000 0.615 CA 1.623 14 residues pruned to eliminate duplicates Z: 6 2.388 2.046 -0.283 0.661 1.000 0.600 CB 0.628 Z: 37 49.718 2.370 1.104 0.570 0.917 0.667 CB 1.695 37 residues pruned to eliminate duplicates Z: 16 36.048 2.228 1.079 0.798 0.867 0.667 CA 1.787 16 residues pruned to eliminate duplicates Z: 9 11.741 2.063 0.489 0.453 1.000 0.750 CB 1.418 9 residues pruned to eliminate duplicates Z: 15 37.626 2.347 0.782 0.876 1.000 0.929 CA 1.747 15 residues pruned to eliminate duplicates Z: 7 12.467 1.944 1.333 0.514 0.833 0.667 CA 1.329 7 residues pruned to eliminate duplicates Z: 6 3.942 1.810 0.992 0.485 0.600 0.600 CB 0.827 Z: 24 19.689 2.139 0.720 0.425 0.913 0.435 CB 1.321 24 residues pruned to eliminate duplicates Z: 104 78.237 2.371 1.120 0.523 0.854 0.602 CB 1.754 104 residues pruned to eliminate duplicates Z: 28 38.907 2.340 1.142 0.585 0.926 0.481 CB 1.487 30 residues pruned to eliminate duplicates Z: 13 30.907 2.324 0.489 0.929 1.000 1.000 CA 1.804 13 residues pruned to eliminate duplicates Z: 13 29.051 2.111 1.108 0.880 0.917 0.667 CB 1.490 13 residues pruned to eliminate duplicates Z: 17 37.533 2.221 0.721 0.898 1.000 0.875 CB 1.755 17 residues pruned to eliminate duplicates Z: 11 21.353 2.159 0.579 0.842 1.000 0.800 CB 1.476 11 residues pruned to eliminate duplicates Z: 7 9.337 1.928 0.717 0.654 0.833 0.667 CB 1.198 Z: 18 32.344 2.198 1.145 0.857 0.882 0.647 CB 1.389 18 residues pruned to eliminate duplicates Z: 10 10.188 2.228 0.570 0.315 0.778 0.778 CA 1.532 10 residues pruned to eliminate duplicates Z: 13 30.229 2.143 0.858 0.902 1.000 0.833 CB 1.563 13 residues pruned to eliminate duplicates Z: 14 33.378 2.321 0.890 0.892 1.000 0.692 CA 1.517 14 residues pruned to eliminate duplicates Z: 28 20.748 2.110 0.667 0.443 0.889 0.444 CB 1.353 28 residues pruned to eliminate duplicates Z: 17 12.513 2.224 0.601 0.327 0.750 0.500 CB 1.417 17 residues pruned to eliminate duplicates Z: 15 37.181 2.362 0.852 0.885 1.000 0.643 CA 1.640 15 residues pruned to eliminate duplicates Z: 51 62.169 2.450 1.121 0.506 0.940 0.460 CB 1.789 51 residues pruned to eliminate duplicates Z: 8 11.328 2.255 0.369 0.625 0.857 0.714 CB 1.438 8 residues pruned to eliminate duplicates Z: 16 46.348 2.401 1.073 0.883 0.933 0.733 CA 1.863 16 residues pruned to eliminate duplicates Z: 9 17.892 2.106 0.879 0.623 0.750 0.375 N 1.898 9 residues pruned to eliminate duplicates Z: 13 32.720 2.107 0.969 0.910 1.000 0.667 CB 1.615 12 residues pruned to eliminate duplicates Z: 16 16.095 2.202 0.587 0.292 0.933 0.600 CB 1.609 17 residues pruned to eliminate duplicates Z: 16 37.996 2.280 1.047 0.912 0.933 0.400 CA 1.595 16 residues pruned to eliminate duplicates Z: 18 17.635 2.066 0.528 0.417 0.882 0.471 O 1.674 18 residues pruned to eliminate duplicates Z: 28 26.714 2.083 1.007 0.420 0.926 0.519 CB 1.443 28 residues pruned to eliminate duplicates Z: 39 45.686 2.385 0.939 0.528 0.895 0.684 CB 1.742 39 residues pruned to eliminate duplicates Z: 17 42.744 2.258 1.135 0.875 0.938 0.438 CB 1.720 17 residues pruned to eliminate duplicates Z: 23 26.754 2.205 0.737 0.539 0.909 0.682 CB 1.577 23 residues pruned to eliminate duplicates Z: 13 28.676 2.204 0.885 0.922 1.000 0.833 CA 1.402 13 residues pruned to eliminate duplicates Z: 10 16.215 1.810 1.051 0.787 0.778 0.667 CB 1.455 Z: 6 15.547 2.076 1.057 0.589 1.000 0.600 O 1.496 Z: 12 11.400 2.102 0.940 0.438 0.909 0.636 CB 0.988 12 residues pruned to eliminate duplicates Z: 9 4.944 1.974 0.999 0.369 0.500 0.375 CB 1.019 9 residues pruned to eliminate duplicates Z: 86 61.863 2.322 1.026 0.492 0.882 0.541 CB 1.630 86 residues pruned to eliminate duplicates Z: 11 25.311 2.070 1.075 0.847 1.000 0.700 CA 1.383 11 residues pruned to eliminate duplicates Z: 12 32.525 2.395 0.907 0.840 1.000 0.818 CA 1.602 12 residues pruned to eliminate duplicates Z: 6 4.121 1.780 0.280 0.297 0.800 0.600 CB 1.269 6 residues pruned to eliminate duplicates Z: 95 71.524 2.299 1.182 0.514 0.904 0.521 CB 1.603 95 residues pruned to eliminate duplicates Z: 25 16.207 2.121 0.570 0.353 0.875 0.417 CB 1.331 25 residues pruned to eliminate duplicates Z: 16 44.208 2.360 1.084 0.880 0.933 0.600 CB 1.803 16 residues pruned to eliminate duplicates Z: 28 19.227 2.021 0.711 0.383 0.852 0.519 CA 1.422 28 residues pruned to eliminate duplicates Z: 39 28.927 2.202 0.698 0.389 0.895 0.526 CB 1.576 39 residues pruned to eliminate duplicates Z: 6 7.309 1.599 0.720 0.793 1.000 0.600 CA 0.919 6 residues pruned to eliminate duplicates Z: 12 31.387 2.173 0.883 0.907 1.000 0.818 CA 1.644 12 residues pruned to eliminate duplicates Z: 33 31.916 2.233 0.912 0.521 0.844 0.469 CB 1.534 33 residues pruned to eliminate duplicates Z: 16 41.466 2.279 0.958 0.883 1.000 0.800 CB 1.735 16 residues pruned to eliminate duplicates Z: 11 16.879 1.771 0.790 0.826 0.800 0.400 CB 1.588 11 residues pruned to eliminate duplicates Z: 11 28.624 2.447 0.447 0.902 1.000 1.000 CA 1.824 11 residues pruned to eliminate duplicates Z: 14 30.794 2.299 0.804 0.909 1.000 0.615 CA 1.462 14 residues pruned to eliminate duplicates Z: 25 32.274 2.261 1.036 0.486 0.917 0.500 CB 1.583 25 residues pruned to eliminate duplicates Z: 7 17.100 2.450 1.012 0.723 0.667 0.500 CB 1.737 7 residues pruned to eliminate duplicates Z: 53 54.914 2.321 1.102 0.540 0.923 0.596 CB 1.625 53 residues pruned to eliminate duplicates Z: 14 28.656 2.297 0.710 0.853 0.846 0.769 CA 1.766 14 residues pruned to eliminate duplicates Z: 6 7.959 1.867 0.881 0.707 1.000 0.400 CA 0.840 6 residues pruned to eliminate duplicates Z: 32 31.875 2.219 1.010 0.454 0.839 0.548 CB 1.605 43 residues pruned to eliminate duplicates Z: 84 62.880 2.304 1.022 0.510 0.892 0.566 CB 1.645 84 residues pruned to eliminate duplicates Z: 12 28.999 2.148 1.158 0.898 1.000 0.636 CA 1.349 12 residues pruned to eliminate duplicates Z: 31 36.496 2.416 1.067 0.481 0.867 0.533 CB 1.569 33 residues pruned to eliminate duplicates Z: 14 36.496 2.323 0.882 0.862 1.000 1.000 CB 1.699 14 residues pruned to eliminate duplicates Z: 11 26.995 2.156 0.858 0.863 1.000 0.900 CB 1.564 12 residues pruned to eliminate duplicates Z: 15 33.400 2.270 1.024 0.838 0.929 0.500 CB 1.564 15 residues pruned to eliminate duplicates Z: 10 6.186 1.880 0.376 0.211 0.778 0.444 CB 1.442 10 residues pruned to eliminate duplicates Z: 18 37.912 2.201 1.042 0.841 0.941 0.588 CA 1.621 18 residues pruned to eliminate duplicates Z: 25 29.577 2.244 0.935 0.472 0.875 0.583 CB 1.634 25 residues pruned to eliminate duplicates Z: 69 51.029 2.270 0.932 0.463 0.853 0.559 CB 1.718 69 residues pruned to eliminate duplicates Z: 13 36.211 2.206 1.124 0.913 1.000 0.917 CB 1.579 11 residues pruned to eliminate duplicates Z: 28 23.465 2.169 0.653 0.413 0.926 0.444 CB 1.490 26 residues pruned to eliminate duplicates Z: 7 25.396 2.296 0.975 0.849 1.000 0.667 CA 1.696 7 residues pruned to eliminate duplicates Z: 16 26.811 2.349 0.947 0.546 0.800 0.400 CA 1.808 16 residues pruned to eliminate duplicates Z: 9 21.702 2.080 0.850 0.907 0.875 0.500 N 1.619 9 residues pruned to eliminate duplicates Z: 58 48.438 2.320 0.955 0.553 0.842 0.526 CB 1.595 58 residues pruned to eliminate duplicates Z: 15 36.962 2.258 1.124 0.867 1.000 0.643 CA 1.506 15 residues pruned to eliminate duplicates Z: 11 25.218 2.181 0.770 0.882 0.900 0.900 CA 1.661 11 residues pruned to eliminate duplicates Z: 26 41.665 2.275 1.055 0.600 1.000 0.480 CB 1.620 32 residues pruned to eliminate duplicates Z: 17 35.858 2.378 0.920 0.852 0.938 0.625 CB 1.549 17 residues pruned to eliminate duplicates Z: 13 24.610 1.901 0.998 0.908 1.000 0.750 CB 1.328 13 residues pruned to eliminate duplicates Z: 16 18.941 2.312 0.455 0.432 0.933 0.667 CA 1.671 15 residues pruned to eliminate duplicates Z: 6 13.585 2.076 0.541 0.860 1.000 0.600 CA 1.397 6 residues pruned to eliminate duplicates Z: 8 3.853 1.865 -0.151 0.362 1.000 0.571 CB 1.067 Z: 70 51.249 2.351 0.899 0.459 0.841 0.551 CB 1.715 70 residues pruned to eliminate duplicates Z: 18 10.822 2.087 0.251 0.415 0.765 0.588 CB 1.437 18 residues pruned to eliminate duplicates Z: 25 33.882 2.294 1.185 0.474 0.917 0.625 CB 1.546 25 residues pruned to eliminate duplicates Z: 10 18.873 1.928 0.908 0.821 0.889 0.333 CA 1.455 10 residues pruned to eliminate duplicates Z: 25 28.797 2.269 1.258 0.414 0.833 0.458 CB 1.506 25 residues pruned to eliminate duplicates Z: 12 30.345 2.020 1.221 0.869 1.000 0.818 CB 1.490 11 residues pruned to eliminate duplicates Z: 11 13.239 2.097 0.583 0.684 0.700 0.300 CA 1.522 11 residues pruned to eliminate duplicates Z: 15 31.102 2.242 1.143 0.891 0.929 0.714 CB 1.339 15 residues pruned to eliminate duplicates Z: 27 39.402 2.430 0.990 0.536 0.885 0.500 CB 1.744 27 residues pruned to eliminate duplicates Z: 17 12.687 1.992 0.303 0.402 0.875 0.438 CA 1.549 13 residues pruned to eliminate duplicates Z: 14 38.539 2.392 0.892 0.856 1.000 0.769 CB 1.742 14 residues pruned to eliminate duplicates Z: 7 10.161 1.811 0.762 0.719 0.833 0.833 O 1.279 6 residues pruned to eliminate duplicates Z: 8 4.519 1.781 1.238 0.297 0.571 0.429 CA 0.941 6 residues pruned to eliminate duplicates Z: 16 13.369 2.288 0.598 0.385 0.800 0.533 CB 1.333 16 residues pruned to eliminate duplicates Z: 6 3.624 1.738 1.317 0.480 0.600 0.600 CB 0.684 Z: 15 31.955 2.242 1.000 0.906 0.929 0.571 CB 1.459 15 residues pruned to eliminate duplicates Z: 10 10.361 1.710 0.623 0.703 0.889 0.444 O 1.164 10 residues pruned to eliminate duplicates Z: 41 33.572 2.174 0.914 0.527 0.925 0.650 CB 1.342 41 residues pruned to eliminate duplicates Z: 36 35.127 2.142 0.989 0.503 0.857 0.514 CB 1.622 36 residues pruned to eliminate duplicates Z: 17 21.273 2.242 0.876 0.339 0.938 0.688 CB 1.607 17 residues pruned to eliminate duplicates Z: 19 22.748 2.155 1.014 0.661 0.889 0.389 CB 1.197 19 residues pruned to eliminate duplicates Z: 72 56.580 2.309 1.069 0.493 0.887 0.366 CB 1.595 72 residues pruned to eliminate duplicates Z: 18 19.644 2.101 0.861 0.541 0.824 0.412 CB 1.421 17 residues pruned to eliminate duplicates Z: 13 32.119 2.062 0.991 0.918 1.000 0.833 CB 1.593 13 residues pruned to eliminate duplicates Z: 13 31.772 2.079 0.934 0.914 1.000 0.917 CA 1.613 13 residues pruned to eliminate duplicates Z: 85 73.750 2.410 1.118 0.531 0.917 0.476 CB 1.668 82 residues pruned to eliminate duplicates Z: 35 39.635 2.345 0.934 0.581 0.882 0.647 CB 1.571 35 residues pruned to eliminate duplicates Z: 33 27.657 2.133 0.967 0.469 0.844 0.500 CB 1.425 33 residues pruned to eliminate duplicates Z: 17 58.509 2.496 1.161 0.867 1.000 0.625 CA 1.984 17 residues pruned to eliminate duplicates Z: 11 23.792 2.174 0.867 0.881 1.000 1.000 CA 1.342 11 residues pruned to eliminate duplicates Z: 11 33.093 2.198 1.457 0.937 1.000 0.800 CA 1.348 16 residues pruned to eliminate duplicates Z: 17 42.205 2.358 1.164 0.824 0.938 0.625 CB 1.666 17 residues pruned to eliminate duplicates Z: 10 14.690 2.103 0.886 0.455 0.889 0.667 CB 1.453 Z: 23 23.791 2.243 1.135 0.381 0.773 0.364 CB 1.556 23 residues pruned to eliminate duplicates Z: 11 27.536 2.254 0.941 0.915 1.000 1.000 CA 1.406 11 residues pruned to eliminate duplicates Z: 14 59.206 2.604 1.398 0.944 1.000 0.769 CB 1.822 14 residues pruned to eliminate duplicates Z: 40 33.583 2.201 0.908 0.517 0.872 0.538 CB 1.445 40 residues pruned to eliminate duplicates Z: 22 40.250 2.369 0.766 0.725 1.000 0.857 CB 1.714 22 residues pruned to eliminate duplicates Z: 12 25.024 2.147 0.920 0.924 1.000 0.818 CA 1.286 12 residues pruned to eliminate duplicates Z: 41 41.324 2.319 0.911 0.495 0.875 0.525 CB 1.693 41 residues pruned to eliminate duplicates Z: 16 17.781 2.130 0.651 0.490 0.867 0.733 CB 1.521 16 residues pruned to eliminate duplicates Z: 20 12.006 2.083 0.467 0.383 0.842 0.474 CB 1.211 20 residues pruned to eliminate duplicates Z: 10 12.761 2.046 0.836 0.641 0.667 0.333 CB 1.490 10 residues pruned to eliminate duplicates Z: 16 33.769 2.248 0.623 0.856 1.000 0.733 CB 1.762 16 residues pruned to eliminate duplicates Z: 9 10.293 1.732 0.322 0.868 0.875 0.750 O 1.328 9 residues pruned to eliminate duplicates Z: 8 20.189 2.091 0.834 0.868 0.857 0.429 CA 1.697 11 residues pruned to eliminate duplicates Z: 21 32.314 2.266 1.017 0.523 0.950 0.700 CB 1.626 21 residues pruned to eliminate duplicates Z: 15 11.945 1.932 0.800 0.277 0.857 0.429 CB 1.378 15 residues pruned to eliminate duplicates Z: 15 22.713 2.326 0.753 0.437 0.929 0.643 CB 1.711 15 residues pruned to eliminate duplicates Z: 8 14.012 2.225 0.424 0.614 1.000 0.571 CB 1.500 8 residues pruned to eliminate duplicates Z: 11 24.185 2.137 0.884 0.856 1.000 0.600 CB 1.402 11 residues pruned to eliminate duplicates Z: 11 22.284 2.090 1.034 0.838 1.000 0.800 CA 1.239 11 residues pruned to eliminate duplicates Z: 11 25.414 2.382 0.922 0.723 0.800 0.500 CB 1.794 11 residues pruned to eliminate duplicates Z: 11 29.839 2.009 1.121 0.908 1.000 0.700 CB 1.573 12 residues pruned to eliminate duplicates Z: 46 50.344 2.331 1.143 0.484 0.911 0.511 CB 1.675 46 residues pruned to eliminate duplicates Z: 38 39.564 2.300 1.010 0.424 0.919 0.541 CB 1.658 38 residues pruned to eliminate duplicates Z: 24 39.413 2.328 0.831 0.681 0.913 0.696 CB 1.787 24 residues pruned to eliminate duplicates Z: 39 42.923 2.312 0.929 0.613 0.842 0.632 CB 1.666 39 residues pruned to eliminate duplicates Z: 53 51.644 2.337 1.125 0.483 0.846 0.615 CB 1.733 53 residues pruned to eliminate duplicates Z: 6 11.673 2.119 0.314 0.810 1.000 1.000 CA 1.432 6 residues pruned to eliminate duplicates Z: 59 51.670 2.397 0.946 0.474 0.845 0.586 CB 1.769 59 residues pruned to eliminate duplicates Z: 104 56.897 2.189 0.931 0.499 0.893 0.505 CB 1.485 103 residues pruned to eliminate duplicates Z: 7 8.464 1.990 0.607 0.757 0.667 0.333 CA 1.290 7 residues pruned to eliminate duplicates Z: 83 56.845 2.310 0.888 0.505 0.854 0.561 CB 1.677 83 residues pruned to eliminate duplicates Z: 22 17.886 2.193 0.807 0.389 0.762 0.524 CB 1.454 22 residues pruned to eliminate duplicates Z: 26 20.720 2.073 0.647 0.443 0.880 0.440 CB 1.462 14 residues pruned to eliminate duplicates Z: 7 8.475 1.729 0.988 0.678 1.000 0.833 CB 0.854 7 residues pruned to eliminate duplicates Z: 50 54.080 2.435 0.995 0.528 0.898 0.571 CB 1.723 50 residues pruned to eliminate duplicates Z: 6 9.030 1.851 1.193 0.459 0.800 0.600 CB 1.296 Z: 15 42.436 2.295 1.112 0.922 1.000 0.500 CA 1.645 15 residues pruned to eliminate duplicates Z: 33 30.517 2.032 0.971 0.515 0.875 0.594 CB 1.516 28 residues pruned to eliminate duplicates Z: 9 3.667 1.656 0.495 0.184 0.625 0.375 O 1.225 Z: 10 14.854 2.072 0.966 0.689 1.000 0.667 CB 1.022 Z: 7 6.474 1.808 0.154 0.504 0.833 0.500 CB 1.513 Z: 13 15.685 2.116 0.758 0.357 0.917 0.667 CB 1.550 13 residues pruned to eliminate duplicates Z: 12 6.775 1.815 0.851 0.256 0.636 0.273 CB 1.265 12 residues pruned to eliminate duplicates Z: 6 6.350 1.973 -0.085 0.670 1.000 1.000 C 1.344 Z: 11 11.133 2.065 0.734 0.463 0.900 0.600 CB 1.134 11 residues pruned to eliminate duplicates Z: 36 50.374 2.360 1.091 0.504 0.943 0.571 CB 1.823 40 residues pruned to eliminate duplicates Z: 8 3.884 1.889 0.696 0.345 0.571 0.429 N 0.949 8 residues pruned to eliminate duplicates Z: 12 8.655 2.165 0.557 0.324 0.818 0.636 CB 1.148 12 residues pruned to eliminate duplicates Z: 15 36.739 2.410 0.902 0.910 0.929 0.786 CA 1.637 15 residues pruned to eliminate duplicates Z: 24 30.483 2.199 1.000 0.474 0.913 0.609 CA 1.626 24 residues pruned to eliminate duplicates Z: 35 51.228 2.450 1.333 0.585 0.912 0.441 CB 1.554 33 residues pruned to eliminate duplicates Z: 38 54.162 2.544 0.976 0.532 0.919 0.541 CB 1.867 38 residues pruned to eliminate duplicates Z: 23 33.242 2.336 0.932 0.470 0.955 0.591 CA 1.697 23 residues pruned to eliminate duplicates Z: 10 13.032 1.870 0.972 0.472 0.889 0.667 CB 1.363 Z: 8 4.205 1.736 0.521 0.335 0.571 0.571 CB 1.262 8 residues pruned to eliminate duplicates Z: 31 30.726 2.290 0.994 0.511 0.867 0.533 CB 1.402 31 residues pruned to eliminate duplicates Z: 12 11.165 1.995 0.688 0.425 1.000 0.727 CB 1.080 12 residues pruned to eliminate duplicates Z: 13 27.921 2.054 1.077 0.901 1.000 0.833 CA 1.348 12 residues pruned to eliminate duplicates Z: 29 38.581 2.299 1.114 0.531 0.821 0.464 CA 1.770 29 residues pruned to eliminate duplicates Z: 68 55.936 2.388 1.057 0.446 0.881 0.478 CB 1.669 68 residues pruned to eliminate duplicates Z: 27 32.234 2.266 1.271 0.449 0.808 0.423 CA 1.602 27 residues pruned to eliminate duplicates Z: 15 37.909 2.282 1.015 0.891 1.000 0.786 CA 1.585 15 residues pruned to eliminate duplicates Z: 7 4.740 2.223 -0.133 0.534 0.667 0.500 CA 1.457 7 residues pruned to eliminate duplicates Z: 14 6.396 1.653 0.812 0.302 0.615 0.462 N 1.199 14 residues pruned to eliminate duplicates Z: 44 46.489 2.379 1.084 0.557 0.907 0.535 CB 1.491 45 residues pruned to eliminate duplicates Z: 17 18.593 2.035 0.856 0.478 0.812 0.562 CB 1.550 17 residues pruned to eliminate duplicates Z: 12 30.636 2.393 0.659 0.908 1.000 0.909 CA 1.652 13 residues pruned to eliminate duplicates Z: 23 34.259 2.191 0.974 0.664 0.955 0.636 CA 1.520 23 residues pruned to eliminate duplicates Z: 14 25.818 2.038 0.858 0.901 0.923 0.923 CB 1.462 14 residues pruned to eliminate duplicates Z: 9 11.617 1.895 0.927 0.685 0.750 0.500 CA 1.265 Z: 19 26.861 2.120 0.991 0.559 0.944 0.333 CB 1.500 19 residues pruned to eliminate duplicates Z: 11 26.619 2.149 1.340 0.871 0.900 0.600 CB 1.357 11 residues pruned to eliminate duplicates Z: 10 21.310 2.209 0.683 0.930 1.000 0.889 CA 1.336 10 residues pruned to eliminate duplicates Z: 9 9.345 1.692 0.858 0.417 0.875 0.750 N 1.310 Z: 13 46.232 2.312 1.418 0.918 1.000 0.833 CB 1.684 12 residues pruned to eliminate duplicates Z: 8 10.407 2.141 0.681 0.400 1.000 0.429 CB 1.215 8 residues pruned to eliminate duplicates Z: 18 17.996 2.138 0.901 0.482 0.824 0.471 CB 1.328 18 residues pruned to eliminate duplicates Z: 15 6.152 1.791 0.754 0.192 0.643 0.357 CB 1.177 15 residues pruned to eliminate duplicates Z: 62 43.210 2.281 0.950 0.472 0.787 0.590 CB 1.626 61 residues pruned to eliminate duplicates Z: 53 47.384 2.325 1.052 0.520 0.904 0.519 CB 1.493 53 residues pruned to eliminate duplicates Z: 12 28.907 2.061 1.010 0.881 1.000 0.636 CB 1.524 12 residues pruned to eliminate duplicates Z: 11 13.971 2.210 0.692 0.435 0.800 0.300 CB 1.579 11 residues pruned to eliminate duplicates Z: 16 31.260 2.278 0.779 0.827 0.867 0.733 CB 1.732 16 residues pruned to eliminate duplicates Z: 40 43.592 2.323 1.035 0.489 0.872 0.538 CB 1.711 40 residues pruned to eliminate duplicates Z: 6 12.593 2.112 0.662 0.823 0.800 0.600 CA 1.516 6 residues pruned to eliminate duplicates Z: 34 34.653 2.299 1.028 0.480 0.909 0.545 CB 1.452 34 residues pruned to eliminate duplicates Z: 9 22.800 2.106 1.337 0.611 0.875 0.500 CB 1.684 9 residues pruned to eliminate duplicates Z: 13 28.718 2.016 0.844 0.891 1.000 0.750 CA 1.603 13 residues pruned to eliminate duplicates Z: 33 34.014 2.341 0.763 0.505 0.906 0.688 CB 1.599 33 residues pruned to eliminate duplicates Z: 132 91.345 2.349 1.099 0.526 0.893 0.588 CB 1.766 132 residues pruned to eliminate duplicates Z: 19 42.808 2.471 1.265 0.675 0.889 0.667 CB 1.725 19 residues pruned to eliminate duplicates Z: 16 38.511 2.281 0.745 0.890 1.000 0.800 CB 1.798 16 residues pruned to eliminate duplicates Z: 17 44.624 2.219 1.097 0.891 1.000 0.750 CB 1.724 17 residues pruned to eliminate duplicates Z: 45 45.076 2.392 0.906 0.527 0.909 0.614 CB 1.597 45 residues pruned to eliminate duplicates Z: 34 26.739 2.275 0.708 0.416 0.818 0.576 CA 1.598 34 residues pruned to eliminate duplicates Z: 87 63.747 2.338 1.018 0.501 0.860 0.500 CB 1.691 87 residues pruned to eliminate duplicates Z: 10 4.864 1.946 0.304 0.310 1.000 0.444 CB 0.789 Z: 8 17.784 1.934 0.629 0.858 1.000 0.429 CB 1.572 9 residues pruned to eliminate duplicates Z: 47 58.176 2.356 1.010 0.601 0.957 0.630 CA 1.720 47 residues pruned to eliminate duplicates Z: 12 15.107 2.027 0.380 0.901 1.000 0.909 CA 1.162 12 residues pruned to eliminate duplicates Z: 16 29.972 2.362 0.907 0.662 0.867 0.467 CA 1.706 16 residues pruned to eliminate duplicates Z: 16 32.571 2.412 0.597 0.901 0.933 0.867 CA 1.670 16 residues pruned to eliminate duplicates Z: 25 19.709 2.112 0.860 0.310 0.792 0.500 CB 1.597 25 residues pruned to eliminate duplicates Z: 27 10.090 1.981 0.570 0.227 0.692 0.385 CB 1.265 27 residues pruned to eliminate duplicates Z: 17 26.528 2.190 0.817 0.743 0.812 0.562 CA 1.649 17 residues pruned to eliminate duplicates Z: 25 30.390 2.171 0.933 0.588 0.833 0.500 CA 1.630 25 residues pruned to eliminate duplicates Z: 42 49.487 2.382 1.027 0.533 0.878 0.512 CA 1.764 42 residues pruned to eliminate duplicates Z: 17 20.656 2.250 0.733 0.512 1.000 0.688 CB 1.308 17 residues pruned to eliminate duplicates Z: 90 79.631 2.430 1.064 0.546 0.899 0.584 CB 1.790 90 residues pruned to eliminate duplicates 6 1.460 1.846 0.445 0.391 0.600 0.400 CB 0.458 ? Z: 13 19.749 2.054 0.519 0.858 1.000 0.917 CB 1.346 13 residues pruned to eliminate duplicates Z: 19 23.068 2.211 0.754 0.476 0.944 0.500 CB 1.521 19 residues pruned to eliminate duplicates Z: 17 46.345 2.244 1.222 0.881 1.000 0.438 CB 1.683 17 residues pruned to eliminate duplicates Z: 15 39.736 2.388 0.942 0.858 0.929 0.714 CA 1.815 15 residues pruned to eliminate duplicates Z: 18 13.838 2.113 0.811 0.429 0.765 0.471 CB 1.236 18 residues pruned to eliminate duplicates Z: 12 28.786 2.291 0.678 0.917 1.000 0.909 CB 1.593 12 residues pruned to eliminate duplicates Z: 13 19.893 2.092 0.364 0.890 1.000 0.833 CA 1.448 13 residues pruned to eliminate duplicates Z: 15 36.127 2.348 0.821 0.872 1.000 0.857 CB 1.646 15 residues pruned to eliminate duplicates Z: 54 40.446 2.222 0.818 0.435 0.906 0.566 CB 1.625 54 residues pruned to eliminate duplicates Z: 15 31.537 2.249 0.804 0.917 1.000 0.786 CA 1.466 15 residues pruned to eliminate duplicates Z: 22 25.946 2.216 0.988 0.506 0.762 0.524 CB 1.676 22 residues pruned to eliminate duplicates Z: 8 5.750 1.911 0.547 0.347 0.571 0.286 N 1.520 Z: 9 7.716 1.954 0.212 0.777 0.750 0.375 CB 1.202 9 residues pruned to eliminate duplicates Z: 68 45.863 2.265 0.919 0.392 0.896 0.537 CB 1.613 68 residues pruned to eliminate duplicates Z: 12 19.750 1.964 1.088 0.821 0.909 0.545 CB 1.209 12 residues pruned to eliminate duplicates Z: 17 24.846 2.245 0.772 0.614 0.875 0.438 CB 1.603 17 residues pruned to eliminate duplicates Z: 29 16.872 2.130 0.674 0.399 0.786 0.643 CB 1.266 29 residues pruned to eliminate duplicates Z: 46 35.959 2.201 1.023 0.450 0.822 0.556 CB 1.542 46 residues pruned to eliminate duplicates Z: 25 17.899 2.108 0.969 0.351 0.750 0.500 CB 1.380 35 residues pruned to eliminate duplicates Z: 13 39.848 2.214 1.343 0.902 1.000 0.500 CB 1.581 13 residues pruned to eliminate duplicates Z: 21 17.495 2.029 0.744 0.417 0.900 0.450 CB 1.339 21 residues pruned to eliminate duplicates Z: 19 20.909 2.006 0.829 0.482 0.833 0.444 CB 1.642 19 residues pruned to eliminate duplicates Z: 7 9.051 1.876 0.907 0.602 0.667 0.500 O 1.406 7 residues pruned to eliminate duplicates Z: 17 23.032 2.039 1.103 0.446 0.875 0.625 CB 1.622 17 residues pruned to eliminate duplicates Z: 50 42.005 2.288 0.973 0.493 0.837 0.551 CB 1.600 50 residues pruned to eliminate duplicates Z: 22 16.472 1.911 0.683 0.392 0.905 0.429 CB 1.384 22 residues pruned to eliminate duplicates Z: 17 15.391 2.079 0.509 0.408 0.875 0.438 CB 1.544 17 residues pruned to eliminate duplicates Z: 15 35.412 2.365 0.799 0.801 0.929 0.571 CA 1.841 15 residues pruned to eliminate duplicates Z: 8 5.284 1.705 0.768 0.240 0.714 0.286 CA 1.252 Z: 6 14.007 2.073 0.621 0.841 1.000 0.800 CA 1.391 6 residues pruned to eliminate duplicates Z: 10 7.197 1.812 0.631 0.382 0.778 0.444 CB 1.183 Z: 16 17.386 2.008 1.046 0.434 0.867 0.533 CB 1.350 16 residues pruned to eliminate duplicates Z: 9 3.823 1.928 0.361 0.296 0.625 0.500 CB 1.036 Z: 10 11.269 1.891 1.024 0.693 0.667 0.444 CB 1.234 10 residues pruned to eliminate duplicates Z: 8 6.324 1.773 0.049 0.547 0.857 0.857 O 1.431 Z: 9 11.036 1.781 0.910 0.440 0.875 0.625 CA 1.395 9 residues pruned to eliminate duplicates Z: 21 28.311 2.149 1.050 0.534 0.800 0.700 CB 1.737 21 residues pruned to eliminate duplicates Z: 19 26.572 2.223 0.972 0.528 0.833 0.556 CB 1.669 19 residues pruned to eliminate duplicates Z: 56 59.899 2.335 1.094 0.580 0.927 0.491 CB 1.650 56 residues pruned to eliminate duplicates Z: 43 53.696 2.322 1.137 0.602 0.905 0.571 CA 1.676 43 residues pruned to eliminate duplicates Z: 18 18.469 2.153 0.778 0.497 0.765 0.471 CB 1.536 18 residues pruned to eliminate duplicates Z: 31 24.488 2.032 0.857 0.412 0.800 0.467 CB 1.625 31 residues pruned to eliminate duplicates Z: 11 15.320 1.920 0.662 0.488 1.000 0.700 CB 1.537 10 residues pruned to eliminate duplicates Z: 18 16.370 2.252 0.400 0.397 0.941 0.647 CB 1.491 17 residues pruned to eliminate duplicates Z: 9 8.347 1.952 0.361 0.481 0.875 0.750 CB 1.294 9 residues pruned to eliminate duplicates Z: 27 24.687 2.105 0.789 0.579 0.846 0.615 CB 1.407 27 residues pruned to eliminate duplicates Z: 7 15.712 1.932 0.853 0.687 1.000 0.833 CB 1.510 Z: 8 14.941 2.121 0.725 0.701 0.857 0.857 CB 1.499 Z: 39 49.637 2.386 1.097 0.560 0.868 0.500 CB 1.748 39 residues pruned to eliminate duplicates Z: 11 4.002 1.654 0.261 0.399 1.000 0.900 CB 0.675 Z: 6 3.218 1.388 0.520 0.580 0.800 0.800 O 0.789 Z: 10 6.267 1.728 0.600 0.446 0.667 0.444 CB 1.198 Z: 13 9.744 1.972 0.803 0.330 0.750 0.667 CB 1.271 Z: 12 24.875 2.078 1.023 0.923 1.000 1.000 CA 1.254 12 residues pruned to eliminate duplicates Z: 7 4.208 2.047 0.531 0.456 0.667 0.500 CB 0.860 Z: 8 14.703 1.955 0.681 0.897 0.857 0.714 CB 1.412 8 residues pruned to eliminate duplicates Z: 15 13.594 1.964 0.574 0.452 0.929 0.714 CB 1.329 17 residues pruned to eliminate duplicates Z: 18 28.700 2.248 0.730 0.571 0.941 0.765 CB 1.774 18 residues pruned to eliminate duplicates Z: 7 11.480 1.976 0.960 0.748 0.833 0.667 CB 1.163 7 residues pruned to eliminate duplicates Z: 8 6.011 1.873 0.262 0.480 0.857 0.714 CB 1.144 Z: 16 40.112 2.428 1.241 0.839 0.933 0.733 CB 1.523 16 residues pruned to eliminate duplicates Z: 10 17.221 1.753 0.839 0.888 1.000 0.556 CB 1.283 10 residues pruned to eliminate duplicates Z: 29 26.080 2.090 0.728 0.522 0.929 0.571 CB 1.439 28 residues pruned to eliminate duplicates Z: 9 17.239 2.066 1.164 0.788 0.875 0.500 CB 1.210 9 residues pruned to eliminate duplicates Z: 19 19.487 2.141 0.739 0.435 0.889 0.611 CB 1.485 18 residues pruned to eliminate duplicates Z: 13 24.105 2.200 0.760 0.875 0.833 0.750 CA 1.569 13 residues pruned to eliminate duplicates Z: 12 37.511 2.219 1.181 0.930 1.000 0.455 CB 1.634 26 residues pruned to eliminate duplicates Z: 11 34.855 2.325 0.949 0.904 1.000 0.800 CB 1.732 11 residues pruned to eliminate duplicates Z: 15 13.759 2.147 0.537 0.381 0.786 0.571 CB 1.610 15 residues pruned to eliminate duplicates Z: 11 6.445 1.665 0.272 0.414 0.900 0.500 CB 1.170 Z: 7 9.177 1.969 0.870 0.802 0.833 0.500 CA 0.938 7 residues pruned to eliminate duplicates Z: 21 43.962 2.270 1.099 0.710 1.000 0.700 CA 1.704 21 residues pruned to eliminate duplicates Z: 9 6.261 1.652 0.640 0.374 0.750 0.375 O 1.246 7 residues pruned to eliminate duplicates Z: 11 2.676 1.549 0.457 0.255 0.600 0.400 N 0.827 Z: 20 19.145 2.097 0.699 0.381 0.947 0.579 CB 1.477 20 residues pruned to eliminate duplicates Z: 7 18.682 1.950 0.948 0.783 1.000 0.833 CB 1.566 Z: 16 17.484 2.051 0.710 0.513 0.800 0.733 CB 1.589 16 residues pruned to eliminate duplicates Z: 19 26.788 2.368 0.934 0.344 0.889 0.556 CA 1.838 19 residues pruned to eliminate duplicates Z: 9 12.619 1.766 0.683 0.857 1.000 0.500 CB 1.106 9 residues pruned to eliminate duplicates Z: 25 31.021 2.089 0.788 0.623 0.917 0.750 CB 1.646 15 residues pruned to eliminate duplicates Z: 16 23.499 2.087 0.713 0.898 0.933 0.800 CA 1.301 16 residues pruned to eliminate duplicates Z: 7 6.588 1.916 0.397 0.379 1.000 0.833 CB 1.143 Z: 38 42.000 2.332 0.919 0.426 0.919 0.541 CA 1.814 38 residues pruned to eliminate duplicates Z: 64 57.365 2.327 1.023 0.500 0.889 0.540 CB 1.726 64 residues pruned to eliminate duplicates Z: 42 46.545 2.343 0.958 0.489 0.902 0.610 CB 1.776 42 residues pruned to eliminate duplicates Z: 25 21.494 2.285 1.083 0.420 0.667 0.333 CB 1.504 25 residues pruned to eliminate duplicates Z: 11 9.552 1.936 0.714 0.362 0.800 0.600 CB 1.320 11 residues pruned to eliminate duplicates Z: 9 9.563 1.784 0.947 0.561 0.750 0.625 CB 1.224 9 residues pruned to eliminate duplicates Z: 13 7.822 1.708 0.625 0.319 0.750 0.500 CB 1.324 13 residues pruned to eliminate duplicates Z: 83 67.217 2.292 1.156 0.530 0.878 0.488 CB 1.662 83 residues pruned to eliminate duplicates Z: 38 30.975 2.186 0.709 0.578 0.838 0.622 CB 1.510 41 residues pruned to eliminate duplicates Z: 10 14.700 2.168 0.773 0.562 0.889 0.556 CA 1.350 10 residues pruned to eliminate duplicates Z: 10 9.649 1.819 0.634 0.356 0.889 0.667 CB 1.421 6 residues pruned to eliminate duplicates Z: 58 53.152 2.396 0.861 0.527 0.895 0.561 CB 1.719 58 residues pruned to eliminate duplicates Z: 11 6.485 1.653 1.150 0.418 0.600 0.500 CB 1.047 8 residues pruned to eliminate duplicates Z: 8 9.645 1.867 0.158 0.802 0.857 0.571 CA 1.511 8 residues pruned to eliminate duplicates Z: 24 14.212 1.991 0.745 0.400 0.783 0.522 CB 1.210 24 residues pruned to eliminate duplicates Z: 13 20.949 2.009 0.527 0.871 1.000 0.833 CB 1.437 13 residues pruned to eliminate duplicates Z: 16 19.645 2.228 0.740 0.476 0.867 0.600 CB 1.548 16 residues pruned to eliminate duplicates Z: 26 26.018 2.099 0.852 0.470 0.840 0.680 CB 1.643 26 residues pruned to eliminate duplicates Z: 16 40.194 2.316 0.887 0.858 1.000 0.800 CB 1.749 16 residues pruned to eliminate duplicates Z: 16 35.077 2.192 1.122 0.867 0.933 0.667 CB 1.526 16 residues pruned to eliminate duplicates Z: 11 18.687 2.396 0.575 0.690 0.900 0.400 CB 1.463 11 residues pruned to eliminate duplicates Z: 6 2.666 1.699 0.518 0.371 0.600 0.200 O 0.884 Z: 33 32.029 2.352 0.962 0.501 0.875 0.531 CB 1.400 33 residues pruned to eliminate duplicates Z: 37 18.044 2.098 0.525 0.314 0.861 0.333 CB 1.341 34 residues pruned to eliminate duplicates Z: 21 29.408 2.235 0.938 0.705 0.900 0.750 CB 1.399 21 residues pruned to eliminate duplicates Z: 53 66.607 2.430 1.123 0.546 0.962 0.519 CB 1.780 53 residues pruned to eliminate duplicates Z: 8 27.381 2.566 1.285 0.701 0.714 0.429 CB 2.057 8 residues pruned to eliminate duplicates Z: 17 40.858 2.362 1.049 0.889 0.938 0.875 CA 1.621 17 residues pruned to eliminate duplicates Z: 51 50.476 2.345 1.115 0.504 0.860 0.580 CB 1.666 51 residues pruned to eliminate duplicates Z: 6 13.961 2.023 0.758 0.878 1.000 1.000 CB 1.274 6 residues pruned to eliminate duplicates Z: 14 15.427 2.134 0.671 0.466 0.846 0.692 CB 1.468 13 residues pruned to eliminate duplicates Z: 13 32.153 2.347 0.976 0.893 1.000 0.750 CB 1.437 13 residues pruned to eliminate duplicates Z: 6 3.194 1.702 0.455 0.335 0.600 0.600 CA 1.151 Z: 17 12.126 1.880 0.841 0.450 0.812 0.500 CB 1.135 20 residues pruned to eliminate duplicates Z: 16 30.995 2.132 0.975 0.899 1.000 0.533 CB 1.359 16 residues pruned to eliminate duplicates Z: 14 23.105 2.247 0.821 0.420 0.923 0.462 CB 1.845 Z: 19 14.655 2.058 0.417 0.457 0.944 0.611 CB 1.311 30 residues pruned to eliminate duplicates Z: 10 23.129 2.284 1.151 0.538 0.889 0.333 CA 1.700 10 residues pruned to eliminate duplicates Z: 9 14.908 2.016 0.541 0.795 0.875 0.500 CA 1.498 9 residues pruned to eliminate duplicates Z: 8 2.822 1.683 0.132 0.468 0.714 0.714 CB 0.810 Z: 28 24.495 2.203 1.077 0.295 0.778 0.296 CB 1.665 28 residues pruned to eliminate duplicates Z: 9 7.750 1.800 0.610 0.469 0.875 0.750 CB 1.115 10 residues pruned to eliminate duplicates Z: 6 4.950 1.542 0.438 0.544 0.800 0.800 N 1.196 Z: 6 3.497 1.851 0.028 0.478 0.800 0.800 N 1.051 Z: 92 79.702 2.367 1.159 0.526 0.901 0.549 CB 1.769 92 residues pruned to eliminate duplicates Z: 11 7.255 1.699 0.195 0.529 0.900 0.500 CB 1.221 Z: 6 6.417 1.727 0.493 0.542 0.800 0.800 CB 1.335 Z: 27 19.953 2.135 0.824 0.422 0.731 0.615 CB 1.492 27 residues pruned to eliminate duplicates Z: 12 20.659 1.866 1.009 0.869 1.000 0.636 CB 1.213 11 residues pruned to eliminate duplicates Z: 7 14.310 2.108 1.040 0.766 1.000 1.000 CB 1.073 6 residues pruned to eliminate duplicates Z: 7 19.504 2.003 0.798 0.899 1.000 0.500 CB 1.580 7 residues pruned to eliminate duplicates Z: 43 33.903 2.024 0.689 0.572 0.929 0.619 CB 1.538 40 residues pruned to eliminate duplicates Z: 15 13.781 2.162 1.438 0.677 0.643 0.214 CB 0.924 15 residues pruned to eliminate duplicates Z: 24 15.179 2.192 0.520 0.402 0.696 0.478 CB 1.514 24 residues pruned to eliminate duplicates Z: 13 41.451 2.485 1.174 0.913 0.917 0.583 CA 1.710 13 residues pruned to eliminate duplicates Z: 18 29.273 2.065 0.860 0.860 0.882 0.647 CB 1.540 18 residues pruned to eliminate duplicates Z: 13 8.522 1.967 0.535 0.271 0.833 0.500 CB 1.268 13 residues pruned to eliminate duplicates Z: 10 8.084 1.883 0.413 0.582 0.889 0.778 CB 1.053 10 residues pruned to eliminate duplicates Z: 12 26.908 2.192 1.113 0.904 0.818 0.455 CB 1.525 12 residues pruned to eliminate duplicates Z: 19 13.939 1.905 0.483 0.407 0.889 0.556 CB 1.442 19 residues pruned to eliminate duplicates Z: 47 34.086 2.204 0.861 0.421 0.848 0.435 CB 1.569 47 residues pruned to eliminate duplicates Z: 6 3.117 1.702 0.533 0.398 0.800 0.600 CB 0.744 Z: 8 14.773 1.864 0.594 0.891 1.000 0.714 CB 1.351 8 residues pruned to eliminate duplicates Z: 15 32.038 2.208 0.862 0.855 1.000 0.714 CA 1.536 15 residues pruned to eliminate duplicates Z: 19 12.226 2.147 0.616 0.400 0.889 0.611 CB 1.038 19 residues pruned to eliminate duplicates Z: 60 47.816 2.277 0.995 0.481 0.881 0.576 CB 1.584 60 residues pruned to eliminate duplicates Z: 12 28.229 2.308 1.056 0.921 1.000 0.636 CB 1.262 12 residues pruned to eliminate duplicates Z: 61 51.032 2.269 0.966 0.564 0.933 0.500 CB 1.488 61 residues pruned to eliminate duplicates Z: 18 14.574 1.864 0.640 0.509 0.882 0.471 CB 1.299 18 residues pruned to eliminate duplicates Z: 6 5.469 1.555 0.488 0.779 0.800 0.600 CB 1.033 Z: 9 12.462 2.140 0.639 0.364 0.875 0.625 CA 1.661 9 residues pruned to eliminate duplicates Z: 14 32.639 2.403 0.855 0.882 0.846 0.692 CB 1.736 14 residues pruned to eliminate duplicates Z: 10 33.477 2.146 1.174 0.922 1.000 0.667 CB 1.682 10 residues pruned to eliminate duplicates Z: 15 17.011 1.919 0.526 0.770 0.857 0.357 CA 1.426 15 residues pruned to eliminate duplicates Z: 7 9.729 1.928 0.951 0.411 0.833 0.833 CB 1.391 7 residues pruned to eliminate duplicates Z: 32 31.262 2.327 0.936 0.518 0.839 0.581 CB 1.459 32 residues pruned to eliminate duplicates Z: 16 39.667 2.412 0.941 0.834 1.000 0.867 CA 1.640 16 residues pruned to eliminate duplicates Z: 63 51.759 2.345 0.979 0.485 0.887 0.468 CB 1.620 63 residues pruned to eliminate duplicates Z: 27 30.804 2.167 0.824 0.604 0.923 0.577 CB 1.500 27 residues pruned to eliminate duplicates Z: 23 17.568 1.884 0.936 0.431 0.909 0.364 CB 1.214 23 residues pruned to eliminate duplicates Z: 64 47.591 2.222 1.061 0.492 0.873 0.444 CB 1.512 64 residues pruned to eliminate duplicates Z: 14 32.765 2.254 1.094 0.886 1.000 0.692 CB 1.389 14 residues pruned to eliminate duplicates Z: 51 37.840 2.132 0.788 0.531 0.920 0.600 CB 1.480 51 residues pruned to eliminate duplicates Z: 11 26.223 2.120 0.900 0.922 1.000 0.700 CB 1.448 11 residues pruned to eliminate duplicates Z: 10 8.097 2.174 0.252 0.392 0.667 0.444 CA 1.667 10 residues pruned to eliminate duplicates Z: 11 12.705 1.781 0.612 0.620 0.900 0.800 CB 1.388 Z: 6 9.564 1.913 0.814 0.798 0.800 0.800 CB 1.188 6 residues pruned to eliminate duplicates Z: 8 20.971 2.236 0.991 0.749 0.857 0.714 CA 1.663 8 residues pruned to eliminate duplicates Z: 8 14.001 1.940 0.476 0.857 0.857 0.571 CA 1.590 8 residues pruned to eliminate duplicates Z: 44 41.190 2.291 0.947 0.500 0.860 0.581 CB 1.636 44 residues pruned to eliminate duplicates Z: 21 14.028 2.063 0.650 0.395 0.750 0.400 CB 1.373 21 residues pruned to eliminate duplicates Z: 6 3.570 1.530 0.374 0.300 0.800 0.600 CA 1.187 5 residues pruned to eliminate duplicates Z: 9 14.033 2.035 0.989 0.657 0.875 0.625 CB 1.211 Z: 17 40.758 2.175 1.083 0.844 1.000 0.812 CB 1.674 17 residues pruned to eliminate duplicates Z: 48 41.495 2.161 0.749 0.573 0.936 0.532 CB 1.594 48 residues pruned to eliminate duplicates Z: 6 2.134 1.748 -0.053 0.466 0.800 0.400 CB 0.746 Z: 28 30.633 2.225 0.859 0.568 0.815 0.556 CB 1.638 28 residues pruned to eliminate duplicates Z: 7 15.540 2.102 0.949 0.515 0.833 0.333 O 1.830 7 residues pruned to eliminate duplicates Z: 6 5.848 1.813 0.374 0.613 0.800 0.400 CB 1.179 Z: 19 10.969 1.961 0.518 0.417 0.833 0.500 CB 1.137 19 residues pruned to eliminate duplicates Z: 8 7.773 1.676 0.619 0.423 0.857 0.571 CB 1.368 Z: 15 9.950 1.857 0.532 0.337 0.929 0.286 CB 1.203 16 residues pruned to eliminate duplicates Z: 104 56.587 2.212 0.942 0.472 0.845 0.515 CB 1.580 104 residues pruned to eliminate duplicates Z: 7 7.955 1.673 0.502 0.785 0.833 0.667 CB 1.207 7 residues pruned to eliminate duplicates Z: 43 30.853 2.233 0.809 0.417 0.810 0.524 CB 1.588 43 residues pruned to eliminate duplicates Z: 6 7.142 1.969 1.008 0.406 0.800 0.400 CA 1.114 6 residues pruned to eliminate duplicates Z: 9 14.594 1.746 0.940 0.799 0.875 0.625 O 1.340 15 residues pruned to eliminate duplicates Z: 11 3.190 1.721 0.690 0.167 0.700 0.300 CB 0.743 11 residues pruned to eliminate duplicates Z: 14 11.370 2.142 0.630 0.268 0.769 0.538 CB 1.528 14 residues pruned to eliminate duplicates Z: 17 16.278 2.055 0.802 0.441 0.875 0.688 CB 1.335 17 residues pruned to eliminate duplicates Z: 8 2.010 1.334 0.906 0.209 0.429 0.143 N 0.984 Z: 9 3.959 1.627 0.281 0.495 0.750 0.500 CB 0.900 Z: 12 10.121 2.142 0.292 0.388 0.818 0.273 CA 1.518 12 residues pruned to eliminate duplicates Z: 42 31.483 2.172 0.815 0.464 0.854 0.512 CB 1.516 42 residues pruned to eliminate duplicates Z: 34 41.847 2.278 0.996 0.577 0.879 0.667 CB 1.693 34 residues pruned to eliminate duplicates Z: 10 13.896 1.981 0.557 0.482 1.000 0.444 CA 1.529 10 residues pruned to eliminate duplicates Z: 15 15.886 2.123 0.777 0.451 0.786 0.500 CB 1.506 15 residues pruned to eliminate duplicates Z: 24 35.115 2.291 0.699 0.670 0.957 0.826 CB 1.681 24 residues pruned to eliminate duplicates Z: 12 24.954 2.259 0.991 0.679 0.818 0.273 CA 1.734 12 residues pruned to eliminate duplicates Z: 18 36.905 2.301 0.983 0.861 0.882 0.765 CB 1.634 18 residues pruned to eliminate duplicates Z: 15 10.076 1.925 0.708 0.327 0.643 0.500 CB 1.541 15 residues pruned to eliminate duplicates Z: 8 9.576 2.089 0.283 0.466 0.857 0.571 CA 1.632 Z: 16 42.834 2.353 0.993 0.888 1.000 0.800 CB 1.700 16 residues pruned to eliminate duplicates Z: 21 26.674 2.154 1.126 0.478 0.900 0.450 CB 1.479 21 residues pruned to eliminate duplicates Z: 37 29.395 2.147 0.783 0.535 0.806 0.667 CA 1.535 37 residues pruned to eliminate duplicates Z: 10 7.406 2.081 0.525 0.274 0.667 0.333 CB 1.508 10 residues pruned to eliminate duplicates Z: 8 14.940 1.972 0.632 0.740 1.000 0.571 CB 1.415 8 residues pruned to eliminate duplicates Z: 77 40.217 2.106 0.765 0.493 0.855 0.500 CB 1.462 77 residues pruned to eliminate duplicates Z: 8 3.641 1.583 0.187 0.623 0.714 0.429 CB 0.913 Z: 11 21.597 2.242 0.765 0.912 1.000 0.800 CA 1.223 11 residues pruned to eliminate duplicates Z: 9 22.388 2.186 0.844 0.779 0.875 0.625 CB 1.753 9 residues pruned to eliminate duplicates Z: 12 30.407 2.160 0.914 0.891 1.000 0.727 CA 1.594 12 residues pruned to eliminate duplicates Z: 113 83.560 2.368 1.101 0.529 0.911 0.545 CB 1.693 113 residues pruned to eliminate duplicates Z: 53 71.234 2.428 1.169 0.545 0.962 0.500 CA 1.867 53 residues pruned to eliminate duplicates Z: 11 5.335 1.795 0.521 0.319 0.600 0.500 CA 1.258 Z: 10 9.141 2.030 0.579 0.258 0.778 0.556 CB 1.613 10 residues pruned to eliminate duplicates Z: 10 6.011 1.951 -0.024 0.586 0.889 0.556 CB 1.090 Z: 65 56.743 2.224 1.046 0.560 0.906 0.609 CB 1.622 65 residues pruned to eliminate duplicates Z: 18 36.028 2.095 1.166 0.851 0.941 0.353 CB 1.515 18 residues pruned to eliminate duplicates Z: 21 10.330 2.035 0.446 0.406 0.750 0.500 CB 1.155 21 residues pruned to eliminate duplicates Z: 10 34.099 2.176 1.327 0.909 1.000 0.556 CB 1.594 11 residues pruned to eliminate duplicates Z: 24 20.176 2.117 0.607 0.463 0.826 0.565 CB 1.554 24 residues pruned to eliminate duplicates Z: 10 10.759 2.171 0.630 0.248 0.778 0.444 CB 1.741 10 residues pruned to eliminate duplicates Z: 9 16.027 2.197 0.810 0.432 0.875 0.625 CB 1.747 10 residues pruned to eliminate duplicates Z: 9 13.179 1.775 1.428 0.575 0.875 0.375 CB 1.150 9 residues pruned to eliminate duplicates Z: 67 37.413 2.052 0.687 0.507 0.848 0.576 CB 1.556 67 residues pruned to eliminate duplicates Z: 10 6.326 1.999 0.555 0.424 0.556 0.333 CA 1.321 10 residues pruned to eliminate duplicates Z: 9 14.445 1.782 0.870 0.816 0.875 0.500 CB 1.331 9 residues pruned to eliminate duplicates Z: 12 3.678 1.658 0.434 0.262 0.727 0.364 CB 0.842 Z: 21 17.264 2.134 0.618 0.418 0.950 0.700 CB 1.282 21 residues pruned to eliminate duplicates Z: 22 20.634 2.030 0.686 0.495 0.857 0.476 CB 1.543 22 residues pruned to eliminate duplicates Z: 17 19.573 2.270 0.801 0.525 0.750 0.500 CB 1.556 17 residues pruned to eliminate duplicates Z: 6 8.769 1.663 0.611 0.727 1.000 0.800 CB 1.194 Z: 14 35.812 2.304 1.080 0.917 1.000 0.769 CB 1.463 14 residues pruned to eliminate duplicates Z: 13 37.583 2.391 1.108 0.911 0.917 0.750 CB 1.664 13 residues pruned to eliminate duplicates Z: 9 16.605 1.955 0.918 0.882 0.875 0.625 CB 1.294 9 residues pruned to eliminate duplicates Z: 13 15.155 2.085 0.468 0.491 0.833 0.667 CA 1.730 13 residues pruned to eliminate duplicates Z: 20 13.809 2.070 0.793 0.378 0.789 0.526 CB 1.231 20 residues pruned to eliminate duplicates Z: 7 4.383 1.840 -0.037 0.550 0.667 0.333 CA 1.442 Z: 19 20.039 1.883 0.631 0.633 0.889 0.556 CB 1.526 19 residues pruned to eliminate duplicates Z: 7 9.680 1.660 0.698 0.848 1.000 0.667 CB 1.040 7 residues pruned to eliminate duplicates Z: 9 9.389 1.736 0.559 0.779 0.750 0.375 CB 1.279 9 residues pruned to eliminate duplicates Z: 6 6.720 2.064 0.109 0.763 1.000 0.800 CB 1.039 Z: 57 54.570 2.359 0.966 0.489 0.911 0.643 CB 1.746 57 residues pruned to eliminate duplicates Z: 40 32.428 2.203 0.856 0.450 0.923 0.436 CB 1.448 54 residues pruned to eliminate duplicates Z: 14 27.395 2.233 1.159 0.895 0.769 0.538 CB 1.469 14 residues pruned to eliminate duplicates Z: 19 17.084 2.204 0.613 0.359 0.889 0.500 CB 1.483 19 residues pruned to eliminate duplicates Z: 38 34.856 2.255 0.805 0.476 0.838 0.541 CB 1.722 38 residues pruned to eliminate duplicates Z: 8 5.965 1.713 0.873 0.384 0.714 0.571 CB 1.112 8 residues pruned to eliminate duplicates Z: 6 7.683 2.055 0.346 0.433 1.000 0.600 CB 1.332 6 residues pruned to eliminate duplicates Z: 13 11.993 1.666 0.887 0.396 0.833 0.417 N 1.476 Z: 9 6.381 1.696 0.282 0.870 0.875 0.750 CB 0.865 9 residues pruned to eliminate duplicates Z: 13 37.873 2.240 1.194 0.918 1.000 0.917 CB 1.568 13 residues pruned to eliminate duplicates Z: 23 25.306 2.427 0.853 0.386 0.909 0.591 CB 1.490 23 residues pruned to eliminate duplicates Z: 14 7.187 1.706 0.290 0.300 0.846 0.538 CB 1.338 9 residues pruned to eliminate duplicates Z: 18 23.680 2.165 0.835 0.476 0.941 0.588 CA 1.574 18 residues pruned to eliminate duplicates 12 1.748 1.436 0.140 0.245 0.545 0.182 CB 0.792 ? Z: 9 2.817 1.708 0.045 0.265 0.625 0.500 CB 1.168 Z: 6 17.908 2.020 0.844 0.834 1.000 0.600 CB 1.613 6 residues pruned to eliminate duplicates Z: 27 27.458 2.240 0.826 0.485 0.846 0.500 CB 1.579 22 residues pruned to eliminate duplicates Z: 102 75.749 2.343 0.980 0.527 0.921 0.594 CB 1.718 102 residues pruned to eliminate duplicates Z: 43 49.779 2.316 0.957 0.540 0.929 0.690 CB 1.755 43 residues pruned to eliminate duplicates Z: 74 66.697 2.365 1.072 0.501 0.918 0.521 CB 1.733 74 residues pruned to eliminate duplicates Z: 9 2.261 1.714 -0.236 0.303 0.750 0.375 N 1.013 Z: 42 51.916 2.407 1.085 0.548 0.927 0.659 CB 1.663 42 residues pruned to eliminate duplicates Z: 26 41.748 2.393 1.180 0.615 0.880 0.600 CB 1.631 26 residues pruned to eliminate duplicates Z: 6 5.934 1.862 -0.088 0.730 1.000 0.600 CB 1.270 7 residues pruned to eliminate duplicates Z: 19 15.948 1.871 0.512 0.481 0.889 0.556 CB 1.524 19 residues pruned to eliminate duplicates Z: 13 31.498 2.125 0.866 0.920 1.000 0.750 CB 1.615 13 residues pruned to eliminate duplicates Z: 11 2.516 1.829 0.148 0.225 0.600 0.400 CB 0.871 Z: 8 11.628 1.748 0.991 0.579 1.000 0.714 CB 1.171 8 residues pruned to eliminate duplicates Z: 18 29.526 2.217 0.808 0.727 0.941 0.412 CB 1.548 18 residues pruned to eliminate duplicates Z: 41 33.375 2.198 0.717 0.488 0.900 0.600 CB 1.572 41 residues pruned to eliminate duplicates Z: 51 38.530 2.217 0.884 0.474 0.880 0.560 CB 1.522 51 residues pruned to eliminate duplicates Z: 6 9.006 1.820 0.478 0.684 0.800 0.600 CB 1.580 Z: 16 30.366 2.285 0.774 0.841 0.933 0.867 CA 1.544 16 residues pruned to eliminate duplicates Z: 8 5.490 1.471 0.670 0.421 0.857 0.571 O 1.070 Z: 38 46.844 2.382 1.174 0.555 0.838 0.595 CB 1.683 38 residues pruned to eliminate duplicates Z: 6 2.000 1.387 0.466 0.299 0.800 0.400 N 0.689 Z: 8 15.183 1.905 1.052 0.900 0.857 0.286 CB 1.223 8 residues pruned to eliminate duplicates Z: 14 35.063 2.319 0.926 0.881 1.000 0.769 CA 1.576 14 residues pruned to eliminate duplicates Z: 11 11.411 1.729 0.821 0.547 0.900 0.600 CB 1.216 12 residues pruned to eliminate duplicates Z: 17 6.226 1.889 0.458 0.228 0.750 0.438 CB 1.035 17 residues pruned to eliminate duplicates Z: 7 9.343 1.594 0.749 0.859 1.000 1.000 CB 1.007 7 residues pruned to eliminate duplicates Z: 60 48.130 2.367 0.860 0.537 0.814 0.627 CB 1.686 60 residues pruned to eliminate duplicates Z: 89 52.981 2.275 0.786 0.493 0.909 0.568 CB 1.540 89 residues pruned to eliminate duplicates Z: 43 43.952 2.264 0.927 0.531 0.952 0.429 CB 1.583 43 residues pruned to eliminate duplicates Z: 6 2.490 1.427 0.520 0.419 0.600 0.400 CB 0.931 Z: 8 5.442 1.535 0.847 0.335 0.857 0.429 CB 1.014 8 residues pruned to eliminate duplicates Z: 71 58.654 2.300 1.106 0.479 0.886 0.514 CB 1.670 71 residues pruned to eliminate duplicates Z: 12 32.642 2.193 0.964 0.871 1.000 1.000 CA 1.667 12 residues pruned to eliminate duplicates Z: 29 22.649 2.087 0.844 0.424 0.857 0.500 CB 1.404 29 residues pruned to eliminate duplicates Z: 7 11.322 1.855 0.569 0.693 0.833 0.833 N 1.597 Z: 6 9.384 1.770 1.231 0.720 0.800 0.400 CB 1.089 Z: 8 5.076 1.769 0.712 0.551 0.571 0.429 CB 1.055 8 residues pruned to eliminate duplicates Z: 87 73.362 2.352 1.044 0.501 0.907 0.616 CB 1.812 95 residues pruned to eliminate duplicates Z: 16 25.009 2.124 1.107 0.410 0.933 0.533 CB 1.699 16 residues pruned to eliminate duplicates Z: 6 5.032 1.709 0.316 0.415 0.800 0.600 CA 1.367 Z: 9 2.255 1.641 0.293 0.215 0.750 0.375 N 0.700 Z: 6 5.280 1.774 -0.110 0.691 1.000 0.800 N 1.255 Z: 15 25.097 2.447 1.085 0.419 0.857 0.500 CA 1.669 15 residues pruned to eliminate duplicates Z: 6 3.215 1.445 0.466 0.410 0.800 0.400 C 0.933 Z: 8 10.987 1.667 0.745 0.653 0.857 0.429 O 1.445 Z: 6 2.505 1.681 0.446 0.277 0.800 0.800 CA 0.741 Z: 13 6.471 1.765 0.493 0.166 0.917 0.417 CB 1.162 13 residues pruned to eliminate duplicates Z: 16 41.876 2.269 1.116 0.895 1.000 0.533 CA 1.614 16 residues pruned to eliminate duplicates Z: 10 21.665 2.233 0.892 0.492 1.000 0.778 CA 1.723 10 residues pruned to eliminate duplicates Z: 8 7.918 1.982 0.070 0.554 1.000 0.429 CB 1.339 11 residues pruned to eliminate duplicates Z: 41 41.487 2.279 1.041 0.454 0.875 0.550 CB 1.691 41 residues pruned to eliminate duplicates Z: 20 22.522 2.113 0.941 0.593 0.789 0.579 CB 1.459 20 residues pruned to eliminate duplicates Z: 7 5.976 2.027 0.673 0.557 0.833 0.667 CB 0.817 7 residues pruned to eliminate duplicates Z: 6 4.007 2.236 0.890 0.114 0.600 0.200 CB 1.152 6 residues pruned to eliminate duplicates Z: 9 12.617 1.772 0.539 0.812 0.875 0.750 O 1.425 9 residues pruned to eliminate duplicates Z: 10 20.707 2.224 1.235 0.598 0.778 0.667 CB 1.626 10 residues pruned to eliminate duplicates Z: 41 46.766 2.262 1.079 0.522 0.975 0.550 CB 1.578 41 residues pruned to eliminate duplicates Z: 22 20.437 2.193 0.748 0.426 0.857 0.571 CB 1.465 22 residues pruned to eliminate duplicates Z: 9 9.796 1.762 0.926 0.674 0.750 0.375 CB 1.158 Z: 23 19.300 2.249 0.618 0.384 0.909 0.818 CB 1.407 23 residues pruned to eliminate duplicates Z: 15 33.766 2.237 1.059 0.896 1.000 0.857 CA 1.403 15 residues pruned to eliminate duplicates Z: 16 15.629 1.938 0.566 0.492 0.933 0.667 CB 1.436 Z: 11 15.503 2.108 0.608 0.452 0.900 0.600 CB 1.689 11 residues pruned to eliminate duplicates Z: 39 41.629 2.143 0.935 0.584 0.921 0.553 CB 1.632 39 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 6.023 1.780 1.060 0.274 0.800 0.400 O 1.186 6 residues pruned to eliminate duplicates Z: 17 19.497 2.084 0.779 0.512 0.875 0.375 CB 1.485 17 residues pruned to eliminate duplicates Z: 38 34.999 2.214 0.767 0.565 0.892 0.514 CB 1.548 38 residues pruned to eliminate duplicates Z: 18 20.418 2.052 0.848 0.552 0.882 0.412 CB 1.407 18 residues pruned to eliminate duplicates Z: 17 21.505 2.168 0.804 0.595 0.812 0.500 CB 1.544 17 residues pruned to eliminate duplicates Z: 20 21.073 2.066 0.780 0.507 0.842 0.316 CB 1.551 20 residues pruned to eliminate duplicates Z: 12 6.078 1.801 0.283 0.427 0.636 0.636 CB 1.344 12 residues pruned to eliminate duplicates Z: 14 8.049 1.866 0.719 0.285 0.769 0.462 CB 1.153 14 residues pruned to eliminate duplicates Z: 14 12.095 1.968 0.765 0.476 0.846 0.769 CB 1.169 14 residues pruned to eliminate duplicates Z: 28 36.351 2.314 0.789 0.692 0.926 0.815 CA 1.532 28 residues pruned to eliminate duplicates Z: 44 42.835 2.386 0.871 0.492 0.884 0.628 CA 1.669 44 residues pruned to eliminate duplicates Z: 11 24.860 2.213 1.190 0.662 0.900 0.300 CA 1.551 11 residues pruned to eliminate duplicates Z: 45 43.798 2.391 0.905 0.538 0.909 0.614 CB 1.537 45 residues pruned to eliminate duplicates Z: 13 29.940 2.333 1.234 0.674 0.917 0.250 CB 1.541 13 residues pruned to eliminate duplicates Z: 43 44.108 2.409 0.891 0.489 0.881 0.476 CB 1.714 43 residues pruned to eliminate duplicates Z: 31 42.419 2.323 1.126 0.583 0.867 0.633 CB 1.671 31 residues pruned to eliminate duplicates Z: 42 47.932 2.402 0.969 0.544 0.902 0.585 CB 1.680 42 residues pruned to eliminate duplicates Z: 25 19.080 2.131 0.993 0.397 0.750 0.208 CB 1.362 25 residues pruned to eliminate duplicates Z: 30 43.583 2.352 1.173 0.594 0.897 0.655 CB 1.614 30 residues pruned to eliminate duplicates Z: 43 43.725 2.376 0.857 0.525 0.881 0.667 CB 1.693 43 residues pruned to eliminate duplicates Z: 42 50.975 2.403 1.035 0.543 0.927 0.610 CB 1.684 42 residues pruned to eliminate duplicates Z: 42 47.562 2.402 0.984 0.544 0.902 0.585 CB 1.655 42 residues pruned to eliminate duplicates Z: 19 27.899 2.264 1.148 0.538 0.778 0.611 CB 1.675 19 residues pruned to eliminate duplicates Z: 28 44.386 2.393 1.205 0.641 0.852 0.630 CB 1.665 28 residues pruned to eliminate duplicates Z: 29 39.647 2.415 0.880 0.513 0.964 0.714 CB 1.689 29 residues pruned to eliminate duplicates Z: 40 43.956 2.363 0.815 0.533 0.923 0.615 CB 1.721 40 residues pruned to eliminate duplicates Z: 42 50.932 2.405 1.105 0.524 0.927 0.683 CB 1.656 42 residues pruned to eliminate duplicates Z: 26 39.010 2.351 0.911 0.622 0.880 0.760 CA 1.758 26 residues pruned to eliminate duplicates Z: 28 43.764 2.388 1.141 0.659 0.852 0.704 CB 1.669 28 residues pruned to eliminate duplicates Z: 32 30.613 2.339 0.798 0.455 0.839 0.677 CB 1.632 32 residues pruned to eliminate duplicates Z: 43 49.757 2.387 1.046 0.522 0.929 0.667 CB 1.656 43 residues pruned to eliminate duplicates Z: 40 43.556 2.402 0.828 0.547 0.897 0.744 CB 1.690 40 residues pruned to eliminate duplicates Z: 42 46.759 2.397 0.972 0.537 0.927 0.707 CB 1.608 42 residues pruned to eliminate duplicates Z: 43 53.419 2.438 1.167 0.527 0.881 0.643 CB 1.725 43 residues pruned to eliminate duplicates Z: 38 50.286 2.445 1.156 0.553 0.946 0.622 CB 1.573 38 residues pruned to eliminate duplicates Z: 44 48.956 2.401 0.975 0.522 0.930 0.581 CB 1.656 44 residues pruned to eliminate duplicates Z: 43 49.979 2.362 1.095 0.536 0.976 0.452 CB 1.542 42 residues pruned to eliminate duplicates Z: 6 8.709 1.966 0.810 0.349 0.800 0.600 CA 1.611 6 residues pruned to eliminate duplicates Z: 30 41.141 2.378 1.103 0.538 0.931 0.552 CB 1.581 30 residues pruned to eliminate duplicates Z: 16 22.362 2.421 0.750 0.358 0.933 0.467 CB 1.701 16 residues pruned to eliminate duplicates Z: 39 37.762 2.324 0.896 0.438 0.842 0.500 CA 1.760 40 residues pruned to eliminate duplicates Z: 7 5.468 1.884 0.768 0.306 0.667 0.500 CA 1.246 7 residues pruned to eliminate duplicates Z: 17 20.014 2.370 0.686 0.333 0.875 0.562 CB 1.717 17 residues pruned to eliminate duplicates Z: 41 47.165 2.400 0.961 0.525 0.875 0.475 CB 1.766 41 residues pruned to eliminate duplicates Z: 21 19.738 2.220 0.735 0.332 0.800 0.250 CB 1.722 21 residues pruned to eliminate duplicates Z: 26 43.737 2.358 1.086 0.491 0.960 0.440 CB 1.869 25 residues pruned to eliminate duplicates Z: 6 5.244 1.555 1.017 0.267 0.800 0.600 CA 1.218 14 residues pruned to eliminate duplicates Z: 7 8.576 1.726 0.538 0.446 1.000 0.333 O 1.395 7 residues pruned to eliminate duplicates Z: 13 15.580 2.133 0.657 0.283 0.917 0.750 N 1.772 13 residues pruned to eliminate duplicates Z: 18 15.589 2.151 0.665 0.421 0.882 0.529 CB 1.299 18 residues pruned to eliminate duplicates Z: 11 11.675 2.040 0.876 0.433 0.800 0.700 CB 1.293 11 residues pruned to eliminate duplicates Z: 28 33.399 2.157 1.099 0.473 0.889 0.556 CB 1.641 28 residues pruned to eliminate duplicates Z: 8 18.518 2.419 0.892 0.463 1.000 1.000 CA 1.588 8 residues pruned to eliminate duplicates Z: 11 12.813 2.218 0.603 0.391 0.800 0.700 CB 1.599 11 residues pruned to eliminate duplicates Z: 36 27.809 2.154 1.024 0.437 0.800 0.657 CB 1.439 36 residues pruned to eliminate duplicates Z: 22 11.428 2.152 0.411 0.348 0.762 0.476 CB 1.270 22 residues pruned to eliminate duplicates Z: 95 57.269 2.261 0.917 0.458 0.862 0.585 CB 1.651 102 residues pruned to eliminate duplicates Z: 6 6.429 1.672 0.373 0.440 1.000 0.400 CA 1.333 6 residues pruned to eliminate duplicates Z: 30 14.476 2.082 0.500 0.251 0.759 0.414 CB 1.510 30 residues pruned to eliminate duplicates Z: 28 29.499 2.165 0.840 0.432 0.852 0.556 CA 1.795 28 residues pruned to eliminate duplicates Z: 24 33.268 2.301 1.020 0.414 0.913 0.522 CB 1.789 24 residues pruned to eliminate duplicates Z: 112 77.927 2.374 1.000 0.492 0.883 0.532 CB 1.778 112 residues pruned to eliminate duplicates Z: 33 34.721 2.333 1.038 0.438 0.875 0.688 CB 1.572 33 residues pruned to eliminate duplicates Z: 28 28.816 2.242 0.937 0.363 0.889 0.481 CB 1.665 28 residues pruned to eliminate duplicates Z: 27 30.717 2.202 1.005 0.424 0.885 0.577 CB 1.669 27 residues pruned to eliminate duplicates Z: 23 24.126 2.140 1.084 0.420 0.773 0.636 CA 1.622 23 residues pruned to eliminate duplicates Z: 22 27.378 2.190 1.103 0.455 0.857 0.619 CB 1.585 22 residues pruned to eliminate duplicates Z: 24 29.386 2.287 1.046 0.424 0.826 0.522 CB 1.714 24 residues pruned to eliminate duplicates Z: 21 33.984 2.305 1.155 0.467 0.900 0.600 CB 1.758 21 residues pruned to eliminate duplicates Z: 35 28.493 2.226 1.002 0.360 0.853 0.412 CB 1.495 35 residues pruned to eliminate duplicates Z: 26 28.821 2.196 1.102 0.419 0.880 0.560 CB 1.544 26 residues pruned to eliminate duplicates Z: 85 62.989 2.372 0.963 0.472 0.881 0.536 CB 1.723 85 residues pruned to eliminate duplicates Z: 26 28.966 2.246 1.004 0.441 0.880 0.560 CB 1.553 26 residues pruned to eliminate duplicates Z: 28 24.241 2.161 0.999 0.406 0.815 0.593 CB 1.463 28 residues pruned to eliminate duplicates Z: 28 30.302 2.187 1.002 0.415 0.852 0.481 CB 1.709 28 residues pruned to eliminate duplicates Z: 24 11.453 2.008 0.699 0.289 0.783 0.348 CB 1.133 24 residues pruned to eliminate duplicates Z: 22 30.738 2.281 1.034 0.427 0.905 0.571 CB 1.725 22 residues pruned to eliminate duplicates Z: 25 29.097 2.302 0.991 0.412 0.875 0.542 CB 1.623 25 residues pruned to eliminate duplicates Z: 30 23.471 2.190 0.978 0.393 0.793 0.379 CB 1.421 30 residues pruned to eliminate duplicates Z: 22 30.011 2.252 1.025 0.537 0.857 0.571 CB 1.615 22 residues pruned to eliminate duplicates Z: 29 29.914 2.269 1.217 0.424 0.786 0.536 CB 1.548 29 residues pruned to eliminate duplicates Z: 109 69.720 2.345 0.918 0.487 0.889 0.556 CB 1.700 109 residues pruned to eliminate duplicates Z: 57 54.558 2.372 0.992 0.473 0.911 0.661 CB 1.742 57 residues pruned to eliminate duplicates Z: 37 61.886 2.493 1.093 0.581 0.972 0.694 CB 1.881 37 residues pruned to eliminate duplicates Z: 15 20.384 2.221 0.984 0.419 0.857 0.429 CA 1.570 15 residues pruned to eliminate duplicates Z: 42 55.357 2.373 1.087 0.546 0.927 0.707 CB 1.801 42 residues pruned to eliminate duplicates Z: 64 61.422 2.399 0.970 0.501 0.889 0.540 CB 1.841 64 residues pruned to eliminate duplicates Z: 125 77.768 2.354 0.984 0.506 0.887 0.556 CB 1.675 125 residues pruned to eliminate duplicates Z: 64 60.488 2.361 0.984 0.478 0.921 0.571 CB 1.807 64 residues pruned to eliminate duplicates Z: 85 65.699 2.387 0.943 0.536 0.881 0.595 CB 1.693 85 residues pruned to eliminate duplicates Z: 25 43.193 2.432 0.936 0.663 0.917 0.708 CB 1.757 25 residues pruned to eliminate duplicates Z: 114 67.216 2.326 1.006 0.473 0.841 0.504 CB 1.657 114 residues pruned to eliminate duplicates Z: 57 48.218 2.366 1.004 0.477 0.821 0.464 CB 1.694 57 residues pruned to eliminate duplicates Z: 44 41.445 2.309 1.000 0.445 0.837 0.395 CB 1.731 44 residues pruned to eliminate duplicates Z: 56 61.731 2.360 1.180 0.536 0.891 0.600 CB 1.753 56 residues pruned to eliminate duplicates Z: 36 59.520 2.487 1.184 0.541 0.971 0.571 CA 1.831 36 residues pruned to eliminate duplicates Z: 54 54.329 2.350 0.999 0.479 0.906 0.547 CB 1.792 54 residues pruned to eliminate duplicates Z: 43 48.588 2.382 1.094 0.509 0.905 0.667 CB 1.647 43 residues pruned to eliminate duplicates Z: 37 52.507 2.470 1.050 0.518 0.944 0.583 CB 1.797 37 residues pruned to eliminate duplicates Z: 65 55.416 2.387 1.041 0.398 0.922 0.531 CB 1.717 65 residues pruned to eliminate duplicates Z: 64 50.439 2.290 1.195 0.473 0.810 0.492 CB 1.605 64 residues pruned to eliminate duplicates Z: 44 47.211 2.395 1.096 0.486 0.860 0.535 CB 1.691 44 residues pruned to eliminate duplicates Z: 38 58.420 2.407 1.172 0.557 0.946 0.622 CB 1.837 38 residues pruned to eliminate duplicates Z: 38 66.309 2.464 1.210 0.575 0.973 0.595 CA 1.914 38 residues pruned to eliminate duplicates Z: 63 61.849 2.397 1.028 0.495 0.887 0.484 CB 1.830 63 residues pruned to eliminate duplicates Z: 48 46.685 2.321 1.088 0.406 0.872 0.426 CB 1.778 48 residues pruned to eliminate duplicates Z: 108 81.111 2.397 1.050 0.538 0.888 0.533 CB 1.731 108 residues pruned to eliminate duplicates Z: 38 62.557 2.427 1.240 0.562 0.973 0.514 CB 1.831 38 residues pruned to eliminate duplicates Z: 38 48.995 2.431 1.018 0.531 0.892 0.595 CB 1.785 38 residues pruned to eliminate duplicates Z: 38 53.867 2.437 1.125 0.521 0.946 0.541 CB 1.771 38 residues pruned to eliminate duplicates Z: 63 53.405 2.320 1.115 0.468 0.855 0.435 CB 1.670 63 residues pruned to eliminate duplicates Z: 108 78.583 2.402 0.980 0.521 0.888 0.523 CB 1.761 108 residues pruned to eliminate duplicates Z: 125 81.133 2.364 1.049 0.524 0.871 0.524 CB 1.686 125 residues pruned to eliminate duplicates Z: 91 65.941 2.350 1.013 0.487 0.867 0.467 CB 1.718 91 residues pruned to eliminate duplicates Z: 50 63.438 2.400 1.270 0.540 0.918 0.510 CB 1.742 50 residues pruned to eliminate duplicates Z: 70 68.948 2.369 1.050 0.531 0.913 0.565 CA 1.817 70 residues pruned to eliminate duplicates Z: 79 63.188 2.324 1.175 0.460 0.897 0.500 CB 1.643 79 residues pruned to eliminate duplicates Z: 50 66.201 2.420 1.264 0.511 0.959 0.469 CB 1.781 50 residues pruned to eliminate duplicates Z: 55 56.030 2.350 1.186 0.483 0.907 0.500 CB 1.665 55 residues pruned to eliminate duplicates Z: 66 57.257 2.298 1.256 0.449 0.892 0.462 CB 1.618 66 residues pruned to eliminate duplicates Z: 59 73.513 2.454 1.234 0.543 0.914 0.483 CB 1.847 59 residues pruned to eliminate duplicates Z: 81 77.986 2.398 1.119 0.529 0.938 0.538 CB 1.779 81 residues pruned to eliminate duplicates Z: 54 46.436 2.280 0.795 0.551 0.868 0.585 CB 1.707 54 residues pruned to eliminate duplicates Z: 83 66.369 2.346 1.036 0.498 0.890 0.488 CB 1.728 83 residues pruned to eliminate duplicates Z: 84 86.635 2.441 1.144 0.591 0.940 0.614 CB 1.772 84 residues pruned to eliminate duplicates Z: 29 42.180 2.333 1.050 0.538 0.893 0.500 CB 1.798 29 residues pruned to eliminate duplicates Z: 47 44.783 2.329 1.097 0.432 0.826 0.457 CB 1.756 47 residues pruned to eliminate duplicates Z: 64 67.059 2.380 1.169 0.528 0.921 0.603 CB 1.729 64 residues pruned to eliminate duplicates Z: 94 66.463 2.341 1.122 0.502 0.860 0.538 CB 1.611 94 residues pruned to eliminate duplicates Z: 101 74.682 2.357 1.098 0.506 0.890 0.560 CB 1.688 101 residues pruned to eliminate duplicates Z: 84 90.931 2.415 1.182 0.593 0.964 0.602 CB 1.798 84 residues pruned to eliminate duplicates Z: 29 42.892 2.296 1.036 0.570 0.929 0.536 CA 1.746 29 residues pruned to eliminate duplicates Z: 62 63.463 2.389 1.112 0.515 0.869 0.557 CB 1.827 62 residues pruned to eliminate duplicates Z: 71 78.044 2.376 1.219 0.535 0.971 0.571 CB 1.760 71 residues pruned to eliminate duplicates Z: 68 70.856 2.405 1.249 0.512 0.910 0.537 CB 1.737 68 residues pruned to eliminate duplicates Z: 102 72.043 2.350 1.080 0.502 0.871 0.574 CB 1.680 102 residues pruned to eliminate duplicates Z: 70 70.621 2.388 1.149 0.510 0.928 0.565 CB 1.769 70 residues pruned to eliminate duplicates Z: 97 76.963 2.321 1.040 0.525 0.938 0.635 CB 1.727 97 residues pruned to eliminate duplicates Z: 66 64.157 2.399 1.188 0.503 0.862 0.508 CB 1.754 66 residues pruned to eliminate duplicates Z: 72 66.971 2.355 1.206 0.478 0.887 0.563 CB 1.762 72 residues pruned to eliminate duplicates Z: 90 73.430 2.348 1.212 0.500 0.876 0.573 CB 1.711 90 residues pruned to eliminate duplicates Z: 100 93.126 2.403 1.197 0.576 0.929 0.576 CB 1.773 100 residues pruned to eliminate duplicates Z: 119 79.954 2.334 1.067 0.514 0.881 0.568 CB 1.707 119 residues pruned to eliminate duplicates Z: 102 87.727 2.388 1.141 0.559 0.921 0.505 CB 1.751 102 residues pruned to eliminate duplicates Z: 113 81.859 2.378 1.026 0.512 0.902 0.491 CB 1.759 113 residues pruned to eliminate duplicates Z: 40 52.518 2.362 1.121 0.583 0.923 0.590 CB 1.679 40 residues pruned to eliminate duplicates Z: 119 89.568 2.372 1.176 0.534 0.907 0.517 CB 1.704 119 residues pruned to eliminate duplicates Z: 75 71.592 2.382 1.092 0.544 0.919 0.581 CB 1.740 75 residues pruned to eliminate duplicates Z: 51 69.815 2.400 1.221 0.619 0.920 0.660 CA 1.799 51 residues pruned to eliminate duplicates Z: 108 82.707 2.326 1.133 0.548 0.897 0.533 CB 1.714 108 residues pruned to eliminate duplicates Z: 106 88.886 2.409 1.129 0.543 0.924 0.610 CB 1.756 106 residues pruned to eliminate duplicates Z: 108 82.220 2.374 1.159 0.507 0.897 0.617 CB 1.717 108 residues pruned to eliminate duplicates Z: 25 45.178 2.342 1.243 0.629 0.875 0.750 CB 1.777 25 residues pruned to eliminate duplicates Z: 24 42.205 2.337 1.072 0.655 0.913 0.739 CB 1.723 24 residues pruned to eliminate duplicates Z: 86 79.937 2.392 1.164 0.562 0.882 0.553 CA 1.788 86 residues pruned to eliminate duplicates Z: 81 67.442 2.330 1.087 0.540 0.887 0.575 CB 1.680 81 residues pruned to eliminate duplicates Z: 24 53.123 2.365 1.341 0.656 1.000 0.696 CB 1.731 24 residues pruned to eliminate duplicates Z: 85 81.847 2.400 1.258 0.563 0.893 0.560 CB 1.737 85 residues pruned to eliminate duplicates Z: 27 33.707 2.192 1.129 0.563 0.808 0.615 CB 1.650 27 residues pruned to eliminate duplicates Z: 95 76.423 2.313 1.161 0.538 0.915 0.543 CB 1.661 95 residues pruned to eliminate duplicates Z: 45 47.978 2.350 1.044 0.528 0.864 0.523 CB 1.696 45 residues pruned to eliminate duplicates Z: 47 48.951 2.316 1.096 0.515 0.870 0.587 CB 1.684 47 residues pruned to eliminate duplicates Z: 24 43.104 2.377 1.068 0.673 0.870 0.696 CB 1.793 24 residues pruned to eliminate duplicates Z: 57 57.558 2.325 1.129 0.537 0.875 0.536 CB 1.713 57 residues pruned to eliminate duplicates Z: 99 74.538 2.329 1.122 0.514 0.908 0.541 CB 1.655 99 residues pruned to eliminate duplicates Z: 81 67.906 2.349 1.031 0.512 0.913 0.525 CB 1.724 81 residues pruned to eliminate duplicates Z: 18 23.634 2.310 0.901 0.447 0.882 0.412 CB 1.562 18 residues pruned to eliminate duplicates Z: 7 9.244 2.040 0.637 0.220 1.000 0.833 CA 1.570 7 residues pruned to eliminate duplicates Z: 19 23.114 2.220 0.722 0.499 0.889 0.444 CB 1.604 19 residues pruned to eliminate duplicates Z: 9 8.700 1.999 0.852 0.241 0.750 0.500 CB 1.494 9 residues pruned to eliminate duplicates Z: 19 24.910 2.242 0.748 0.568 0.889 0.333 CB 1.578 19 residues pruned to eliminate duplicates Z: 17 34.628 2.328 1.017 0.572 1.000 0.438 CB 1.719 17 residues pruned to eliminate duplicates Z: 18 22.358 2.204 0.758 0.538 0.882 0.412 CB 1.529 18 residues pruned to eliminate duplicates Z: 68 55.581 2.279 0.985 0.556 0.866 0.597 CB 1.642 68 residues pruned to eliminate duplicates Z: 19 25.091 2.205 0.966 0.538 0.889 0.389 CB 1.478 19 residues pruned to eliminate duplicates Z: 39 49.182 2.365 1.075 0.607 0.868 0.579 CB 1.691 39 residues pruned to eliminate duplicates Z: 71 63.625 2.320 1.205 0.518 0.914 0.429 CB 1.597 71 residues pruned to eliminate duplicates Z: 16 26.765 2.150 1.041 0.564 0.867 0.400 CB 1.708 16 residues pruned to eliminate duplicates Z: 17 26.702 2.114 0.908 0.614 0.938 0.562 CA 1.585 17 residues pruned to eliminate duplicates Z: 18 26.419 2.065 1.039 0.486 0.882 0.529 CB 1.750 18 residues pruned to eliminate duplicates Z: 22 29.187 2.092 1.059 0.513 0.857 0.667 CA 1.703 22 residues pruned to eliminate duplicates Z: 29 23.512 2.059 0.855 0.440 0.786 0.429 CA 1.576 29 residues pruned to eliminate duplicates Z: 16 8.942 1.938 0.531 0.337 0.667 0.200 CB 1.394 16 residues pruned to eliminate duplicates Z: 25 20.268 2.211 0.882 0.345 0.750 0.542 CB 1.568 25 residues pruned to eliminate duplicates Z: 10 12.746 2.252 0.427 0.360 0.889 0.333 CB 1.730 10 residues pruned to eliminate duplicates Z: 12 18.555 2.295 0.612 0.406 1.000 0.545 CB 1.670 12 residues pruned to eliminate duplicates Z: 13 11.328 2.165 0.687 0.250 0.750 0.417 CB 1.591 13 residues pruned to eliminate duplicates Z: 13 19.898 2.219 0.649 0.460 1.000 0.750 CB 1.636 13 residues pruned to eliminate duplicates Z: 30 26.522 2.264 0.790 0.411 0.862 0.552 CB 1.547 30 residues pruned to eliminate duplicates Z: 21 10.543 1.982 0.617 0.276 0.800 0.350 CB 1.185 21 residues pruned to eliminate duplicates Z: 21 25.355 2.376 0.845 0.333 0.900 0.550 CB 1.725 21 residues pruned to eliminate duplicates Z: 17 17.832 2.124 0.810 0.379 0.812 0.375 CA 1.624 18 residues pruned to eliminate duplicates Z: 6 4.091 1.640 0.450 0.489 0.800 0.400 CA 0.973 6 residues pruned to eliminate duplicates Z: 17 19.204 2.290 0.868 0.405 0.812 0.438 CB 1.527 17 residues pruned to eliminate duplicates Z: 16 21.935 2.330 0.972 0.381 0.867 0.467 CB 1.613 16 residues pruned to eliminate duplicates Z: 6 3.989 1.973 0.640 0.288 0.800 0.800 CA 0.875 Z: 6 8.287 1.919 1.210 0.351 0.800 0.600 N 1.284 5 residues pruned to eliminate duplicates Z: 10 7.525 1.423 1.417 0.346 0.778 0.333 O 1.108 17 residues pruned to eliminate duplicates Z: 16 13.676 2.228 0.967 0.396 0.800 0.400 CB 1.124 16 residues pruned to eliminate duplicates Z: 21 19.572 2.121 1.183 0.353 0.800 0.600 CB 1.384 21 residues pruned to eliminate duplicates Z: 20 16.190 2.048 0.850 0.355 0.789 0.474 CB 1.452 20 residues pruned to eliminate duplicates Z: 21 19.172 2.193 0.816 0.449 0.800 0.550 CB 1.417 22 residues pruned to eliminate duplicates Z: 6 4.474 1.723 0.507 0.260 0.800 0.600 CB 1.268 6 residues pruned to eliminate duplicates Z: 11 16.236 2.298 0.657 0.511 0.900 0.700 CB 1.482 11 residues pruned to eliminate duplicates Z: 39 33.060 2.267 0.814 0.440 0.895 0.526 CB 1.551 39 residues pruned to eliminate duplicates Z: 12 15.979 2.265 0.553 0.541 0.909 0.727 CB 1.447 12 residues pruned to eliminate duplicates Z: 39 29.252 2.181 0.776 0.473 0.816 0.526 CB 1.543 38 residues pruned to eliminate duplicates Z: 7 5.112 1.742 0.693 0.370 0.833 0.500 CA 0.976 7 residues pruned to eliminate duplicates Z: 18 18.437 2.234 0.739 0.477 0.882 0.588 CB 1.336 18 residues pruned to eliminate duplicates Z: 10 3.399 1.499 0.270 0.351 0.778 0.222 CB 0.899 10 residues pruned to eliminate duplicates Z: 18 16.084 2.242 0.447 0.459 0.941 0.588 CB 1.333 18 residues pruned to eliminate duplicates Z: 7 4.170 1.547 0.502 0.371 0.833 0.667 CA 1.009 7 residues pruned to eliminate duplicates Z: 24 15.283 2.189 0.611 0.388 0.870 0.478 CB 1.170 24 residues pruned to eliminate duplicates Z: 16 15.969 2.278 0.601 0.488 0.933 0.600 CB 1.226 17 residues pruned to eliminate duplicates Z: 7 3.299 1.692 0.841 0.298 0.500 0.167 CB 1.084 7 residues pruned to eliminate duplicates Z: 39 34.800 2.287 0.930 0.450 0.868 0.605 CB 1.550 39 residues pruned to eliminate duplicates Z: 39 36.310 2.236 0.944 0.451 0.921 0.579 CB 1.547 39 residues pruned to eliminate duplicates Z: 21 34.487 2.290 1.049 0.504 0.850 0.650 CB 1.925 21 residues pruned to eliminate duplicates Z: 46 39.008 2.258 0.881 0.446 0.867 0.578 CB 1.669 46 residues pruned to eliminate duplicates Z: 38 36.759 2.288 0.956 0.468 0.865 0.568 CB 1.613 38 residues pruned to eliminate duplicates Z: 26 30.490 2.226 1.218 0.361 0.800 0.400 CA 1.793 26 residues pruned to eliminate duplicates Z: 21 31.619 2.326 1.194 0.411 0.850 0.500 CB 1.789 21 residues pruned to eliminate duplicates Z: 22 29.752 2.281 1.170 0.474 0.857 0.667 CB 1.571 22 residues pruned to eliminate duplicates Z: 28 20.850 2.149 1.087 0.344 0.667 0.444 CB 1.590 28 residues pruned to eliminate duplicates Z: 21 36.217 2.340 1.246 0.439 0.900 0.600 CB 1.824 21 residues pruned to eliminate duplicates Z: 15 14.621 1.891 0.977 0.381 0.786 0.429 CA 1.509 15 residues pruned to eliminate duplicates Z: 24 30.569 2.276 0.832 0.417 0.913 0.435 CA 1.826 24 residues pruned to eliminate duplicates Z: 21 38.135 2.343 1.168 0.481 0.950 0.600 CB 1.801 21 residues pruned to eliminate duplicates Z: 10 10.710 2.063 0.769 0.350 0.667 0.111 CB 1.727 10 residues pruned to eliminate duplicates Z: 20 41.300 2.396 1.343 0.466 0.947 0.579 CA 1.846 20 residues pruned to eliminate duplicates Z: 23 31.059 2.195 1.341 0.471 0.818 0.591 CB 1.621 23 residues pruned to eliminate duplicates Z: 62 48.048 2.343 0.947 0.468 0.869 0.574 CB 1.603 62 residues pruned to eliminate duplicates Z: 38 29.472 2.054 1.045 0.426 0.838 0.432 CB 1.486 38 residues pruned to eliminate duplicates Z: 22 25.325 2.232 0.787 0.487 0.857 0.571 CB 1.637 22 residues pruned to eliminate duplicates Z: 56 40.902 2.300 0.913 0.488 0.836 0.600 CB 1.517 56 residues pruned to eliminate duplicates Z: 25 25.204 2.111 0.832 0.584 0.833 0.500 CB 1.473 25 residues pruned to eliminate duplicates Z: 48 37.394 2.292 0.819 0.504 0.830 0.447 CB 1.570 48 residues pruned to eliminate duplicates Z: 23 26.909 2.178 0.854 0.640 0.864 0.591 CB 1.443 23 residues pruned to eliminate duplicates Z: 97 52.271 2.233 1.037 0.434 0.781 0.406 CB 1.609 97 residues pruned to eliminate duplicates Z: 70 48.984 2.309 0.925 0.493 0.826 0.493 CB 1.617 70 residues pruned to eliminate duplicates Z: 50 40.112 2.312 0.920 0.529 0.857 0.510 CB 1.463 50 residues pruned to eliminate duplicates Z: 26 21.730 2.277 0.821 0.554 0.760 0.520 CB 1.308 26 residues pruned to eliminate duplicates Z: 28 22.416 2.223 0.735 0.548 0.852 0.593 CB 1.253 28 residues pruned to eliminate duplicates Z: 18 25.500 2.352 0.723 0.711 0.882 0.471 CB 1.428 18 residues pruned to eliminate duplicates Z: 85 63.822 2.325 1.064 0.497 0.893 0.583 CB 1.631 85 residues pruned to eliminate duplicates Z: 98 62.931 2.317 0.995 0.492 0.866 0.505 CB 1.609 98 residues pruned to eliminate duplicates Z: 43 45.699 2.330 1.079 0.559 0.833 0.548 CB 1.651 43 residues pruned to eliminate duplicates Z: 84 56.638 2.295 1.007 0.483 0.867 0.482 CB 1.584 84 residues pruned to eliminate duplicates Z: 41 44.703 2.350 1.028 0.512 0.950 0.600 CB 1.544 41 residues pruned to eliminate duplicates Z: 57 49.329 2.276 0.967 0.527 0.893 0.536 CB 1.605 57 residues pruned to eliminate duplicates Z: 71 45.154 2.303 0.888 0.411 0.843 0.500 CB 1.616 71 residues pruned to eliminate duplicates Z: 65 51.035 2.306 0.983 0.483 0.906 0.500 CB 1.565 65 residues pruned to eliminate duplicates Z: 78 42.223 2.173 0.857 0.450 0.831 0.390 CB 1.509 78 residues pruned to eliminate duplicates Z: 67 52.439 2.247 1.053 0.529 0.894 0.439 CB 1.521 67 residues pruned to eliminate duplicates Z: 33 34.311 2.312 0.992 0.465 0.844 0.469 CB 1.617 33 residues pruned to eliminate duplicates Z: 40 45.920 2.393 1.057 0.529 0.897 0.487 CB 1.617 40 residues pruned to eliminate duplicates Z: 56 50.369 2.336 0.932 0.515 0.909 0.618 CB 1.631 56 residues pruned to eliminate duplicates Z: 40 45.375 2.374 1.095 0.516 0.897 0.615 CB 1.603 40 residues pruned to eliminate duplicates Z: 52 50.186 2.322 0.998 0.527 0.882 0.510 CB 1.672 52 residues pruned to eliminate duplicates Z: 54 43.436 2.247 1.024 0.447 0.906 0.566 CB 1.530 54 residues pruned to eliminate duplicates Z: 59 41.996 2.240 0.989 0.498 0.845 0.603 CB 1.467 59 residues pruned to eliminate duplicates Z: 61 52.521 2.286 0.973 0.538 0.917 0.517 CB 1.580 61 residues pruned to eliminate duplicates Z: 22 33.433 2.371 1.157 0.415 0.857 0.619 CB 1.819 22 residues pruned to eliminate duplicates Z: 54 46.085 2.297 1.014 0.480 0.887 0.434 CB 1.574 54 residues pruned to eliminate duplicates Z: 105 57.235 2.240 0.865 0.481 0.856 0.558 CB 1.600 105 residues pruned to eliminate duplicates Z: 54 47.073 2.315 0.969 0.477 0.906 0.509 CB 1.603 54 residues pruned to eliminate duplicates Z: 88 59.733 2.243 1.057 0.507 0.897 0.494 CB 1.536 88 residues pruned to eliminate duplicates Z: 63 47.636 2.234 0.924 0.507 0.903 0.516 CB 1.547 63 residues pruned to eliminate duplicates Z: 76 51.969 2.269 0.992 0.439 0.867 0.360 CB 1.632 76 residues pruned to eliminate duplicates Z: 66 46.563 2.239 0.996 0.472 0.846 0.523 CB 1.572 66 residues pruned to eliminate duplicates Z: 47 46.538 2.291 1.061 0.489 0.870 0.565 CB 1.690 47 residues pruned to eliminate duplicates Z: 89 62.213 2.306 0.974 0.509 0.909 0.557 CB 1.588 89 residues pruned to eliminate duplicates Z: 47 24.785 2.048 0.816 0.296 0.804 0.478 CB 1.535 47 residues pruned to eliminate duplicates Z: 43 48.018 2.290 1.064 0.486 0.952 0.571 CB 1.670 43 residues pruned to eliminate duplicates Z: 76 54.557 2.228 0.995 0.500 0.907 0.520 CB 1.562 76 residues pruned to eliminate duplicates Z: 66 57.583 2.261 1.083 0.522 0.892 0.538 CB 1.664 66 residues pruned to eliminate duplicates Z: 47 45.328 2.231 1.049 0.483 0.913 0.435 CB 1.629 47 residues pruned to eliminate duplicates Z: 25 28.558 2.199 0.981 0.553 0.875 0.542 CB 1.451 25 residues pruned to eliminate duplicates Z: 69 57.133 2.254 1.073 0.536 0.926 0.574 CB 1.546 69 residues pruned to eliminate duplicates Z: 49 45.442 2.235 0.955 0.518 0.896 0.583 CB 1.645 49 residues pruned to eliminate duplicates Z: 59 58.973 2.304 1.142 0.545 0.931 0.448 CB 1.614 59 residues pruned to eliminate duplicates Z: 23 35.187 2.237 1.153 0.557 0.955 0.591 CB 1.544 23 residues pruned to eliminate duplicates Z: 83 68.967 2.362 1.116 0.511 0.902 0.573 CB 1.670 83 residues pruned to eliminate duplicates Z: 67 59.650 2.249 1.135 0.547 0.970 0.561 CB 1.506 67 residues pruned to eliminate duplicates Z: 85 65.408 2.313 1.111 0.525 0.893 0.524 CB 1.597 85 residues pruned to eliminate duplicates Z: 58 54.759 2.286 1.106 0.533 0.930 0.526 CB 1.569 58 residues pruned to eliminate duplicates Z: 66 53.319 2.254 1.079 0.500 0.877 0.554 CB 1.609 66 residues pruned to eliminate duplicates Z: 86 75.988 2.314 1.143 0.557 0.953 0.635 CB 1.651 86 residues pruned to eliminate duplicates Z: 42 54.304 2.325 1.192 0.517 0.951 0.610 CB 1.720 42 residues pruned to eliminate duplicates Z: 85 61.903 2.299 0.993 0.511 0.917 0.524 CB 1.590 85 residues pruned to eliminate duplicates Z: 53 49.151 2.272 0.992 0.566 0.865 0.519 CB 1.631 53 residues pruned to eliminate duplicates Z: 95 69.813 2.234 1.118 0.536 0.915 0.532 CB 1.605 95 residues pruned to eliminate duplicates Z: 29 38.708 2.394 0.957 0.595 0.821 0.464 CB 1.736 29 residues pruned to eliminate duplicates Z: 23 41.048 2.416 1.026 0.681 0.864 0.682 CB 1.753 23 residues pruned to eliminate duplicates Z: 42 45.707 2.327 0.894 0.526 0.902 0.561 CA 1.749 42 residues pruned to eliminate duplicates Z: 29 38.507 2.354 0.937 0.573 0.857 0.643 CB 1.736 29 residues pruned to eliminate duplicates Z: 23 37.427 2.410 0.927 0.679 0.864 0.545 CB 1.688 23 residues pruned to eliminate duplicates Z: 26 38.161 2.253 1.045 0.596 0.960 0.600 CB 1.574 26 residues pruned to eliminate duplicates Z: 22 51.296 2.460 1.146 0.693 0.952 0.714 CB 1.866 22 residues pruned to eliminate duplicates Z: 29 40.476 2.360 0.979 0.561 0.929 0.571 CB 1.662 29 residues pruned to eliminate duplicates Z: 23 43.875 2.400 1.044 0.674 0.909 0.773 CB 1.787 23 residues pruned to eliminate duplicates Z: 28 42.998 2.407 1.110 0.565 0.889 0.704 CB 1.721 28 residues pruned to eliminate duplicates Z: 38 47.119 2.397 0.975 0.551 0.865 0.568 CB 1.801 38 residues pruned to eliminate duplicates Z: 24 41.370 2.356 1.019 0.658 0.913 0.696 CB 1.715 24 residues pruned to eliminate duplicates Z: 41 45.765 2.340 0.998 0.561 0.850 0.600 CB 1.716 41 residues pruned to eliminate duplicates Z: 30 39.851 2.315 0.983 0.534 0.897 0.552 CB 1.739 30 residues pruned to eliminate duplicates Z: 61 39.484 2.207 0.833 0.501 0.817 0.517 CB 1.541 61 residues pruned to eliminate duplicates Z: 40 50.148 2.391 1.032 0.578 0.872 0.641 CB 1.758 40 residues pruned to eliminate duplicates Z: 25 38.846 2.343 1.046 0.621 0.875 0.708 CB 1.686 25 residues pruned to eliminate duplicates Z: 40 46.851 2.416 1.045 0.570 0.795 0.615 CA 1.786 40 residues pruned to eliminate duplicates Z: 28 41.613 2.357 1.063 0.567 0.889 0.556 CB 1.736 28 residues pruned to eliminate duplicates Z: 23 41.985 2.403 0.891 0.658 0.955 0.818 CA 1.781 23 residues pruned to eliminate duplicates Z: 43 47.438 2.303 1.020 0.545 0.857 0.571 CB 1.757 43 residues pruned to eliminate duplicates Z: 39 54.793 2.404 1.139 0.617 0.868 0.632 CB 1.782 39 residues pruned to eliminate duplicates Z: 41 48.104 2.371 1.040 0.573 0.825 0.550 CB 1.776 41 residues pruned to eliminate duplicates Z: 83 53.410 2.268 0.937 0.469 0.890 0.524 CB 1.556 83 residues pruned to eliminate duplicates Z: 6 4.833 2.018 0.747 0.244 0.600 0.600 CB 1.373 6 residues pruned to eliminate duplicates Z: 27 33.542 2.326 0.888 0.452 0.885 0.308 CB 1.778 36 residues pruned to eliminate duplicates Z: 40 50.479 2.369 0.947 0.589 0.897 0.615 CA 1.794 40 residues pruned to eliminate duplicates Z: 17 25.783 2.345 0.995 0.536 0.812 0.500 CA 1.637 17 residues pruned to eliminate duplicates Z: 17 32.267 2.398 1.097 0.548 0.875 0.438 CA 1.749 17 residues pruned to eliminate duplicates Z: 15 38.274 2.440 1.089 0.589 1.000 0.571 CA 1.843 15 residues pruned to eliminate duplicates Z: 16 30.167 2.377 0.907 0.608 0.867 0.467 CA 1.789 16 residues pruned to eliminate duplicates Z: 12 21.660 2.253 1.046 0.619 0.909 0.455 CA 1.393 12 residues pruned to eliminate duplicates Z: 9 24.600 2.281 1.185 0.711 0.875 0.625 CA 1.648 9 residues pruned to eliminate duplicates Z: 38 55.910 2.383 1.147 0.604 0.919 0.676 CB 1.771 38 residues pruned to eliminate duplicates Z: 16 26.963 2.330 0.834 0.518 0.933 0.467 CA 1.715 16 residues pruned to eliminate duplicates Z: 17 26.025 2.306 0.999 0.475 0.812 0.375 CB 1.782 17 residues pruned to eliminate duplicates Z: 10 19.344 2.293 1.019 0.565 0.778 0.444 CA 1.681 10 residues pruned to eliminate duplicates Z: 43 48.292 2.236 0.979 0.564 0.952 0.524 CB 1.661 43 residues pruned to eliminate duplicates Z: 12 11.546 2.300 0.605 0.373 0.636 0.455 CB 1.698 Z: 6 3.772 2.240 0.861 0.231 0.400 0.000 CA 1.383 6 residues pruned to eliminate duplicates Z: 11 10.323 2.243 0.671 0.350 0.600 0.400 CB 1.708 11 residues pruned to eliminate duplicates Z: 23 20.661 2.276 0.707 0.404 0.818 0.500 CB 1.533 23 residues pruned to eliminate duplicates Z: 26 17.116 2.144 0.643 0.318 0.840 0.520 CB 1.413 38 residues pruned to eliminate duplicates Z: 11 20.006 2.366 0.679 0.413 0.900 0.700 CB 1.938 Z: 6 4.699 1.771 0.917 0.326 0.600 0.400 CA 1.248 Z: 6 8.999 1.814 0.737 0.391 1.000 0.600 CA 1.433 Z: 10 11.740 1.788 0.881 0.395 0.889 0.556 N 1.462 Z: 9 6.050 1.899 0.406 0.383 0.750 0.250 CA 1.209 19 residues pruned to eliminate duplicates Z: 15 21.787 2.294 0.838 0.454 0.857 0.571 CB 1.688 15 residues pruned to eliminate duplicates Z: 14 17.222 2.213 0.785 0.444 0.846 0.615 CB 1.514 14 residues pruned to eliminate duplicates Z: 16 11.332 2.038 0.463 0.320 0.800 0.400 CB 1.497 Z: 13 40.363 2.327 1.145 0.757 1.000 0.583 CB 1.857 13 residues pruned to eliminate duplicates Z: 12 33.568 2.219 1.248 0.925 0.909 0.455 CB 1.566 12 residues pruned to eliminate duplicates Z: 43 42.183 2.417 0.902 0.528 0.881 0.571 CB 1.564 43 residues pruned to eliminate duplicates Z: 44 45.146 2.400 0.906 0.553 0.930 0.628 CB 1.538 44 residues pruned to eliminate duplicates Z: 13 31.693 2.112 1.140 0.859 1.000 0.583 CB 1.489 13 residues pruned to eliminate duplicates Z: 44 40.940 2.381 0.761 0.508 0.953 0.651 CB 1.549 44 residues pruned to eliminate duplicates Z: 21 23.322 2.190 1.120 0.490 0.750 0.450 CB 1.513 21 residues pruned to eliminate duplicates Z: 40 44.043 2.431 0.979 0.506 0.897 0.590 CB 1.624 40 residues pruned to eliminate duplicates Z: 45 37.664 2.364 0.723 0.517 0.932 0.614 CB 1.472 45 residues pruned to eliminate duplicates Z: 45 39.827 2.301 0.814 0.513 0.864 0.523 CB 1.644 45 residues pruned to eliminate duplicates Z: 44 43.431 2.402 0.830 0.525 0.930 0.628 CB 1.580 44 residues pruned to eliminate duplicates Z: 31 31.013 2.394 0.784 0.509 0.900 0.700 CB 1.461 31 residues pruned to eliminate duplicates Z: 14 36.137 2.410 1.023 0.753 1.000 0.846 CB 1.640 14 residues pruned to eliminate duplicates Z: 43 40.754 2.362 0.926 0.483 0.881 0.524 CB 1.596 43 residues pruned to eliminate duplicates Z: 44 37.293 2.392 0.726 0.503 0.884 0.535 CB 1.554 44 residues pruned to eliminate duplicates Z: 44 38.302 2.352 0.746 0.476 0.884 0.558 CB 1.649 44 residues pruned to eliminate duplicates Z: 32 34.964 2.396 0.934 0.490 0.903 0.581 CB 1.515 32 residues pruned to eliminate duplicates Z: 39 43.533 2.437 1.013 0.518 0.895 0.605 CB 1.581 39 residues pruned to eliminate duplicates Z: 37 39.838 2.380 0.859 0.513 0.944 0.667 CB 1.569 37 residues pruned to eliminate duplicates Z: 32 36.715 2.393 1.010 0.522 0.871 0.484 CB 1.541 32 residues pruned to eliminate duplicates Z: 35 28.892 2.272 0.916 0.475 0.853 0.588 CB 1.369 35 residues pruned to eliminate duplicates Z: 32 34.107 2.392 0.944 0.492 0.903 0.581 CB 1.471 33 residues pruned to eliminate duplicates Z: 7 6.745 1.988 0.466 0.466 0.833 0.667 CB 1.174 7 residues pruned to eliminate duplicates Z: 33 30.332 2.366 0.930 0.445 0.844 0.562 CB 1.473 33 residues pruned to eliminate duplicates Z: 18 14.201 2.265 0.607 0.181 0.882 0.471 CB 1.576 18 residues pruned to eliminate duplicates Z: 33 36.135 2.372 1.076 0.485 0.906 0.469 CB 1.453 33 residues pruned to eliminate duplicates Z: 44 48.118 2.381 1.192 0.537 0.907 0.535 CB 1.495 44 residues pruned to eliminate duplicates Z: 40 40.169 2.401 1.115 0.483 0.872 0.462 CB 1.479 40 residues pruned to eliminate duplicates Z: 30 35.949 2.423 1.036 0.528 0.931 0.552 CB 1.413 30 residues pruned to eliminate duplicates Z: 10 11.728 2.091 0.363 0.541 0.889 0.333 CA 1.483 9 residues pruned to eliminate duplicates Z: 7 7.290 1.723 0.381 0.458 1.000 0.500 CA 1.306 Z: 10 7.177 1.591 0.708 0.470 0.889 0.333 CB 1.021 6 residues pruned to eliminate duplicates Z: 8 6.509 1.946 0.505 0.427 0.857 0.429 CB 1.056 8 residues pruned to eliminate duplicates Z: 17 17.665 2.185 0.956 0.515 0.750 0.438 CB 1.357 28 residues pruned to eliminate duplicates Z: 31 29.084 2.273 0.750 0.481 0.900 0.500 CB 1.511 31 residues pruned to eliminate duplicates Z: 24 15.828 2.175 0.738 0.405 0.826 0.348 CB 1.168 24 residues pruned to eliminate duplicates Z: 25 17.363 2.172 0.689 0.323 0.917 0.292 CB 1.280 25 residues pruned to eliminate duplicates Z: 41 25.225 2.150 0.728 0.424 0.800 0.475 CB 1.452 41 residues pruned to eliminate duplicates Z: 33 22.845 2.195 0.558 0.470 0.812 0.594 CB 1.497 33 residues pruned to eliminate duplicates Z: 37 27.036 2.234 0.752 0.424 0.833 0.472 CB 1.496 37 residues pruned to eliminate duplicates Z: 28 23.241 2.256 0.700 0.467 0.852 0.519 CB 1.415 28 residues pruned to eliminate duplicates Z: 46 36.596 2.227 0.887 0.542 0.844 0.556 CB 1.475 45 residues pruned to eliminate duplicates Z: 10 15.087 2.291 0.524 0.661 0.778 0.667 CA 1.595 10 residues pruned to eliminate duplicates Z: 12 31.512 2.294 0.933 0.744 1.000 0.636 CB 1.723 12 residues pruned to eliminate duplicates Z: 33 27.985 2.220 0.834 0.450 0.875 0.375 CB 1.461 33 residues pruned to eliminate duplicates Z: 13 22.838 2.241 0.819 0.686 0.917 0.750 CB 1.487 13 residues pruned to eliminate duplicates Z: 33 25.709 2.216 0.789 0.443 0.875 0.469 CB 1.389 33 residues pruned to eliminate duplicates Z: 14 25.899 2.216 0.995 0.626 0.923 0.692 CB 1.564 14 residues pruned to eliminate duplicates Z: 43 39.945 2.305 0.896 0.563 0.905 0.762 CB 1.467 43 residues pruned to eliminate duplicates Z: 12 37.010 2.324 1.185 0.726 1.000 0.545 CB 1.793 12 residues pruned to eliminate duplicates Z: 12 30.032 2.261 1.154 0.742 0.909 0.727 CB 1.646 12 residues pruned to eliminate duplicates Z: 44 39.334 2.244 0.817 0.558 0.953 0.605 CB 1.459 44 residues pruned to eliminate duplicates Z: 15 26.038 2.133 1.041 0.743 0.929 0.857 CB 1.385 15 residues pruned to eliminate duplicates Z: 27 30.398 2.153 0.918 0.584 0.885 0.538 CB 1.505 27 residues pruned to eliminate duplicates Z: 15 25.302 2.218 1.070 0.675 0.929 0.500 CB 1.350 15 residues pruned to eliminate duplicates Z: 32 31.971 2.186 1.013 0.586 0.935 0.484 CB 1.284 32 residues pruned to eliminate duplicates Z: 29 30.911 2.160 1.028 0.577 0.929 0.500 CB 1.334 29 residues pruned to eliminate duplicates Z: 30 32.109 2.204 0.960 0.604 0.862 0.621 CB 1.450 30 residues pruned to eliminate duplicates Z: 14 32.743 2.258 1.165 0.742 1.000 0.692 CB 1.496 14 residues pruned to eliminate duplicates Z: 30 34.310 2.235 1.003 0.635 0.897 0.483 CB 1.398 30 residues pruned to eliminate duplicates Z: 27 21.845 2.104 0.782 0.436 0.808 0.462 CB 1.510 27 residues pruned to eliminate duplicates Z: 43 35.108 2.180 0.818 0.468 0.905 0.476 CB 1.561 36 residues pruned to eliminate duplicates Z: 12 30.052 2.199 1.075 0.897 0.909 0.545 CA 1.563 12 residues pruned to eliminate duplicates Z: 16 14.201 2.210 0.506 0.349 0.867 0.467 CB 1.497 16 residues pruned to eliminate duplicates Z: 43 38.089 2.240 0.897 0.533 0.905 0.500 CB 1.480 42 residues pruned to eliminate duplicates Z: 7 10.394 2.008 0.576 0.427 1.000 0.500 CA 1.446 7 residues pruned to eliminate duplicates Z: 42 27.396 2.184 0.773 0.414 0.805 0.463 CB 1.502 42 residues pruned to eliminate duplicates Z: 6 5.105 2.051 0.942 0.256 0.600 0.400 CA 1.264 6 residues pruned to eliminate duplicates Z: 6 8.694 2.369 0.096 0.478 1.000 0.600 CB 1.530 6 residues pruned to eliminate duplicates Z: 40 32.085 2.180 0.789 0.429 0.897 0.462 CB 1.580 40 residues pruned to eliminate duplicates Z: 41 23.516 2.118 0.595 0.381 0.900 0.550 CB 1.387 41 residues pruned to eliminate duplicates Z: 18 8.726 1.912 0.236 0.396 0.824 0.353 CB 1.214 18 residues pruned to eliminate duplicates Z: 7 8.080 2.229 0.367 0.569 0.667 0.667 CB 1.518 7 residues pruned to eliminate duplicates Z: 15 28.564 2.296 0.801 0.578 0.929 0.643 CB 1.844 15 residues pruned to eliminate duplicates Z: 17 25.011 2.182 0.783 0.515 0.938 0.438 CB 1.688 17 residues pruned to eliminate duplicates Z: 16 24.482 2.194 0.883 0.593 0.867 0.467 CB 1.616 16 residues pruned to eliminate duplicates Z: 16 29.195 2.232 1.041 0.525 0.867 0.400 CB 1.864 15 residues pruned to eliminate duplicates Z: 11 31.135 2.159 1.241 0.862 1.000 0.400 CB 1.495 11 residues pruned to eliminate duplicates Z: 27 34.856 2.210 0.919 0.687 0.885 0.462 CB 1.534 27 residues pruned to eliminate duplicates Z: 16 21.475 2.174 0.832 0.602 0.867 0.600 CB 1.457 16 residues pruned to eliminate duplicates Z: 31 30.427 2.207 0.770 0.622 0.900 0.667 CB 1.408 31 residues pruned to eliminate duplicates Z: 28 34.778 2.245 0.923 0.638 0.926 0.667 CB 1.471 28 residues pruned to eliminate duplicates Z: 26 34.748 2.251 0.788 0.697 0.960 0.720 CB 1.502 26 residues pruned to eliminate duplicates Z: 27 33.419 2.271 0.870 0.675 0.923 0.654 CB 1.423 27 residues pruned to eliminate duplicates Z: 31 29.449 2.182 0.705 0.610 0.933 0.667 CB 1.395 31 residues pruned to eliminate duplicates Z: 12 33.612 2.369 1.075 0.741 1.000 0.545 CB 1.661 12 residues pruned to eliminate duplicates Z: 46 35.860 2.235 0.884 0.526 0.867 0.556 CB 1.428 46 residues pruned to eliminate duplicates Z: 30 32.149 2.323 0.824 0.543 0.931 0.586 CB 1.451 30 residues pruned to eliminate duplicates Z: 45 39.280 2.288 0.847 0.531 0.886 0.636 CB 1.533 45 residues pruned to eliminate duplicates Z: 43 40.734 2.296 0.910 0.563 0.881 0.595 CB 1.531 88 residues pruned to eliminate duplicates Z: 30 34.488 2.329 0.949 0.564 0.931 0.655 CB 1.425 30 residues pruned to eliminate duplicates Z: 29 32.889 2.322 0.841 0.578 0.929 0.607 CB 1.452 29 residues pruned to eliminate duplicates Z: 32 30.026 2.212 0.829 0.545 0.935 0.548 CB 1.363 32 residues pruned to eliminate duplicates Z: 29 37.255 2.327 0.899 0.559 0.964 0.500 CB 1.560 29 residues pruned to eliminate duplicates Z: 33 29.901 2.182 0.938 0.477 0.875 0.469 CB 1.463 33 residues pruned to eliminate duplicates Z: 31 31.948 2.234 0.920 0.538 0.900 0.567 CB 1.456 31 residues pruned to eliminate duplicates Z: 30 34.386 2.310 0.908 0.564 0.931 0.552 CB 1.462 30 residues pruned to eliminate duplicates Z: 29 34.001 2.345 0.974 0.536 0.893 0.429 CB 1.501 29 residues pruned to eliminate duplicates Z: 29 37.400 2.305 1.028 0.545 0.929 0.571 CB 1.558 29 residues pruned to eliminate duplicates Z: 30 33.604 2.302 0.916 0.548 0.897 0.345 CB 1.506 30 residues pruned to eliminate duplicates Z: 30 35.055 2.305 0.928 0.570 0.897 0.414 CB 1.527 30 residues pruned to eliminate duplicates Z: 31 34.485 2.274 0.992 0.572 0.933 0.633 CB 1.389 31 residues pruned to eliminate duplicates Z: 63 37.277 2.203 0.803 0.502 0.887 0.565 CB 1.340 223 residues pruned to eliminate duplicates Z: 7 6.408 1.511 0.641 0.392 1.000 0.500 CB 1.183 7 residues pruned to eliminate duplicates Z: 31 37.851 2.299 1.063 0.541 0.933 0.500 CB 1.501 32 residues pruned to eliminate duplicates Z: 6 5.596 1.813 1.548 0.333 0.600 0.000 CA 1.084 6 residues pruned to eliminate duplicates Z: 25 29.321 2.217 0.873 0.493 0.917 0.625 CB 1.584 31 residues pruned to eliminate duplicates Z: 25 33.792 2.298 1.195 0.455 0.917 0.542 CB 1.562 25 residues pruned to eliminate duplicates Z: 24 30.319 2.270 0.981 0.468 0.870 0.565 CB 1.671 24 residues pruned to eliminate duplicates Z: 27 24.678 2.234 0.792 0.457 0.808 0.538 CB 1.564 27 residues pruned to eliminate duplicates Z: 22 32.633 2.317 1.130 0.473 0.857 0.619 CB 1.730 22 residues pruned to eliminate duplicates Z: 29 26.198 2.211 0.860 0.416 0.857 0.536 CB 1.533 37 residues pruned to eliminate duplicates Z: 26 29.812 2.223 0.960 0.439 0.920 0.600 CB 1.584 26 residues pruned to eliminate duplicates Z: 113 62.977 2.269 0.816 0.496 0.875 0.562 CB 1.657 113 residues pruned to eliminate duplicates Z: 87 67.079 2.361 1.002 0.473 0.907 0.581 CB 1.735 87 residues pruned to eliminate duplicates Z: 29 25.457 2.104 0.928 0.456 0.857 0.571 CB 1.447 29 residues pruned to eliminate duplicates Z: 16 15.258 1.925 0.852 0.417 0.800 0.533 CB 1.505 16 residues pruned to eliminate duplicates Z: 27 24.684 2.238 0.877 0.414 0.808 0.462 CB 1.561 27 residues pruned to eliminate duplicates Z: 54 21.934 1.976 0.752 0.362 0.868 0.415 CB 1.163 54 residues pruned to eliminate duplicates Z: 28 22.624 2.285 0.717 0.384 0.778 0.481 CA 1.614 28 residues pruned to eliminate duplicates Z: 24 29.874 2.276 1.210 0.457 0.870 0.522 CB 1.488 24 residues pruned to eliminate duplicates Z: 32 32.557 2.133 0.881 0.504 0.871 0.548 CB 1.667 32 residues pruned to eliminate duplicates Z: 28 28.759 2.313 0.776 0.487 0.852 0.519 CB 1.602 28 residues pruned to eliminate duplicates Z: 28 27.146 2.233 0.825 0.454 0.815 0.556 CB 1.649 28 residues pruned to eliminate duplicates Z: 44 48.524 2.484 0.984 0.478 0.837 0.395 CB 1.833 44 residues pruned to eliminate duplicates Z: 68 51.056 2.305 0.869 0.485 0.881 0.493 CB 1.669 68 residues pruned to eliminate duplicates Z: 25 21.471 2.253 0.795 0.389 0.792 0.583 CA 1.540 25 residues pruned to eliminate duplicates Z: 59 59.044 2.425 0.934 0.493 0.931 0.638 CB 1.788 59 residues pruned to eliminate duplicates Z: 109 64.489 2.312 0.877 0.485 0.843 0.519 CB 1.722 109 residues pruned to eliminate duplicates Z: 40 48.675 2.434 1.109 0.541 0.846 0.564 CB 1.724 40 residues pruned to eliminate duplicates Z: 39 53.385 2.430 1.084 0.514 0.921 0.632 CA 1.832 39 residues pruned to eliminate duplicates Z: 85 66.454 2.319 0.973 0.544 0.893 0.607 CB 1.700 85 residues pruned to eliminate duplicates Z: 39 55.297 2.460 0.961 0.557 0.947 0.632 CB 1.857 39 residues pruned to eliminate duplicates Z: 39 56.323 2.427 1.158 0.530 0.947 0.658 CB 1.788 39 residues pruned to eliminate duplicates Z: 38 57.772 2.499 1.004 0.556 0.946 0.568 CA 1.898 38 residues pruned to eliminate duplicates Z: 38 46.713 2.416 1.018 0.497 0.892 0.568 CA 1.770 38 residues pruned to eliminate duplicates Z: 67 55.451 2.411 1.001 0.503 0.848 0.576 CB 1.662 67 residues pruned to eliminate duplicates Z: 29 43.599 2.401 0.941 0.574 0.929 0.643 CB 1.774 29 residues pruned to eliminate duplicates Z: 82 64.106 2.357 0.971 0.484 0.901 0.580 CB 1.729 82 residues pruned to eliminate duplicates Z: 46 56.365 2.421 1.065 0.559 0.933 0.600 CB 1.701 62 residues pruned to eliminate duplicates Z: 46 49.942 2.415 0.992 0.508 0.889 0.511 CB 1.727 46 residues pruned to eliminate duplicates Z: 44 51.204 2.482 0.979 0.490 0.907 0.581 CB 1.771 44 residues pruned to eliminate duplicates Z: 77 59.784 2.355 1.160 0.463 0.855 0.526 CB 1.637 77 residues pruned to eliminate duplicates Z: 48 55.795 2.509 1.003 0.518 0.872 0.574 CB 1.824 48 residues pruned to eliminate duplicates Z: 46 47.082 2.414 0.977 0.500 0.844 0.533 CB 1.741 46 residues pruned to eliminate duplicates Z: 60 56.669 2.397 0.945 0.525 0.932 0.475 CB 1.656 60 residues pruned to eliminate duplicates Z: 148 73.158 2.262 0.915 0.500 0.891 0.551 CB 1.563 148 residues pruned to eliminate duplicates Z: 123 64.139 2.236 0.883 0.478 0.869 0.557 CB 1.624 123 residues pruned to eliminate duplicates Z: 76 68.865 2.316 1.042 0.540 0.907 0.547 CB 1.785 76 residues pruned to eliminate duplicates Z: 54 49.464 2.428 0.922 0.489 0.830 0.585 CB 1.773 54 residues pruned to eliminate duplicates Z: 94 70.234 2.288 0.980 0.519 0.914 0.559 CB 1.727 94 residues pruned to eliminate duplicates Z: 81 56.170 2.362 0.964 0.450 0.850 0.425 CB 1.676 81 residues pruned to eliminate duplicates Z: 50 50.566 2.390 0.973 0.498 0.918 0.592 CB 1.671 50 residues pruned to eliminate duplicates Z: 86 60.087 2.307 1.010 0.488 0.894 0.482 CB 1.592 86 residues pruned to eliminate duplicates Z: 48 60.605 2.464 0.999 0.536 0.936 0.489 CB 1.850 48 residues pruned to eliminate duplicates Z: 85 63.798 2.290 0.941 0.516 0.917 0.548 CB 1.681 85 residues pruned to eliminate duplicates Z: 25 14.376 2.100 0.503 0.251 0.792 0.417 CB 1.563 25 residues pruned to eliminate duplicates Z: 71 47.945 2.313 0.876 0.485 0.843 0.557 CB 1.590 71 residues pruned to eliminate duplicates Z: 21 20.708 2.321 0.917 0.310 0.800 0.550 CB 1.607 21 residues pruned to eliminate duplicates Z: 41 38.581 2.295 0.841 0.486 0.925 0.500 CB 1.583 41 residues pruned to eliminate duplicates Z: 82 55.186 2.335 0.937 0.454 0.877 0.543 CB 1.621 82 residues pruned to eliminate duplicates Z: 106 72.651 2.326 0.909 0.510 0.924 0.543 CB 1.710 106 residues pruned to eliminate duplicates Z: 27 32.783 2.224 1.079 0.393 0.846 0.385 CB 1.841 27 residues pruned to eliminate duplicates Z: 73 63.724 2.428 0.973 0.464 0.917 0.514 CB 1.773 73 residues pruned to eliminate duplicates Z: 102 71.277 2.315 0.997 0.520 0.911 0.564 CB 1.651 102 residues pruned to eliminate duplicates Z: 76 66.710 2.404 0.956 0.471 0.960 0.573 CB 1.758 76 residues pruned to eliminate duplicates Z: 61 63.856 2.353 0.979 0.574 0.950 0.550 CB 1.735 61 residues pruned to eliminate duplicates Z: 76 69.044 2.440 0.958 0.478 0.960 0.507 CB 1.777 76 residues pruned to eliminate duplicates Z: 58 61.919 2.419 0.998 0.552 0.912 0.544 CB 1.768 58 residues pruned to eliminate duplicates Z: 82 66.351 2.387 1.043 0.508 0.901 0.519 CB 1.665 82 residues pruned to eliminate duplicates Z: 61 52.473 2.291 1.048 0.485 0.883 0.433 CB 1.659 61 residues pruned to eliminate duplicates Z: 103 74.358 2.273 0.993 0.540 0.912 0.569 CB 1.714 103 residues pruned to eliminate duplicates Z: 79 73.201 2.343 1.088 0.541 0.936 0.615 CB 1.740 79 residues pruned to eliminate duplicates Z: 59 64.106 2.396 1.073 0.543 0.948 0.534 CB 1.713 59 residues pruned to eliminate duplicates Z: 84 59.047 2.329 0.913 0.474 0.904 0.518 CB 1.653 84 residues pruned to eliminate duplicates Z: 50 48.413 2.394 0.985 0.452 0.898 0.429 CB 1.702 50 residues pruned to eliminate duplicates Z: 120 76.728 2.269 0.940 0.511 0.941 0.622 CB 1.679 120 residues pruned to eliminate duplicates Z: 18 21.906 1.992 0.842 0.571 0.941 0.706 CB 1.436 18 residues pruned to eliminate duplicates Z: 111 80.642 2.287 1.087 0.517 0.936 0.564 CB 1.692 111 residues pruned to eliminate duplicates Z: 106 81.684 2.343 0.977 0.526 0.952 0.638 CB 1.761 106 residues pruned to eliminate duplicates Z: 39 42.460 2.251 1.026 0.480 0.921 0.500 CB 1.672 39 residues pruned to eliminate duplicates Z: 80 71.702 2.306 1.035 0.541 0.962 0.557 CB 1.717 80 residues pruned to eliminate duplicates Z: 88 66.987 2.326 0.994 0.521 0.908 0.506 CB 1.671 88 residues pruned to eliminate duplicates Z: 17 12.141 1.967 0.393 0.458 0.938 0.688 CB 1.233 17 residues pruned to eliminate duplicates Z: 133 65.126 2.274 0.820 0.442 0.879 0.500 CB 1.655 133 residues pruned to eliminate duplicates Z: 44 43.405 2.143 0.840 0.552 0.977 0.558 CA 1.633 44 residues pruned to eliminate duplicates Z: 76 69.243 2.345 1.009 0.517 0.947 0.587 CB 1.762 76 residues pruned to eliminate duplicates Z: 77 67.906 2.332 1.004 0.537 0.895 0.553 CB 1.796 77 residues pruned to eliminate duplicates Z: 48 33.432 2.133 0.702 0.525 0.830 0.596 CB 1.579 48 residues pruned to eliminate duplicates Z: 39 34.926 2.098 0.905 0.601 0.842 0.579 CB 1.528 39 residues pruned to eliminate duplicates Z: 49 39.722 2.145 0.807 0.542 0.938 0.625 CB 1.515 49 residues pruned to eliminate duplicates Z: 85 69.741 2.311 1.009 0.537 0.917 0.548 CB 1.724 85 residues pruned to eliminate duplicates Z: 50 37.260 2.121 0.903 0.524 0.857 0.592 CB 1.502 50 residues pruned to eliminate duplicates Z: 46 39.789 2.185 0.923 0.544 0.867 0.578 CB 1.561 46 residues pruned to eliminate duplicates Z: 24 40.940 2.166 1.053 0.614 1.000 0.696 CB 1.723 24 residues pruned to eliminate duplicates Z: 22 40.514 2.232 1.015 0.697 0.952 0.667 CA 1.725 22 residues pruned to eliminate duplicates Z: 38 33.604 2.097 0.841 0.574 0.892 0.459 CB 1.494 38 residues pruned to eliminate duplicates Z: 25 34.955 2.117 0.908 0.600 1.000 0.667 CA 1.606 25 residues pruned to eliminate duplicates Z: 91 65.031 2.295 1.015 0.503 0.889 0.578 CB 1.663 91 residues pruned to eliminate duplicates Z: 25 35.060 2.115 1.076 0.597 0.958 0.625 CB 1.551 25 residues pruned to eliminate duplicates Z: 40 36.009 2.095 0.820 0.583 0.897 0.615 CB 1.556 40 residues pruned to eliminate duplicates Z: 90 73.897 2.304 1.048 0.538 0.933 0.607 CB 1.715 90 residues pruned to eliminate duplicates Z: 23 33.596 2.194 0.950 0.647 0.909 0.682 CB 1.606 23 residues pruned to eliminate duplicates Z: 113 68.857 2.263 0.876 0.520 0.929 0.518 CB 1.618 113 residues pruned to eliminate duplicates Z: 23 37.699 2.173 1.026 0.642 0.955 0.545 CA 1.675 23 residues pruned to eliminate duplicates Z: 16 17.099 2.002 0.750 0.486 0.867 0.533 CB 1.474 16 residues pruned to eliminate duplicates Z: 27 19.286 2.072 0.516 0.459 0.808 0.385 CB 1.554 27 residues pruned to eliminate duplicates Z: 29 24.019 2.112 0.593 0.482 0.893 0.643 CB 1.539 29 residues pruned to eliminate duplicates Z: 15 22.365 2.030 0.647 0.556 1.000 0.571 CB 1.692 15 residues pruned to eliminate duplicates Z: 49 39.493 2.136 0.768 0.543 0.917 0.604 CB 1.580 49 residues pruned to eliminate duplicates Z: 38 38.190 2.160 0.818 0.614 0.865 0.568 CB 1.658 38 residues pruned to eliminate duplicates Z: 41 37.647 2.112 0.817 0.606 0.925 0.575 CB 1.517 41 residues pruned to eliminate duplicates Z: 23 17.643 2.010 0.561 0.412 0.864 0.500 CB 1.522 23 residues pruned to eliminate duplicates Z: 20 18.158 1.998 0.574 0.508 0.895 0.526 CB 1.469 20 residues pruned to eliminate duplicates Z: 48 39.773 2.085 0.804 0.539 0.936 0.553 CB 1.585 48 residues pruned to eliminate duplicates Z: 22 17.331 2.053 0.542 0.437 0.857 0.429 CB 1.488 22 residues pruned to eliminate duplicates Z: 19 20.862 2.089 0.654 0.556 0.944 0.500 CB 1.428 19 residues pruned to eliminate duplicates Z: 30 18.012 2.006 0.530 0.475 0.828 0.483 CB 1.350 30 residues pruned to eliminate duplicates Z: 10 7.411 2.045 0.404 0.353 0.778 0.556 CB 1.298 10 residues pruned to eliminate duplicates Z: 38 24.054 2.036 0.692 0.442 0.892 0.568 CB 1.365 38 residues pruned to eliminate duplicates Z: 41 19.054 2.020 0.623 0.414 0.775 0.475 CB 1.297 41 residues pruned to eliminate duplicates Z: 16 13.647 2.052 0.737 0.450 0.867 0.667 CB 1.200 16 residues pruned to eliminate duplicates Z: 32 22.999 2.053 0.719 0.440 0.903 0.613 CB 1.379 32 residues pruned to eliminate duplicates Z: 19 12.155 2.033 0.707 0.351 0.833 0.500 CB 1.164 19 residues pruned to eliminate duplicates Z: 41 17.738 1.970 0.636 0.371 0.850 0.425 CB 1.175 41 residues pruned to eliminate duplicates Z: 16 12.820 2.040 0.680 0.372 0.933 0.533 CB 1.187 16 residues pruned to eliminate duplicates Z: 17 10.412 1.915 0.725 0.415 0.812 0.500 CB 1.060 17 residues pruned to eliminate duplicates Z: 17 13.688 1.967 0.812 0.364 0.875 0.500 CB 1.271 17 residues pruned to eliminate duplicates Z: 18 9.934 1.930 0.560 0.378 0.882 0.471 CB 1.033 18 residues pruned to eliminate duplicates Z: 17 11.299 1.968 0.735 0.369 0.812 0.500 CB 1.171 17 residues pruned to eliminate duplicates Z: 31 17.298 2.005 0.617 0.391 0.800 0.400 CB 1.366 31 residues pruned to eliminate duplicates Z: 18 10.726 1.946 0.632 0.359 0.824 0.471 CB 1.158 18 residues pruned to eliminate duplicates Z: 24 12.333 2.035 0.488 0.317 0.870 0.391 CB 1.196 24 residues pruned to eliminate duplicates Z: 22 15.671 2.093 0.671 0.351 0.905 0.524 CB 1.271 22 residues pruned to eliminate duplicates Z: 37 33.395 2.219 1.023 0.499 0.917 0.500 CB 1.355 Z: 6 5.541 1.537 0.986 0.395 0.800 0.800 CA 1.134 6 residues pruned to eliminate duplicates Z: 18 18.141 2.111 0.750 0.417 0.882 0.471 CB 1.471 18 residues pruned to eliminate duplicates Z: 10 15.107 2.151 0.819 0.446 0.889 0.778 CB 1.531 10 residues pruned to eliminate duplicates Z: 15 8.512 1.418 0.428 0.529 0.929 0.571 CB 1.175 15 residues pruned to eliminate duplicates Z: 18 19.794 2.114 0.815 0.450 0.882 0.588 CB 1.493 17 residues pruned to eliminate duplicates Z: 6 9.826 1.898 0.827 0.492 1.000 0.600 CB 1.277 6 residues pruned to eliminate duplicates Z: 36 24.577 2.151 1.001 0.392 0.771 0.486 CB 1.402 24 residues pruned to eliminate duplicates Z: 9 4.042 1.601 0.731 0.576 0.750 0.375 CB 0.639 9 residues pruned to eliminate duplicates Z: 39 35.930 2.238 0.939 0.493 0.921 0.684 CB 1.468 50 residues pruned to eliminate duplicates Z: 7 5.209 1.620 0.609 0.355 0.833 0.333 CA 1.145 7 residues pruned to eliminate duplicates Z: 45 37.193 2.177 0.945 0.467 0.886 0.568 CB 1.545 22 residues pruned to eliminate duplicates Z: 7 8.294 1.803 1.268 0.417 0.833 0.833 CA 1.084 7 residues pruned to eliminate duplicates Z: 24 26.273 2.234 1.000 0.435 0.870 0.478 CB 1.508 24 residues pruned to eliminate duplicates Z: 78 46.626 2.328 0.849 0.406 0.818 0.338 CB 1.666 58 residues pruned to eliminate duplicates Z: 7 6.495 1.466 0.916 0.453 0.833 0.333 CA 1.188 Z: 17 44.762 2.458 1.202 0.739 0.938 0.688 CB 1.781 17 residues pruned to eliminate duplicates Z: 35 46.234 2.360 0.977 0.540 0.912 0.676 CB 1.792 35 residues pruned to eliminate duplicates Z: 39 51.809 2.390 0.979 0.537 0.974 0.632 CB 1.760 39 residues pruned to eliminate duplicates Z: 45 52.103 2.418 1.058 0.467 0.909 0.591 CA 1.796 45 residues pruned to eliminate duplicates Z: 52 53.952 2.397 1.082 0.507 0.843 0.608 CB 1.783 49 residues pruned to eliminate duplicates Z: 16 37.801 2.382 0.696 0.856 1.000 0.667 CA 1.781 16 residues pruned to eliminate duplicates Z: 45 45.951 2.361 0.899 0.495 0.909 0.659 CB 1.708 45 residues pruned to eliminate duplicates Z: 65 51.365 2.238 0.956 0.493 0.875 0.625 CB 1.687 46 residues pruned to eliminate duplicates Z: 15 49.038 2.447 1.138 0.872 1.000 0.786 CA 1.827 15 residues pruned to eliminate duplicates Z: 119 64.102 2.204 0.932 0.503 0.890 0.585 CB 1.552 102 residues pruned to eliminate duplicates Z: 16 43.147 2.409 0.967 0.870 0.933 0.733 CA 1.839 16 residues pruned to eliminate duplicates Z: 38 51.649 2.449 1.029 0.544 0.919 0.622 CB 1.780 38 residues pruned to eliminate duplicates Z: 82 57.876 2.308 0.939 0.479 0.864 0.568 CB 1.699 82 residues pruned to eliminate duplicates Z: 48 44.604 2.305 1.054 0.489 0.830 0.532 CB 1.675 48 residues pruned to eliminate duplicates Z: 75 46.887 2.185 1.011 0.461 0.851 0.419 CB 1.516 75 residues pruned to eliminate duplicates Z: 69 49.907 2.336 0.901 0.450 0.838 0.529 CB 1.712 69 residues pruned to eliminate duplicates Z: 69 51.959 2.294 1.017 0.483 0.868 0.588 CB 1.598 69 residues pruned to eliminate duplicates Z: 59 53.688 2.402 0.978 0.443 0.879 0.517 CB 1.789 59 residues pruned to eliminate duplicates Z: 56 51.563 2.303 0.931 0.483 0.927 0.509 CB 1.715 56 residues pruned to eliminate duplicates Z: 63 51.004 2.328 1.039 0.485 0.823 0.532 CB 1.683 63 residues pruned to eliminate duplicates Z: 60 56.183 2.389 1.069 0.481 0.881 0.492 CB 1.712 60 residues pruned to eliminate duplicates Z: 65 52.524 2.261 1.040 0.522 0.859 0.484 CB 1.620 65 residues pruned to eliminate duplicates Z: 50 48.224 2.280 0.924 0.490 0.918 0.592 CB 1.727 50 residues pruned to eliminate duplicates Z: 63 59.533 2.369 1.099 0.535 0.871 0.548 CB 1.687 63 residues pruned to eliminate duplicates Z: 62 52.109 2.335 0.994 0.491 0.869 0.475 CB 1.664 62 residues pruned to eliminate duplicates Z: 46 58.775 2.356 1.214 0.538 0.933 0.600 CB 1.733 46 residues pruned to eliminate duplicates Z: 101 68.307 2.287 1.047 0.496 0.890 0.500 CB 1.646 101 residues pruned to eliminate duplicates Z: 23 24.633 2.245 1.005 0.336 0.818 0.500 CB 1.705 23 residues pruned to eliminate duplicates Z: 63 49.846 2.279 1.022 0.478 0.903 0.500 CB 1.556 63 residues pruned to eliminate duplicates Z: 56 51.174 2.385 0.952 0.474 0.873 0.582 CB 1.744 56 residues pruned to eliminate duplicates Z: 57 55.828 2.336 0.928 0.543 0.929 0.607 CB 1.711 57 residues pruned to eliminate duplicates Z: 84 65.926 2.338 0.997 0.493 0.928 0.566 CB 1.682 84 residues pruned to eliminate duplicates Z: 66 49.603 2.276 1.073 0.428 0.862 0.492 CB 1.630 66 residues pruned to eliminate duplicates Z: 46 57.118 2.389 1.224 0.547 0.911 0.511 CB 1.679 46 residues pruned to eliminate duplicates Z: 80 68.393 2.335 1.034 0.525 0.949 0.582 CB 1.665 80 residues pruned to eliminate duplicates Z: 75 61.232 2.297 1.063 0.489 0.892 0.500 CB 1.703 75 residues pruned to eliminate duplicates Z: 64 58.873 2.344 1.047 0.511 0.905 0.524 CB 1.691 64 residues pruned to eliminate duplicates Z: 54 38.071 2.133 0.855 0.464 0.868 0.585 CB 1.579 47 residues pruned to eliminate duplicates Z: 9 17.770 2.139 1.095 0.597 0.750 0.250 CA 1.704 9 residues pruned to eliminate duplicates Z: 23 30.186 2.216 0.909 0.548 0.864 0.591 CB 1.681 23 residues pruned to eliminate duplicates Z: 97 64.219 2.234 0.960 0.536 0.906 0.531 CB 1.595 113 residues pruned to eliminate duplicates Z: 15 12.882 1.971 0.829 0.444 0.714 0.429 CB 1.416 15 residues pruned to eliminate duplicates Z: 87 58.271 2.249 0.934 0.470 0.895 0.442 CB 1.664 87 residues pruned to eliminate duplicates Z: 69 57.686 2.291 0.993 0.525 0.912 0.500 CB 1.640 69 residues pruned to eliminate duplicates Z: 80 62.952 2.237 1.029 0.532 0.899 0.582 CB 1.682 80 residues pruned to eliminate duplicates Z: 98 58.619 2.279 0.906 0.473 0.887 0.526 CB 1.588 98 residues pruned to eliminate duplicates Z: 67 57.726 2.319 1.001 0.501 0.924 0.530 CB 1.655 67 residues pruned to eliminate duplicates Z: 82 68.557 2.255 1.120 0.513 0.938 0.531 CB 1.677 91 residues pruned to eliminate duplicates Z: 11 10.903 1.864 0.552 0.534 0.800 0.400 CB 1.440 11 residues pruned to eliminate duplicates Z: 69 61.863 2.305 1.000 0.499 0.941 0.529 CB 1.730 69 residues pruned to eliminate duplicates Z: 66 60.652 2.326 1.008 0.539 0.908 0.600 CB 1.708 66 residues pruned to eliminate duplicates Z: 66 56.097 2.341 1.024 0.502 0.862 0.538 CB 1.701 66 residues pruned to eliminate duplicates Z: 68 59.963 2.274 1.042 0.511 0.925 0.507 CB 1.687 68 residues pruned to eliminate duplicates Z: 63 34.961 2.052 0.698 0.485 0.903 0.500 CB 1.432 45 residues pruned to eliminate duplicates Z: 9 15.584 1.934 0.865 0.648 0.875 0.250 CB 1.521 9 residues pruned to eliminate duplicates Z: 89 64.726 2.292 1.057 0.530 0.886 0.591 CB 1.603 89 residues pruned to eliminate duplicates Z: 102 68.212 2.260 1.004 0.514 0.911 0.584 CB 1.622 102 residues pruned to eliminate duplicates Z: 46 32.380 2.017 0.792 0.482 0.911 0.600 CB 1.493 46 residues pruned to eliminate duplicates Z: 44 46.122 2.209 1.060 0.462 0.953 0.558 CB 1.685 44 residues pruned to eliminate duplicates Z: 30 24.778 2.099 0.941 0.527 0.793 0.552 CB 1.387 30 residues pruned to eliminate duplicates Z: 23 29.900 2.153 0.900 0.557 0.909 0.591 CB 1.622 23 residues pruned to eliminate duplicates Z: 24 21.828 2.135 0.734 0.561 0.826 0.565 CB 1.403 24 residues pruned to eliminate duplicates Z: 23 35.076 2.233 1.130 0.653 0.909 0.682 CB 1.500 23 residues pruned to eliminate duplicates Z: 42 31.906 2.118 0.779 0.533 0.878 0.537 CB 1.459 41 residues pruned to eliminate duplicates Z: 15 32.985 2.319 0.988 0.885 0.857 0.714 CB 1.610 15 residues pruned to eliminate duplicates Z: 27 24.426 2.079 0.913 0.468 0.885 0.538 CB 1.407 27 residues pruned to eliminate duplicates Z: 21 26.984 2.237 0.928 0.600 0.900 0.650 CB 1.414 21 residues pruned to eliminate duplicates Z: 23 36.217 2.189 1.114 0.629 0.909 0.682 CB 1.626 23 residues pruned to eliminate duplicates Z: 24 31.401 2.174 0.885 0.638 0.870 0.652 CB 1.615 24 residues pruned to eliminate duplicates Z: 23 31.738 2.151 0.902 0.673 0.909 0.682 CB 1.551 23 residues pruned to eliminate duplicates Z: 24 30.702 2.086 0.780 0.637 0.957 0.565 CB 1.587 24 residues pruned to eliminate duplicates Z: 22 36.634 2.279 1.021 0.673 0.905 0.571 CB 1.635 22 residues pruned to eliminate duplicates Z: 23 32.379 2.218 0.850 0.683 0.909 0.727 CB 1.564 23 residues pruned to eliminate duplicates Z: 30 32.217 2.030 0.954 0.554 0.931 0.759 CB 1.537 30 residues pruned to eliminate duplicates Z: 24 30.298 2.172 0.864 0.628 0.913 0.739 CB 1.515 24 residues pruned to eliminate duplicates Z: 28 28.902 2.101 1.095 0.556 0.852 0.593 CB 1.405 28 residues pruned to eliminate duplicates Z: 28 29.134 2.041 0.761 0.570 0.889 0.556 CA 1.641 28 residues pruned to eliminate duplicates Z: 29 25.218 2.157 0.794 0.568 0.821 0.607 CB 1.404 29 residues pruned to eliminate duplicates Z: 25 36.237 2.102 0.932 0.665 0.958 0.750 CB 1.632 25 residues pruned to eliminate duplicates Z: 23 30.499 2.210 0.847 0.686 0.864 0.545 CB 1.556 23 residues pruned to eliminate duplicates Z: 23 29.137 2.179 0.761 0.657 0.909 0.773 CB 1.540 23 residues pruned to eliminate duplicates Z: 32 24.694 2.073 0.759 0.532 0.839 0.677 CB 1.404 32 residues pruned to eliminate duplicates Z: 15 16.523 2.078 0.830 0.551 0.786 0.500 CB 1.406 15 residues pruned to eliminate duplicates Z: 29 24.965 2.141 0.731 0.605 0.786 0.607 CB 1.466 29 residues pruned to eliminate duplicates Z: 19 15.444 1.961 0.812 0.441 0.778 0.500 CB 1.401 18 residues pruned to eliminate duplicates 761 residues left after pruning, divided into chains as follows: A: 9 B: 7 C: 161 D: 195 E: 44 F: 206 G: 139 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 39.36 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.777, Connect. = 0.739 for dens.mod. cycle 1 = 0.300, Contrast = 0.902, Connect. = 0.770 for dens.mod. cycle 2 = 0.300, Contrast = 1.076, Connect. = 0.795 for dens.mod. cycle 3 = 0.300, Contrast = 1.105, Connect. = 0.797 for dens.mod. cycle 4 = 0.300, Contrast = 1.127, Connect. = 0.799 for dens.mod. cycle 5 = 0.300, Contrast = 1.134, Connect. = 0.800 for dens.mod. cycle 6 = 0.300, Contrast = 1.140, Connect. = 0.801 for dens.mod. cycle 7 = 0.300, Contrast = 1.140, Connect. = 0.802 for dens.mod. cycle 8 = 0.300, Contrast = 1.141, Connect. = 0.802 for dens.mod. cycle 9 = 0.300, Contrast = 1.139, Connect. = 0.802 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 5194 peaks > 0.5 sigma used to seed fragment search Space for about 1914 unique residues taking solvent into account 1037 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 17 54.797 2.472 1.121 0.871 1.000 0.625 CA 1.906 B: 16 46.965 2.524 0.959 0.863 0.933 0.733 CA 1.927 17 residues pruned to eliminate duplicates C: 17 44.262 2.375 1.193 0.921 0.938 0.750 CB 1.595 D: 28 33.080 2.384 0.774 0.453 0.889 0.704 CA 1.777 E: 16 45.926 2.471 1.169 0.893 0.933 0.800 CB 1.702 16 residues pruned to eliminate duplicates F: 17 54.480 2.453 1.217 0.883 1.000 0.812 CA 1.811 17 residues pruned to eliminate duplicates G: 17 49.975 2.446 0.997 0.861 1.000 0.625 CA 1.879 17 residues pruned to eliminate duplicates H: 16 50.592 2.643 0.929 0.892 0.933 0.867 CA 1.971 16 residues pruned to eliminate duplicates I: 17 31.731 2.121 0.927 0.862 0.875 0.688 CA 1.629 J: 13 33.174 2.365 0.886 0.900 0.917 0.833 CB 1.673 13 residues pruned to eliminate duplicates K: 13 37.152 2.435 0.725 0.891 1.000 0.750 CB 1.835 13 residues pruned to eliminate duplicates L: 17 41.921 2.366 1.003 0.901 0.938 0.875 CA 1.684 17 residues pruned to eliminate duplicates M: 17 35.746 2.368 0.767 0.871 0.938 0.938 CA 1.662 17 residues pruned to eliminate duplicates N: 11 37.276 2.485 1.317 0.739 0.900 0.500 CA 1.836 O: 16 53.508 2.494 1.431 0.919 0.933 0.800 CB 1.720 16 residues pruned to eliminate duplicates P: 15 35.521 2.384 0.862 0.807 0.929 0.714 CA 1.762 Q: 17 38.016 2.355 0.888 0.820 0.938 0.875 CB 1.728 17 residues pruned to eliminate duplicates R: 13 21.717 2.162 0.561 0.884 0.833 0.833 CA 1.611 S: 14 33.166 2.208 0.965 0.843 1.000 0.923 CB 1.578 14 residues pruned to eliminate duplicates T: 12 47.253 2.412 1.292 0.897 1.000 0.727 CA 1.846 U: 11 22.922 2.474 0.679 0.685 0.800 0.400 CB 1.842 11 residues pruned to eliminate duplicates V: 16 54.221 2.636 1.151 0.871 0.933 0.533 CA 1.930 16 residues pruned to eliminate duplicates W: 18 19.205 2.357 0.794 0.288 0.824 0.471 CB 1.696 18 residues pruned to eliminate duplicates X: 27 32.293 2.349 1.040 0.417 0.885 0.615 CB 1.629 27 residues pruned to eliminate duplicates Y: 9 44.640 2.643 1.321 0.924 1.000 0.875 CB 1.806 Z: 16 23.033 2.249 0.389 0.834 0.867 0.600 CB 1.647 13 residues pruned to eliminate duplicates Z: 17 43.656 2.271 0.963 0.897 1.000 0.875 CB 1.752 Z: 16 44.686 2.589 0.889 0.815 0.933 0.867 CA 1.923 16 residues pruned to eliminate duplicates Z: 13 39.394 2.357 1.308 0.898 0.917 0.500 CA 1.632 10 residues pruned to eliminate duplicates Z: 16 54.735 2.650 0.903 0.855 1.000 0.733 CA 2.068 16 residues pruned to eliminate duplicates Z: 12 40.924 2.366 1.384 0.892 0.909 0.727 CB 1.729 12 residues pruned to eliminate duplicates Z: 7 12.025 2.361 1.230 0.536 0.667 0.500 CB 1.350 Z: 31 34.173 2.326 0.869 0.552 0.900 0.567 CB 1.516 14 residues pruned to eliminate duplicates Z: 16 33.172 2.281 0.764 0.865 1.000 0.800 CB 1.560 15 residues pruned to eliminate duplicates Z: 17 41.799 2.386 1.153 0.911 0.875 0.812 CA 1.648 17 residues pruned to eliminate duplicates Z: 10 38.193 2.453 1.412 0.762 0.889 0.444 CB 1.918 10 residues pruned to eliminate duplicates Z: 15 36.551 2.388 0.716 0.862 1.000 0.500 CB 1.750 16 residues pruned to eliminate duplicates Z: 13 43.497 2.484 1.206 0.904 0.917 0.917 CB 1.779 14 residues pruned to eliminate duplicates Z: 15 35.696 2.376 0.971 0.897 0.857 0.714 CB 1.701 15 residues pruned to eliminate duplicates Z: 15 27.726 2.290 0.654 0.877 0.929 0.786 CA 1.529 Z: 15 27.063 2.063 0.915 0.815 0.929 0.714 CA 1.499 15 residues pruned to eliminate duplicates Z: 6 3.608 1.730 0.257 0.511 0.600 0.600 CA 1.223 Z: 11 41.871 2.573 0.863 0.921 1.000 1.000 CB 1.944 11 residues pruned to eliminate duplicates Z: 15 34.646 2.324 0.839 0.901 0.929 0.786 CA 1.666 15 residues pruned to eliminate duplicates Z: 10 12.162 2.402 0.949 0.356 0.889 0.778 CB 1.138 Z: 16 34.789 2.291 0.810 0.840 1.000 0.733 CB 1.616 16 residues pruned to eliminate duplicates Z: 6 8.520 1.874 0.841 0.805 0.800 0.400 CA 1.058 Z: 16 50.168 2.631 1.019 0.865 0.867 0.667 CA 2.062 16 residues pruned to eliminate duplicates Z: 11 8.427 2.173 0.743 0.269 0.700 0.200 CB 1.308 Z: 16 37.794 2.289 1.087 0.856 0.933 0.733 CB 1.615 15 residues pruned to eliminate duplicates Z: 13 43.528 2.325 1.210 0.910 1.000 0.833 CA 1.734 14 residues pruned to eliminate duplicates Z: 13 33.451 2.394 1.064 0.847 0.917 0.750 CB 1.583 13 residues pruned to eliminate duplicates Z: 17 39.100 2.305 0.938 0.834 0.938 0.812 CA 1.750 15 residues pruned to eliminate duplicates Z: 17 16.206 2.091 1.049 0.437 0.812 0.625 CB 1.243 11 residues pruned to eliminate duplicates Z: 12 37.559 2.508 0.683 0.922 1.000 0.909 CA 1.886 11 residues pruned to eliminate duplicates Z: 17 27.068 2.317 0.912 0.477 0.875 0.438 CA 1.787 Z: 13 39.245 2.426 1.218 0.867 0.917 0.583 CB 1.680 13 residues pruned to eliminate duplicates Z: 16 51.267 2.464 1.216 0.913 1.000 0.800 CB 1.715 17 residues pruned to eliminate duplicates Z: 11 28.801 2.201 1.017 0.868 1.000 0.800 CA 1.500 Z: 17 20.990 2.220 0.691 0.506 0.875 0.625 CA 1.587 7 residues pruned to eliminate duplicates Z: 6 9.105 2.293 1.043 0.481 0.600 0.600 CA 1.478 Z: 13 40.736 2.208 1.505 0.890 0.917 0.667 CB 1.668 13 residues pruned to eliminate duplicates Z: 17 49.881 2.344 1.149 0.877 1.000 0.625 CA 1.798 17 residues pruned to eliminate duplicates Z: 43 42.092 2.302 1.025 0.486 0.881 0.429 CB 1.603 27 residues pruned to eliminate duplicates Z: 23 31.640 2.247 1.198 0.404 0.909 0.500 CB 1.662 Z: 12 27.099 2.292 0.548 0.916 1.000 0.909 CA 1.627 12 residues pruned to eliminate duplicates Z: 18 31.856 2.177 0.888 0.831 0.941 0.706 CA 1.501 18 residues pruned to eliminate duplicates Z: 12 28.406 2.422 0.597 0.907 0.909 0.818 CA 1.731 12 residues pruned to eliminate duplicates Z: 16 31.625 2.255 0.848 0.870 0.933 0.733 CA 1.532 16 residues pruned to eliminate duplicates Z: 12 35.040 2.376 0.973 0.876 0.909 0.818 CB 1.801 12 residues pruned to eliminate duplicates Z: 15 31.702 2.308 1.006 0.876 0.929 0.857 CA 1.433 15 residues pruned to eliminate duplicates Z: 40 28.578 2.240 0.877 0.408 0.846 0.564 CB 1.417 Z: 13 20.715 2.047 0.427 0.871 1.000 0.750 CA 1.493 12 residues pruned to eliminate duplicates Z: 11 23.910 2.447 1.071 0.706 0.700 0.300 CB 1.768 11 residues pruned to eliminate duplicates Z: 22 36.734 2.358 1.060 0.618 0.905 0.619 CA 1.632 15 residues pruned to eliminate duplicates Z: 92 53.008 2.282 0.787 0.446 0.868 0.538 CB 1.659 50 residues pruned to eliminate duplicates Z: 8 9.525 2.130 0.772 0.347 0.714 0.571 CA 1.576 8 residues pruned to eliminate duplicates Z: 41 41.747 2.365 0.732 0.514 0.925 0.725 CB 1.718 41 residues pruned to eliminate duplicates Z: 18 31.337 2.292 0.841 0.823 0.824 0.647 CA 1.653 18 residues pruned to eliminate duplicates Z: 7 6.345 1.724 0.571 0.736 0.833 0.667 CA 0.929 Z: 13 25.175 2.185 1.207 0.711 0.833 0.583 CA 1.493 6 residues pruned to eliminate duplicates Z: 37 52.100 2.401 1.115 0.536 0.972 0.500 CB 1.698 37 residues pruned to eliminate duplicates Z: 12 40.634 2.327 1.498 0.927 0.909 0.545 CB 1.625 12 residues pruned to eliminate duplicates Z: 12 25.290 2.205 0.716 0.856 0.909 0.727 CA 1.635 12 residues pruned to eliminate duplicates Z: 15 32.791 2.298 1.068 0.798 0.857 0.571 CA 1.657 15 residues pruned to eliminate duplicates Z: 11 50.170 2.564 1.304 0.915 1.000 0.600 CB 1.898 12 residues pruned to eliminate duplicates Z: 11 58.298 2.604 1.647 0.941 1.000 0.600 CB 1.856 11 residues pruned to eliminate duplicates Z: 70 55.157 2.316 0.866 0.499 0.899 0.536 CB 1.712 71 residues pruned to eliminate duplicates Z: 69 49.883 2.343 0.974 0.437 0.838 0.500 CB 1.666 25 residues pruned to eliminate duplicates Z: 37 23.691 2.118 0.760 0.388 0.750 0.444 CB 1.591 6 residues pruned to eliminate duplicates Z: 19 32.130 2.153 0.810 0.862 1.000 0.722 CA 1.427 19 residues pruned to eliminate duplicates Z: 30 27.263 2.176 0.888 0.414 0.931 0.414 CB 1.448 38 residues pruned to eliminate duplicates Z: 10 38.409 2.611 0.809 0.927 1.000 0.778 CB 1.900 10 residues pruned to eliminate duplicates Z: 24 25.873 2.202 0.925 0.424 0.826 0.522 CB 1.668 24 residues pruned to eliminate duplicates Z: 15 34.099 2.349 0.661 0.850 1.000 0.857 CA 1.731 15 residues pruned to eliminate duplicates Z: 12 33.980 2.395 0.868 0.894 1.000 0.818 CB 1.644 12 residues pruned to eliminate duplicates Z: 12 52.262 2.516 1.262 0.923 1.000 0.727 CA 1.947 12 residues pruned to eliminate duplicates Z: 12 29.158 2.144 0.971 0.860 1.000 0.909 CB 1.530 11 residues pruned to eliminate duplicates Z: 11 33.539 2.389 1.089 0.893 0.800 0.800 CB 1.908 10 residues pruned to eliminate duplicates Z: 13 39.294 2.364 1.359 0.856 1.000 0.833 CA 1.500 13 residues pruned to eliminate duplicates Z: 29 22.901 2.240 0.739 0.429 0.750 0.500 CB 1.595 29 residues pruned to eliminate duplicates Z: 13 21.753 2.233 0.934 0.689 0.750 0.583 CA 1.630 13 residues pruned to eliminate duplicates Z: 21 34.046 2.349 0.852 0.542 0.900 0.650 CB 1.867 4 residues pruned to eliminate duplicates Z: 83 62.544 2.273 1.070 0.489 0.890 0.634 CB 1.666 64 residues pruned to eliminate duplicates Z: 23 15.344 2.017 0.695 0.358 0.864 0.545 CB 1.293 Z: 12 22.012 1.968 0.928 0.851 1.000 0.636 CB 1.295 Z: 13 36.628 2.417 0.839 0.900 1.000 0.833 CB 1.699 13 residues pruned to eliminate duplicates Z: 36 45.151 2.390 1.078 0.521 0.914 0.514 CB 1.646 20 residues pruned to eliminate duplicates Z: 20 38.667 2.425 1.182 0.507 0.895 0.684 CA 1.861 20 residues pruned to eliminate duplicates Z: 16 35.337 2.281 1.031 0.878 0.867 0.667 CA 1.649 17 residues pruned to eliminate duplicates Z: 15 38.422 2.407 0.975 0.854 0.857 0.643 CA 1.860 15 residues pruned to eliminate duplicates Z: 8 23.807 2.423 1.130 0.810 0.857 0.571 CA 1.553 9 residues pruned to eliminate duplicates Z: 11 24.287 2.171 0.831 0.853 1.000 0.800 CA 1.428 11 residues pruned to eliminate duplicates Z: 44 44.843 2.305 0.957 0.494 0.907 0.488 CB 1.682 47 residues pruned to eliminate duplicates Z: 6 11.835 2.163 0.794 0.781 0.800 0.600 CA 1.331 6 residues pruned to eliminate duplicates Z: 16 56.650 2.637 1.003 0.878 1.000 0.800 CA 2.009 16 residues pruned to eliminate duplicates Z: 13 52.653 2.470 1.554 0.868 1.000 0.833 CB 1.761 27 residues pruned to eliminate duplicates Z: 10 38.644 2.502 0.883 0.925 1.000 1.000 CB 1.919 10 residues pruned to eliminate duplicates Z: 16 52.442 2.628 1.209 0.831 0.867 0.667 CA 2.023 16 residues pruned to eliminate duplicates Z: 11 28.995 2.197 0.781 0.897 1.000 1.000 CB 1.678 12 residues pruned to eliminate duplicates Z: 30 36.857 2.350 0.781 0.604 0.931 0.724 CB 1.590 30 residues pruned to eliminate duplicates Z: 11 23.661 2.270 1.052 0.675 0.900 0.400 CB 1.519 11 residues pruned to eliminate duplicates Z: 7 14.824 2.315 1.082 0.570 0.667 0.667 CB 1.760 7 residues pruned to eliminate duplicates Z: 19 12.375 1.985 0.489 0.303 0.778 0.556 CB 1.579 10 residues pruned to eliminate duplicates Z: 26 20.307 2.175 0.672 0.461 0.800 0.680 CB 1.452 26 residues pruned to eliminate duplicates Z: 13 39.159 2.350 1.178 0.864 1.000 0.833 CB 1.619 13 residues pruned to eliminate duplicates Z: 14 40.390 2.386 1.079 0.866 0.923 0.769 CA 1.791 14 residues pruned to eliminate duplicates Z: 9 28.789 2.265 1.020 0.869 1.000 0.750 CA 1.626 9 residues pruned to eliminate duplicates Z: 41 42.873 2.373 0.922 0.514 0.925 0.525 CB 1.585 27 residues pruned to eliminate duplicates Z: 15 29.215 2.263 0.839 0.907 0.929 0.714 CB 1.436 15 residues pruned to eliminate duplicates Z: 50 55.106 2.309 1.071 0.557 0.878 0.531 CA 1.775 24 residues pruned to eliminate duplicates Z: 20 16.082 2.073 0.469 0.392 0.895 0.632 CB 1.518 7 residues pruned to eliminate duplicates Z: 17 41.303 2.290 1.126 0.851 1.000 0.562 CA 1.571 17 residues pruned to eliminate duplicates Z: 9 19.766 1.950 0.724 0.869 1.000 0.750 CA 1.520 9 residues pruned to eliminate duplicates Z: 21 37.913 2.367 1.300 0.458 0.900 0.550 CB 1.806 20 residues pruned to eliminate duplicates Z: 6 6.068 2.070 0.606 0.753 0.400 0.400 O 1.629 6 residues pruned to eliminate duplicates Z: 7 14.973 1.979 1.162 0.818 0.667 0.667 CA 1.626 7 residues pruned to eliminate duplicates Z: 28 23.029 2.127 0.773 0.434 0.852 0.556 CB 1.477 27 residues pruned to eliminate duplicates Z: 7 13.738 2.236 0.591 0.745 1.000 0.833 CA 1.266 8 residues pruned to eliminate duplicates Z: 13 25.565 2.327 0.621 0.856 1.000 0.917 CA 1.443 13 residues pruned to eliminate duplicates Z: 16 40.892 2.332 0.899 0.861 1.000 0.800 CA 1.752 16 residues pruned to eliminate duplicates Z: 15 29.898 2.223 0.686 0.905 1.000 0.857 CA 1.517 15 residues pruned to eliminate duplicates Z: 7 7.157 1.514 0.991 0.596 0.833 0.500 CA 1.062 7 residues pruned to eliminate duplicates Z: 35 36.617 2.229 1.175 0.486 0.882 0.559 CB 1.489 35 residues pruned to eliminate duplicates Z: 9 6.724 1.948 0.719 0.327 0.625 0.625 CB 1.374 Z: 10 24.635 2.117 0.830 0.912 1.000 0.889 CA 1.500 10 residues pruned to eliminate duplicates Z: 12 41.439 2.403 1.461 0.870 0.909 0.818 CB 1.696 12 residues pruned to eliminate duplicates Z: 14 31.343 2.103 0.719 0.931 1.000 0.923 CA 1.681 14 residues pruned to eliminate duplicates Z: 17 20.764 2.351 0.537 0.347 0.938 0.688 CB 1.809 Z: 12 48.643 2.405 1.482 0.901 1.000 0.909 CB 1.754 12 residues pruned to eliminate duplicates Z: 27 36.395 2.339 0.853 0.490 0.923 0.462 CB 1.802 27 residues pruned to eliminate duplicates Z: 12 19.590 2.160 0.714 0.472 1.000 0.727 CB 1.641 12 residues pruned to eliminate duplicates Z: 19 39.169 2.175 0.787 0.867 1.000 0.778 CB 1.738 19 residues pruned to eliminate duplicates Z: 16 35.013 2.288 0.999 0.888 0.867 0.800 CA 1.644 16 residues pruned to eliminate duplicates Z: 18 37.181 2.200 0.784 0.868 1.000 0.588 CB 1.680 18 residues pruned to eliminate duplicates Z: 41 42.019 2.262 0.979 0.524 0.925 0.575 CB 1.567 29 residues pruned to eliminate duplicates Z: 25 13.143 2.046 0.711 0.313 0.792 0.583 CB 1.190 Z: 12 18.733 2.120 0.334 0.926 1.000 1.000 CA 1.401 12 residues pruned to eliminate duplicates Z: 29 28.238 2.290 1.040 0.400 0.786 0.357 CB 1.615 29 residues pruned to eliminate duplicates Z: 36 30.255 2.189 0.848 0.488 0.829 0.486 CB 1.544 36 residues pruned to eliminate duplicates Z: 16 22.333 2.187 0.738 0.489 0.867 0.400 CB 1.770 16 residues pruned to eliminate duplicates Z: 11 32.223 2.418 1.224 0.629 0.900 0.100 CB 1.865 11 residues pruned to eliminate duplicates Z: 12 25.908 2.125 1.031 0.864 1.000 1.000 CA 1.327 12 residues pruned to eliminate duplicates Z: 30 35.964 2.279 0.875 0.533 0.931 0.655 CB 1.626 36 residues pruned to eliminate duplicates Z: 16 46.661 2.279 1.199 0.878 1.000 0.667 CB 1.744 16 residues pruned to eliminate duplicates Z: 11 24.871 2.432 0.838 0.521 1.000 0.900 CA 1.723 11 residues pruned to eliminate duplicates Z: 13 15.173 2.015 1.015 0.394 0.750 0.500 CA 1.610 13 residues pruned to eliminate duplicates Z: 17 32.061 2.180 0.846 0.889 0.938 0.688 CA 1.529 17 residues pruned to eliminate duplicates Z: 18 18.629 2.082 1.032 0.424 0.824 0.588 CB 1.404 18 residues pruned to eliminate duplicates Z: 93 64.201 2.336 0.982 0.479 0.891 0.500 CB 1.657 77 residues pruned to eliminate duplicates Z: 12 16.781 1.789 0.658 0.808 0.909 0.909 CA 1.435 12 residues pruned to eliminate duplicates Z: 16 41.007 2.317 0.908 0.869 1.000 0.533 CA 1.750 16 residues pruned to eliminate duplicates Z: 8 12.844 2.074 0.923 0.565 0.714 0.714 N 1.599 Z: 85 57.372 2.321 0.929 0.487 0.869 0.571 CB 1.631 61 residues pruned to eliminate duplicates Z: 26 19.875 2.195 0.707 0.401 0.760 0.520 CB 1.549 27 residues pruned to eliminate duplicates Z: 37 38.559 2.308 0.813 0.549 0.889 0.556 CB 1.647 25 residues pruned to eliminate duplicates Z: 26 17.966 2.085 0.559 0.379 0.880 0.560 CB 1.429 51 residues pruned to eliminate duplicates Z: 12 11.056 1.943 0.835 0.421 0.818 0.545 CB 1.240 Z: 45 30.012 2.142 0.793 0.399 0.864 0.477 CB 1.518 39 residues pruned to eliminate duplicates Z: 108 76.328 2.366 1.066 0.509 0.879 0.551 CB 1.703 132 residues pruned to eliminate duplicates Z: 17 49.330 2.345 1.110 0.877 1.000 0.562 CB 1.811 17 residues pruned to eliminate duplicates Z: 12 20.647 1.797 1.037 0.887 1.000 0.818 CB 1.226 12 residues pruned to eliminate duplicates Z: 40 47.270 2.311 1.084 0.551 0.846 0.564 CB 1.766 43 residues pruned to eliminate duplicates Z: 12 23.422 2.004 1.134 0.841 0.909 0.818 CB 1.355 12 residues pruned to eliminate duplicates Z: 29 24.727 2.177 0.639 0.494 0.893 0.571 CB 1.475 12 residues pruned to eliminate duplicates Z: 14 35.838 2.332 0.911 0.910 1.000 0.769 CA 1.582 14 residues pruned to eliminate duplicates Z: 10 13.546 1.832 0.670 0.840 0.889 0.778 CB 1.239 10 residues pruned to eliminate duplicates Z: 17 43.373 2.334 1.084 0.821 0.938 0.562 CA 1.800 17 residues pruned to eliminate duplicates Z: 15 35.773 2.360 0.800 0.862 1.000 0.857 CB 1.652 15 residues pruned to eliminate duplicates Z: 16 46.693 2.374 0.969 0.891 1.000 0.800 CB 1.855 16 residues pruned to eliminate duplicates Z: 15 28.562 2.278 0.799 0.870 0.929 0.857 CA 1.464 15 residues pruned to eliminate duplicates Z: 11 20.104 2.028 1.059 0.829 0.900 0.600 CA 1.272 11 residues pruned to eliminate duplicates Z: 16 57.527 2.601 1.303 0.859 0.933 0.533 CA 1.955 16 residues pruned to eliminate duplicates Z: 15 39.540 2.426 0.800 0.861 1.000 0.857 CA 1.778 15 residues pruned to eliminate duplicates Z: 18 44.351 2.405 1.003 0.848 0.941 0.706 CB 1.759 18 residues pruned to eliminate duplicates Z: 17 18.993 2.265 0.497 0.452 0.938 0.562 CA 1.569 17 residues pruned to eliminate duplicates Z: 10 11.728 2.372 0.284 0.384 0.889 0.667 CB 1.634 10 residues pruned to eliminate duplicates Z: 13 29.566 2.410 0.799 0.890 0.917 0.750 CB 1.546 13 residues pruned to eliminate duplicates Z: 15 32.062 2.318 1.057 0.550 1.000 0.571 CA 1.710 15 residues pruned to eliminate duplicates Z: 6 13.501 2.030 1.221 0.748 0.800 0.400 CB 1.342 6 residues pruned to eliminate duplicates Z: 39 20.778 2.213 0.680 0.340 0.763 0.395 CB 1.416 39 residues pruned to eliminate duplicates Z: 17 46.368 2.331 1.143 0.858 0.938 0.688 CB 1.822 17 residues pruned to eliminate duplicates Z: 14 21.310 1.871 0.708 0.925 1.000 0.846 CB 1.297 Z: 27 41.024 2.452 1.020 0.541 0.923 0.500 CB 1.690 28 residues pruned to eliminate duplicates Z: 12 18.763 2.074 0.437 0.856 1.000 0.727 CB 1.400 12 residues pruned to eliminate duplicates Z: 15 18.988 2.164 0.426 0.835 0.714 0.643 N 1.724 15 residues pruned to eliminate duplicates Z: 15 37.224 2.293 1.007 0.890 1.000 0.786 CA 1.556 15 residues pruned to eliminate duplicates Z: 9 17.161 2.270 0.966 0.454 0.875 0.875 CA 1.628 17 residues pruned to eliminate duplicates Z: 8 28.492 2.218 1.229 0.884 0.857 0.571 CA 1.836 8 residues pruned to eliminate duplicates Z: 25 17.950 2.087 0.950 0.304 0.708 0.458 CB 1.582 25 residues pruned to eliminate duplicates Z: 12 37.268 2.456 0.798 0.927 1.000 0.909 CA 1.783 12 residues pruned to eliminate duplicates Z: 29 39.714 2.385 0.856 0.577 0.964 0.571 CB 1.633 29 residues pruned to eliminate duplicates Z: 17 38.176 2.277 1.116 0.844 0.938 0.688 CA 1.572 17 residues pruned to eliminate duplicates Z: 15 52.439 2.510 1.208 0.888 1.000 0.714 CA 1.822 15 residues pruned to eliminate duplicates Z: 18 24.022 2.282 0.852 0.557 0.941 0.471 CB 1.386 18 residues pruned to eliminate duplicates Z: 12 20.185 2.017 0.557 0.895 1.000 0.909 CB 1.389 12 residues pruned to eliminate duplicates Z: 13 26.946 2.276 1.039 0.650 0.917 0.750 CA 1.589 13 residues pruned to eliminate duplicates Z: 32 20.124 2.135 0.833 0.364 0.742 0.484 CB 1.442 34 residues pruned to eliminate duplicates Z: 12 26.412 2.187 0.596 0.923 1.000 0.818 CA 1.603 12 residues pruned to eliminate duplicates Z: 8 19.595 2.479 0.591 0.722 0.857 0.286 CB 1.793 8 residues pruned to eliminate duplicates Z: 30 36.490 2.361 0.847 0.566 0.931 0.552 CB 1.566 30 residues pruned to eliminate duplicates Z: 14 35.024 2.314 1.026 0.862 1.000 0.615 CA 1.522 14 residues pruned to eliminate duplicates Z: 11 21.235 2.124 0.587 0.852 1.000 0.700 CB 1.473 11 residues pruned to eliminate duplicates Z: 8 17.489 2.141 0.499 0.788 1.000 0.714 CA 1.599 8 residues pruned to eliminate duplicates Z: 67 62.924 2.335 1.017 0.558 0.924 0.500 CB 1.682 67 residues pruned to eliminate duplicates Z: 17 39.334 2.291 0.861 0.900 1.000 0.625 CA 1.647 17 residues pruned to eliminate duplicates Z: 15 31.633 2.274 0.993 0.844 0.929 0.571 CA 1.495 15 residues pruned to eliminate duplicates Z: 6 12.020 1.753 0.959 0.841 1.000 0.800 CA 1.167 6 residues pruned to eliminate duplicates Z: 15 33.011 2.277 0.955 0.866 1.000 0.571 CA 1.452 15 residues pruned to eliminate duplicates Z: 15 42.373 2.284 1.093 0.866 1.000 0.857 CA 1.735 15 residues pruned to eliminate duplicates Z: 6 17.275 2.083 0.656 0.836 1.000 0.600 N 1.677 6 residues pruned to eliminate duplicates Z: 62 52.643 2.389 0.935 0.465 0.869 0.541 CB 1.740 62 residues pruned to eliminate duplicates Z: 16 19.838 2.293 0.832 0.417 0.867 0.467 CB 1.534 Z: 9 13.859 2.013 0.730 0.875 0.625 0.375 CB 1.638 9 residues pruned to eliminate duplicates Z: 10 15.211 1.764 0.919 0.906 0.889 0.556 N 1.199 10 residues pruned to eliminate duplicates Z: 16 49.684 2.389 1.173 0.876 1.000 0.867 CA 1.796 16 residues pruned to eliminate duplicates Z: 7 6.883 1.900 1.199 0.328 0.667 0.167 N 1.218 7 residues pruned to eliminate duplicates Z: 6 6.793 2.022 0.440 0.660 0.600 0.400 CA 1.499 6 residues pruned to eliminate duplicates Z: 12 29.806 2.047 1.019 0.925 1.000 1.000 CB 1.526 14 residues pruned to eliminate duplicates Z: 74 50.290 2.303 0.923 0.448 0.863 0.438 CB 1.624 74 residues pruned to eliminate duplicates Z: 12 25.405 2.185 0.971 0.906 1.000 1.000 CA 1.265 12 residues pruned to eliminate duplicates Z: 14 9.748 2.101 0.317 0.290 0.923 0.538 CB 1.340 Z: 57 49.165 2.349 0.986 0.429 0.857 0.411 CA 1.768 57 residues pruned to eliminate duplicates Z: 39 28.703 2.195 0.792 0.402 0.921 0.579 CB 1.425 39 residues pruned to eliminate duplicates Z: 63 39.604 2.183 0.932 0.450 0.855 0.500 CB 1.469 63 residues pruned to eliminate duplicates Z: 13 9.068 2.113 0.435 0.365 0.750 0.667 CB 1.331 13 residues pruned to eliminate duplicates Z: 91 72.293 2.380 1.107 0.513 0.878 0.522 CB 1.709 95 residues pruned to eliminate duplicates Z: 15 28.029 2.386 0.420 0.815 0.929 0.571 CB 1.812 15 residues pruned to eliminate duplicates Z: 35 37.133 2.286 0.946 0.503 0.882 0.559 CB 1.618 35 residues pruned to eliminate duplicates Z: 15 33.135 2.309 0.912 0.894 0.929 0.786 CA 1.550 15 residues pruned to eliminate duplicates Z: 7 5.999 1.648 0.820 0.371 0.833 0.667 CA 1.124 Z: 7 6.377 1.887 1.416 0.378 0.667 0.500 CB 0.975 Z: 9 14.512 2.192 0.800 0.672 0.625 0.375 CB 1.776 9 residues pruned to eliminate duplicates Z: 11 19.924 2.126 0.499 0.834 1.000 0.900 CB 1.481 11 residues pruned to eliminate duplicates Z: 11 28.028 2.170 1.113 0.894 1.000 0.600 CA 1.386 11 residues pruned to eliminate duplicates Z: 84 79.147 2.393 1.083 0.561 0.916 0.506 CB 1.794 84 residues pruned to eliminate duplicates Z: 14 29.483 2.256 0.861 0.919 0.923 0.769 CB 1.487 14 residues pruned to eliminate duplicates Z: 13 27.501 2.166 0.845 0.892 0.917 0.917 CB 1.557 13 residues pruned to eliminate duplicates Z: 76 55.634 2.310 0.971 0.482 0.880 0.400 CB 1.633 76 residues pruned to eliminate duplicates Z: 13 13.174 2.054 0.494 0.412 1.000 0.583 CB 1.360 5 residues pruned to eliminate duplicates Z: 12 24.736 2.033 1.123 0.891 0.909 0.818 CA 1.367 12 residues pruned to eliminate duplicates Z: 15 12.711 2.076 0.764 0.436 0.714 0.429 CB 1.388 15 residues pruned to eliminate duplicates Z: 8 7.934 1.910 0.539 0.661 0.714 0.714 CA 1.231 8 residues pruned to eliminate duplicates Z: 13 37.076 2.369 1.094 0.926 0.917 0.833 CB 1.651 13 residues pruned to eliminate duplicates Z: 7 8.001 2.384 0.804 0.397 0.500 0.500 CA 1.694 7 residues pruned to eliminate duplicates Z: 23 25.604 2.230 0.907 0.465 0.818 0.545 CB 1.625 23 residues pruned to eliminate duplicates Z: 26 19.662 2.130 0.797 0.397 0.720 0.440 CB 1.590 26 residues pruned to eliminate duplicates Z: 11 29.177 2.240 0.882 0.910 1.000 1.000 CA 1.553 11 residues pruned to eliminate duplicates Z: 20 15.419 2.102 0.621 0.338 0.895 0.368 CB 1.385 20 residues pruned to eliminate duplicates Z: 76 59.858 2.313 1.039 0.474 0.907 0.493 CB 1.659 76 residues pruned to eliminate duplicates Z: 12 41.190 2.427 1.321 0.943 0.909 0.909 CA 1.681 12 residues pruned to eliminate duplicates Z: 12 19.311 2.335 0.798 0.545 0.818 0.273 CA 1.622 12 residues pruned to eliminate duplicates Z: 66 67.718 2.390 1.006 0.545 0.954 0.538 CB 1.758 66 residues pruned to eliminate duplicates Z: 7 4.381 1.690 0.769 0.394 0.667 0.500 CB 1.003 7 residues pruned to eliminate duplicates Z: 20 17.212 2.073 0.735 0.459 0.842 0.579 CB 1.360 20 residues pruned to eliminate duplicates Z: 10 37.608 2.301 1.273 0.904 1.000 0.556 CA 1.708 10 residues pruned to eliminate duplicates Z: 21 30.911 2.186 1.081 0.589 0.900 0.600 CB 1.550 21 residues pruned to eliminate duplicates Z: 8 4.025 1.761 0.338 0.281 0.571 0.429 N 1.447 Z: 25 30.027 2.114 1.032 0.585 0.917 0.667 CB 1.436 17 residues pruned to eliminate duplicates Z: 12 18.725 2.026 0.681 0.885 1.000 0.818 CA 1.197 12 residues pruned to eliminate duplicates Z: 13 21.600 2.049 0.600 0.885 1.000 0.833 CA 1.373 13 residues pruned to eliminate duplicates Z: 13 29.715 2.072 1.042 0.814 1.000 0.583 CA 1.544 13 residues pruned to eliminate duplicates Z: 12 21.778 2.312 0.495 0.897 0.909 0.909 CA 1.496 12 residues pruned to eliminate duplicates Z: 14 40.690 2.156 1.399 0.889 0.923 0.692 CB 1.702 14 residues pruned to eliminate duplicates Z: 6 2.736 1.621 0.654 0.269 0.600 0.400 CA 0.990 Z: 17 37.750 2.228 1.070 0.884 0.938 0.812 CB 1.578 17 residues pruned to eliminate duplicates Z: 20 27.970 2.263 1.066 0.458 0.842 0.474 CA 1.700 20 residues pruned to eliminate duplicates Z: 13 31.545 2.345 0.672 0.902 0.917 0.833 CB 1.806 13 residues pruned to eliminate duplicates Z: 13 35.013 2.272 0.916 0.937 1.000 0.917 CB 1.616 13 residues pruned to eliminate duplicates Z: 16 22.390 2.124 0.737 0.522 0.933 0.467 CB 1.643 Z: 42 46.942 2.399 0.999 0.479 0.902 0.659 CB 1.731 42 residues pruned to eliminate duplicates Z: 135 75.537 2.341 0.942 0.459 0.881 0.470 CB 1.700 135 residues pruned to eliminate duplicates 10 1.745 1.750 -0.080 0.217 0.556 0.222 CB 0.908 ? Z: 49 64.360 2.451 1.172 0.542 0.917 0.396 CB 1.827 49 residues pruned to eliminate duplicates Z: 65 48.181 2.243 0.923 0.411 0.875 0.422 CB 1.751 65 residues pruned to eliminate duplicates Z: 14 50.327 2.431 1.243 0.861 1.000 0.769 CA 1.881 14 residues pruned to eliminate duplicates Z: 11 20.492 2.200 0.639 0.895 1.000 0.900 CA 1.288 11 residues pruned to eliminate duplicates Z: 13 7.832 1.787 0.804 0.289 0.667 0.333 O 1.334 13 residues pruned to eliminate duplicates Z: 12 22.834 2.005 0.764 0.842 1.000 0.545 CB 1.450 12 residues pruned to eliminate duplicates Z: 7 8.225 1.722 0.713 0.472 0.833 0.333 N 1.406 7 residues pruned to eliminate duplicates Z: 9 12.277 2.061 1.069 0.489 0.875 0.500 CB 1.176 9 residues pruned to eliminate duplicates Z: 30 33.677 2.178 0.892 0.608 0.931 0.655 CB 1.472 30 residues pruned to eliminate duplicates Z: 44 25.107 2.223 0.722 0.403 0.814 0.488 CB 1.360 44 residues pruned to eliminate duplicates Z: 67 58.400 2.353 0.982 0.499 0.894 0.561 CB 1.726 67 residues pruned to eliminate duplicates Z: 8 4.452 2.005 0.146 0.440 0.571 0.571 CA 1.363 8 residues pruned to eliminate duplicates Z: 17 36.062 2.372 0.918 0.879 0.875 0.875 CB 1.643 17 residues pruned to eliminate duplicates Z: 7 16.545 2.011 0.826 0.797 0.833 0.500 CB 1.701 7 residues pruned to eliminate duplicates Z: 78 63.178 2.354 0.958 0.482 0.909 0.584 CB 1.750 78 residues pruned to eliminate duplicates Z: 16 40.687 2.367 0.866 0.859 0.933 0.800 CA 1.874 16 residues pruned to eliminate duplicates Z: 48 50.653 2.424 0.983 0.519 0.851 0.574 CB 1.773 48 residues pruned to eliminate duplicates Z: 43 48.434 2.456 0.972 0.529 0.881 0.548 CB 1.703 40 residues pruned to eliminate duplicates Z: 15 6.824 1.808 0.848 0.321 0.857 0.429 CB 0.775 Z: 29 26.179 2.114 0.660 0.530 0.929 0.536 CB 1.474 29 residues pruned to eliminate duplicates Z: 42 42.257 2.354 0.773 0.487 0.951 0.610 CB 1.684 42 residues pruned to eliminate duplicates Z: 64 58.249 2.355 1.045 0.492 0.873 0.444 CB 1.759 64 residues pruned to eliminate duplicates Z: 14 25.228 1.847 1.195 0.912 0.923 0.923 CB 1.324 13 residues pruned to eliminate duplicates Z: 16 14.577 2.123 0.694 0.310 0.867 0.667 CB 1.491 12 residues pruned to eliminate duplicates Z: 6 11.252 2.035 0.832 0.852 0.800 0.600 CB 1.248 6 residues pruned to eliminate duplicates Z: 41 31.876 2.149 0.841 0.468 0.925 0.575 CB 1.422 41 residues pruned to eliminate duplicates Z: 43 48.231 2.370 1.144 0.511 0.857 0.571 CB 1.691 43 residues pruned to eliminate duplicates Z: 25 23.782 2.244 0.770 0.464 0.792 0.625 CB 1.601 25 residues pruned to eliminate duplicates Z: 49 34.586 2.220 0.867 0.456 0.792 0.542 CB 1.591 49 residues pruned to eliminate duplicates Z: 8 19.086 2.243 0.727 0.895 0.714 0.429 CA 1.868 8 residues pruned to eliminate duplicates Z: 22 25.944 2.140 0.767 0.587 0.905 0.667 CB 1.522 22 residues pruned to eliminate duplicates Z: 90 56.044 2.300 0.825 0.482 0.843 0.551 CB 1.711 90 residues pruned to eliminate duplicates Z: 41 30.541 2.221 0.834 0.428 0.850 0.525 CB 1.502 126 residues pruned to eliminate duplicates Z: 48 37.345 2.326 0.762 0.477 0.830 0.489 CB 1.640 Z: 10 19.178 2.274 0.696 0.534 1.000 0.778 CA 1.603 10 residues pruned to eliminate duplicates Z: 29 36.137 2.326 0.896 0.572 0.857 0.571 CB 1.686 29 residues pruned to eliminate duplicates Z: 22 33.299 2.327 1.160 0.437 0.905 0.524 CB 1.705 22 residues pruned to eliminate duplicates Z: 11 9.793 1.847 0.499 0.352 0.900 0.500 CB 1.458 11 residues pruned to eliminate duplicates Z: 15 22.862 2.118 0.958 0.512 0.857 0.429 CB 1.698 15 residues pruned to eliminate duplicates Z: 11 26.756 2.249 0.890 0.897 0.900 0.900 CA 1.584 11 residues pruned to eliminate duplicates Z: 28 24.717 2.272 0.817 0.453 0.778 0.630 CB 1.555 28 residues pruned to eliminate duplicates Z: 16 46.201 2.472 0.892 0.855 1.000 0.600 CA 1.881 16 residues pruned to eliminate duplicates Z: 60 61.349 2.420 1.031 0.544 0.915 0.542 CB 1.701 60 residues pruned to eliminate duplicates Z: 40 25.941 2.079 0.785 0.470 0.872 0.513 CB 1.323 40 residues pruned to eliminate duplicates Z: 16 16.544 2.142 0.754 0.513 0.667 0.467 CB 1.684 16 residues pruned to eliminate duplicates Z: 16 25.190 1.953 0.958 0.826 0.867 0.733 CA 1.480 16 residues pruned to eliminate duplicates Z: 15 40.854 2.364 0.964 0.859 1.000 0.714 CA 1.730 17 residues pruned to eliminate duplicates Z: 12 46.505 2.460 1.237 0.928 1.000 0.818 CA 1.784 12 residues pruned to eliminate duplicates Z: 15 26.629 2.271 0.634 0.888 0.929 0.643 CA 1.488 15 residues pruned to eliminate duplicates Z: 13 16.264 2.013 0.348 0.833 1.000 0.750 CB 1.298 13 residues pruned to eliminate duplicates Z: 56 51.786 2.342 1.000 0.518 0.909 0.473 CB 1.611 46 residues pruned to eliminate duplicates Z: 22 30.854 2.355 0.886 0.481 0.857 0.571 CB 1.803 22 residues pruned to eliminate duplicates Z: 27 26.204 2.240 0.766 0.459 0.923 0.654 CB 1.468 83 residues pruned to eliminate duplicates Z: 9 17.803 2.257 1.069 0.506 0.750 0.625 CA 1.785 9 residues pruned to eliminate duplicates Z: 54 59.182 2.351 1.141 0.548 0.943 0.604 CB 1.635 Z: 7 7.464 1.730 0.885 0.609 0.667 0.333 O 1.264 7 residues pruned to eliminate duplicates Z: 16 28.590 2.234 0.657 0.850 0.933 0.733 CA 1.583 16 residues pruned to eliminate duplicates Z: 16 18.995 2.254 0.846 0.413 0.867 0.400 CB 1.489 16 residues pruned to eliminate duplicates Z: 22 34.130 2.216 1.008 0.559 0.905 0.524 CB 1.747 22 residues pruned to eliminate duplicates Z: 9 2.915 1.822 0.142 0.469 0.875 0.375 CB 0.585 Z: 15 35.488 2.278 0.966 0.906 1.000 0.857 CB 1.507 15 residues pruned to eliminate duplicates Z: 32 39.953 2.468 1.016 0.494 0.903 0.516 CB 1.606 32 residues pruned to eliminate duplicates Z: 14 8.328 1.750 0.567 0.316 0.769 0.462 CB 1.342 Z: 8 2.478 1.841 0.337 0.269 0.857 0.429 CB 0.577 Z: 22 18.128 2.227 0.733 0.399 0.810 0.524 CB 1.408 22 residues pruned to eliminate duplicates Z: 38 37.378 2.264 0.773 0.584 0.919 0.649 CB 1.537 37 residues pruned to eliminate duplicates Z: 12 13.224 1.804 0.836 0.428 0.909 0.364 CB 1.427 12 residues pruned to eliminate duplicates Z: 60 43.510 2.175 0.830 0.546 0.915 0.644 CB 1.486 62 residues pruned to eliminate duplicates Z: 17 10.330 1.751 0.712 0.312 0.750 0.438 CB 1.414 17 residues pruned to eliminate duplicates Z: 9 7.210 1.851 0.156 0.465 0.875 0.500 CB 1.411 Z: 11 10.715 2.146 0.843 0.293 0.800 0.400 CB 1.350 11 residues pruned to eliminate duplicates Z: 17 43.097 2.356 1.159 0.813 0.875 0.500 CA 1.844 17 residues pruned to eliminate duplicates Z: 19 18.304 2.097 0.662 0.458 0.833 0.556 CB 1.550 19 residues pruned to eliminate duplicates Z: 13 28.910 2.226 0.719 0.882 1.000 0.833 CA 1.578 13 residues pruned to eliminate duplicates Z: 22 48.604 2.405 1.007 0.768 0.952 0.857 CB 1.821 22 residues pruned to eliminate duplicates Z: 14 12.943 2.089 0.751 0.298 0.923 0.615 CB 1.333 13 residues pruned to eliminate duplicates Z: 17 36.537 2.268 0.995 0.887 0.938 0.812 CB 1.552 18 residues pruned to eliminate duplicates Z: 13 17.407 1.947 0.778 0.829 0.917 0.667 CA 1.191 13 residues pruned to eliminate duplicates Z: 47 27.750 2.179 0.856 0.353 0.783 0.457 CB 1.515 47 residues pruned to eliminate duplicates Z: 6 6.543 2.020 0.861 0.496 0.600 0.400 CB 1.303 Z: 63 44.246 2.302 0.886 0.510 0.855 0.468 CB 1.500 116 residues pruned to eliminate duplicates Z: 14 10.747 1.927 0.589 0.386 0.923 0.615 CB 1.190 14 residues pruned to eliminate duplicates Z: 15 20.782 2.218 0.620 0.870 0.857 0.786 CA 1.317 15 residues pruned to eliminate duplicates Z: 32 33.122 2.187 0.941 0.546 0.903 0.613 CB 1.482 Z: 9 9.310 1.860 0.827 0.380 0.875 0.375 CB 1.258 9 residues pruned to eliminate duplicates Z: 7 5.929 1.885 0.515 0.779 0.833 0.500 CA 0.795 7 residues pruned to eliminate duplicates Z: 14 14.854 2.004 0.661 0.526 0.923 0.692 CB 1.307 15 residues pruned to eliminate duplicates Z: 58 44.038 2.346 0.851 0.420 0.860 0.439 CB 1.699 58 residues pruned to eliminate duplicates Z: 69 49.475 2.273 0.952 0.494 0.809 0.456 CB 1.682 69 residues pruned to eliminate duplicates Z: 24 23.623 2.243 0.979 0.348 0.783 0.391 CB 1.671 24 residues pruned to eliminate duplicates Z: 7 4.773 1.996 0.499 0.341 0.667 0.667 CB 1.162 7 residues pruned to eliminate duplicates Z: 8 18.045 2.245 0.897 0.736 0.714 0.571 N 1.814 8 residues pruned to eliminate duplicates Z: 11 17.715 2.027 0.312 0.911 1.000 1.000 CB 1.493 11 residues pruned to eliminate duplicates Z: 9 10.716 1.984 0.478 0.480 0.875 0.375 CB 1.507 Z: 11 10.020 1.778 0.663 0.611 0.900 0.600 CB 1.073 11 residues pruned to eliminate duplicates Z: 6 6.607 2.154 0.857 0.412 0.600 0.400 CB 1.350 Z: 15 15.468 2.398 0.458 0.403 0.786 0.357 CA 1.667 15 residues pruned to eliminate duplicates Z: 13 30.951 2.391 0.957 0.889 0.917 0.500 CB 1.499 13 residues pruned to eliminate duplicates Z: 9 11.091 2.101 0.228 0.633 0.875 0.375 N 1.533 Z: 6 8.449 1.831 0.575 0.812 0.800 0.800 CB 1.248 6 residues pruned to eliminate duplicates Z: 46 51.084 2.405 1.047 0.546 0.911 0.444 CB 1.623 46 residues pruned to eliminate duplicates Z: 39 38.654 2.171 0.859 0.582 0.895 0.553 CB 1.606 39 residues pruned to eliminate duplicates Z: 11 15.878 1.849 0.703 0.927 1.000 0.900 CB 1.118 11 residues pruned to eliminate duplicates Z: 15 30.414 2.228 1.117 0.881 0.929 0.500 CB 1.344 15 residues pruned to eliminate duplicates Z: 66 60.187 2.386 1.021 0.535 0.892 0.523 CB 1.677 66 residues pruned to eliminate duplicates Z: 9 9.647 1.680 0.708 0.691 0.750 0.625 CB 1.330 9 residues pruned to eliminate duplicates Z: 33 37.910 2.336 0.936 0.514 0.906 0.469 CB 1.612 33 residues pruned to eliminate duplicates Z: 11 28.027 2.147 0.826 0.860 1.000 0.900 CB 1.662 11 residues pruned to eliminate duplicates Z: 13 27.294 2.145 0.609 0.920 1.000 0.750 CA 1.607 13 residues pruned to eliminate duplicates Z: 32 35.096 2.254 1.013 0.484 0.839 0.548 CB 1.684 32 residues pruned to eliminate duplicates Z: 9 10.444 2.309 0.385 0.408 0.875 0.375 CB 1.453 9 residues pruned to eliminate duplicates Z: 67 57.032 2.276 0.988 0.523 0.894 0.530 CB 1.697 67 residues pruned to eliminate duplicates Z: 8 21.035 1.968 0.921 0.908 1.000 0.857 CA 1.494 Z: 6 9.844 2.350 0.308 0.645 0.800 0.600 CB 1.564 7 residues pruned to eliminate duplicates Z: 12 45.408 2.237 1.823 0.855 0.909 0.727 CB 1.760 12 residues pruned to eliminate duplicates Z: 11 21.927 2.148 0.551 0.897 1.000 1.000 CA 1.490 11 residues pruned to eliminate duplicates Z: 23 21.551 2.135 0.894 0.413 0.818 0.455 CB 1.521 23 residues pruned to eliminate duplicates Z: 16 42.521 2.342 0.846 0.859 1.000 0.733 CA 1.869 16 residues pruned to eliminate duplicates Z: 8 16.336 2.099 0.945 0.723 0.857 0.857 CB 1.442 Z: 14 36.674 2.242 1.242 0.865 0.923 0.846 CB 1.607 14 residues pruned to eliminate duplicates Z: 8 13.544 2.098 0.622 0.533 0.857 0.429 CB 1.699 8 residues pruned to eliminate duplicates Z: 45 50.790 2.433 1.095 0.548 0.909 0.523 CB 1.577 45 residues pruned to eliminate duplicates Z: 29 33.388 2.166 0.858 0.595 0.929 0.607 CB 1.543 29 residues pruned to eliminate duplicates Z: 7 6.309 1.987 0.479 0.410 0.667 0.500 CB 1.445 Z: 8 16.578 1.987 0.812 0.603 1.000 0.571 CB 1.578 Z: 61 60.014 2.338 0.891 0.584 0.917 0.483 CB 1.763 61 residues pruned to eliminate duplicates Z: 10 11.046 1.993 0.865 0.467 0.778 0.556 CB 1.317 13 residues pruned to eliminate duplicates Z: 10 9.053 1.742 0.570 0.480 0.889 0.667 CB 1.266 Z: 29 25.843 2.167 0.792 0.450 0.929 0.607 CB 1.426 31 residues pruned to eliminate duplicates Z: 23 41.836 2.347 1.118 0.659 0.955 0.682 CB 1.623 23 residues pruned to eliminate duplicates Z: 8 7.651 2.018 0.489 0.490 0.857 0.571 CB 1.134 Z: 15 21.208 2.269 0.902 0.433 0.857 0.714 CB 1.643 15 residues pruned to eliminate duplicates Z: 12 27.299 2.013 0.985 0.860 1.000 0.818 CB 1.515 12 residues pruned to eliminate duplicates Z: 9 21.909 1.982 1.142 0.864 1.000 0.750 CA 1.338 9 residues pruned to eliminate duplicates Z: 6 3.428 1.841 0.223 0.300 0.800 0.600 CB 1.064 Z: 9 8.458 1.940 0.499 0.418 0.875 0.625 CB 1.279 9 residues pruned to eliminate duplicates Z: 19 9.745 1.965 0.689 0.338 0.722 0.611 CB 1.143 19 residues pruned to eliminate duplicates Z: 7 9.670 1.998 0.486 0.486 1.000 1.000 CB 1.348 7 residues pruned to eliminate duplicates Z: 27 34.086 2.117 0.973 0.587 0.923 0.654 CB 1.595 27 residues pruned to eliminate duplicates Z: 9 6.525 1.946 0.546 0.572 0.500 0.375 CB 1.431 Z: 23 21.819 2.176 0.751 0.479 0.864 0.409 CB 1.445 23 residues pruned to eliminate duplicates Z: 12 24.371 2.161 0.551 0.925 1.000 1.000 CA 1.538 12 residues pruned to eliminate duplicates Z: 10 7.557 1.855 0.669 0.327 0.778 0.556 N 1.265 Z: 7 10.114 2.030 0.309 0.670 0.833 0.667 CB 1.595 Z: 22 24.050 2.153 1.006 0.420 0.857 0.524 CB 1.541 22 residues pruned to eliminate duplicates Z: 27 29.063 2.334 0.903 0.420 0.808 0.538 CB 1.727 18 residues pruned to eliminate duplicates Z: 15 32.826 2.205 1.021 0.881 0.929 0.857 CB 1.536 15 residues pruned to eliminate duplicates Z: 10 22.139 2.145 1.126 0.519 0.889 0.778 CB 1.787 10 residues pruned to eliminate duplicates Z: 33 44.126 2.428 1.003 0.560 0.906 0.594 CB 1.670 33 residues pruned to eliminate duplicates Z: 13 8.198 1.917 0.269 0.394 0.750 0.417 CB 1.451 9 residues pruned to eliminate duplicates Z: 17 45.605 2.425 1.319 0.793 0.938 0.562 CB 1.673 17 residues pruned to eliminate duplicates Z: 23 37.720 2.193 1.120 0.634 0.955 0.591 CB 1.598 23 residues pruned to eliminate duplicates Z: 6 9.020 2.056 0.422 0.702 1.000 0.800 CB 1.148 Z: 12 23.518 2.077 0.954 0.894 0.909 0.636 CB 1.379 12 residues pruned to eliminate duplicates Z: 30 44.342 2.450 1.261 0.644 0.828 0.552 CB 1.570 30 residues pruned to eliminate duplicates Z: 7 15.873 2.034 0.694 0.828 0.833 0.333 O 1.700 7 residues pruned to eliminate duplicates Z: 7 9.767 1.930 0.515 0.537 1.000 0.500 CB 1.316 Z: 9 5.839 1.690 1.111 0.269 0.625 0.375 N 1.204 Z: 9 11.482 1.794 0.614 0.838 0.750 0.625 CB 1.397 9 residues pruned to eliminate duplicates Z: 24 22.659 2.234 0.983 0.462 0.739 0.261 CB 1.501 24 residues pruned to eliminate duplicates Z: 11 13.429 1.649 0.829 0.680 0.900 0.500 CA 1.326 10 residues pruned to eliminate duplicates Z: 60 36.703 2.111 0.900 0.418 0.881 0.475 CB 1.473 59 residues pruned to eliminate duplicates Z: 8 26.128 2.228 1.255 0.813 1.000 0.714 CA 1.497 8 residues pruned to eliminate duplicates Z: 67 57.118 2.333 0.949 0.523 0.879 0.530 CB 1.720 67 residues pruned to eliminate duplicates Z: 7 9.866 1.979 0.172 0.714 0.833 0.833 N 1.716 8 residues pruned to eliminate duplicates Z: 7 20.000 1.949 0.886 0.880 1.000 0.667 CB 1.610 10 residues pruned to eliminate duplicates Z: 8 7.095 1.922 1.224 0.485 0.714 0.714 CB 0.891 Z: 46 47.760 2.266 1.039 0.514 0.911 0.622 CB 1.668 40 residues pruned to eliminate duplicates Z: 23 13.767 1.880 0.716 0.349 0.818 0.545 CB 1.309 23 residues pruned to eliminate duplicates Z: 26 23.509 2.124 0.747 0.385 0.840 0.480 CB 1.704 26 residues pruned to eliminate duplicates Z: 108 87.625 2.405 1.035 0.563 0.916 0.598 CB 1.778 108 residues pruned to eliminate duplicates Z: 6 4.455 1.498 0.419 0.698 0.800 0.800 CA 0.978 6 residues pruned to eliminate duplicates Z: 7 8.523 1.905 0.446 0.591 0.833 0.667 CA 1.389 Z: 19 22.477 2.207 0.595 0.423 1.000 0.500 CB 1.630 19 residues pruned to eliminate duplicates Z: 13 32.641 2.394 0.683 0.929 1.000 0.917 CB 1.636 13 residues pruned to eliminate duplicates Z: 10 10.772 2.032 0.745 0.552 0.778 0.556 CA 1.238 10 residues pruned to eliminate duplicates Z: 22 17.914 2.071 0.930 0.454 0.810 0.571 CB 1.266 22 residues pruned to eliminate duplicates Z: 22 41.815 2.265 0.929 0.740 1.000 0.762 CA 1.684 22 residues pruned to eliminate duplicates Z: 11 36.722 2.309 1.090 0.926 1.000 0.700 CA 1.687 11 residues pruned to eliminate duplicates Z: 12 24.490 2.311 0.990 0.388 1.000 0.455 CA 1.809 12 residues pruned to eliminate duplicates Z: 13 25.380 1.924 0.775 0.900 1.000 0.917 CB 1.533 13 residues pruned to eliminate duplicates Z: 13 23.566 2.300 1.172 0.627 0.833 0.333 CA 1.450 13 residues pruned to eliminate duplicates Z: 58 59.110 2.329 0.991 0.554 0.930 0.614 CB 1.722 58 residues pruned to eliminate duplicates Z: 18 28.933 2.280 1.120 0.408 0.882 0.706 CB 1.812 18 residues pruned to eliminate duplicates Z: 11 18.778 2.291 0.603 0.501 0.900 0.700 CA 1.795 11 residues pruned to eliminate duplicates Z: 8 14.298 2.159 0.655 0.895 0.714 0.571 CA 1.518 8 residues pruned to eliminate duplicates Z: 46 58.464 2.433 1.103 0.546 0.933 0.578 CB 1.745 46 residues pruned to eliminate duplicates Z: 21 16.526 2.169 0.579 0.472 0.950 0.600 CB 1.168 21 residues pruned to eliminate duplicates Z: 7 7.755 1.924 0.424 0.552 0.833 0.667 N 1.318 7 residues pruned to eliminate duplicates Z: 24 27.235 2.095 0.735 0.688 0.913 0.783 CB 1.441 24 residues pruned to eliminate duplicates Z: 7 5.964 1.847 0.902 0.643 0.833 0.500 CB 0.728 Z: 14 8.717 1.807 0.537 0.478 0.923 0.462 CB 0.964 14 residues pruned to eliminate duplicates Z: 20 23.463 2.065 0.850 0.503 0.947 0.474 CB 1.484 20 residues pruned to eliminate duplicates Z: 8 5.276 1.738 0.304 0.326 0.857 0.571 CB 1.242 Z: 29 28.405 2.155 0.780 0.486 0.857 0.571 CB 1.655 35 residues pruned to eliminate duplicates Z: 42 39.528 2.373 0.944 0.452 0.902 0.439 CB 1.558 42 residues pruned to eliminate duplicates Z: 9 14.799 2.238 0.530 0.869 0.875 0.875 CA 1.276 9 residues pruned to eliminate duplicates Z: 7 6.551 1.836 0.204 0.488 1.000 0.333 CB 1.224 Z: 26 30.638 2.256 0.891 0.474 0.880 0.640 CB 1.676 26 residues pruned to eliminate duplicates Z: 13 38.362 2.281 1.082 0.905 1.000 0.667 CA 1.660 13 residues pruned to eliminate duplicates Z: 6 10.271 2.207 0.535 0.628 0.800 0.800 CB 1.503 Z: 52 53.367 2.361 1.004 0.556 0.882 0.588 CB 1.695 52 residues pruned to eliminate duplicates Z: 11 28.621 2.294 0.799 0.862 1.000 0.800 CB 1.610 11 residues pruned to eliminate duplicates Z: 29 34.691 2.366 0.871 0.557 0.893 0.571 CB 1.569 29 residues pruned to eliminate duplicates Z: 12 20.010 1.784 1.429 0.916 0.909 0.727 CB 1.082 12 residues pruned to eliminate duplicates Z: 7 15.117 1.752 0.871 0.844 1.000 0.500 CA 1.401 7 residues pruned to eliminate duplicates Z: 11 5.103 1.817 0.271 0.542 0.800 0.500 CB 0.838 Z: 13 8.986 2.043 0.334 0.319 0.750 0.417 CB 1.550 13 residues pruned to eliminate duplicates Z: 6 2.633 1.867 -0.024 0.327 0.800 0.400 N 0.977 Z: 73 59.603 2.366 0.933 0.499 0.917 0.583 CB 1.677 73 residues pruned to eliminate duplicates Z: 9 13.883 1.992 0.723 0.578 0.875 0.625 CA 1.515 9 residues pruned to eliminate duplicates Z: 7 9.699 1.887 0.706 0.646 0.833 0.500 CA 1.288 7 residues pruned to eliminate duplicates Z: 9 18.995 2.377 0.308 0.912 1.000 1.000 CA 1.530 9 residues pruned to eliminate duplicates Z: 37 43.315 2.345 1.072 0.477 0.889 0.528 CB 1.711 37 residues pruned to eliminate duplicates Z: 16 24.253 1.979 0.817 0.817 0.933 0.800 CA 1.416 16 residues pruned to eliminate duplicates Z: 44 29.474 2.193 0.827 0.418 0.814 0.512 CB 1.501 45 residues pruned to eliminate duplicates Z: 6 13.043 2.246 0.917 0.597 0.800 0.800 CA 1.544 6 residues pruned to eliminate duplicates Z: 12 5.513 1.650 0.800 0.284 0.727 0.364 CB 0.981 Z: 9 14.017 1.734 0.711 0.896 1.000 1.000 CA 1.197 Z: 7 4.567 1.848 0.169 0.326 0.833 0.833 CB 1.254 Z: 7 4.570 1.678 0.758 0.372 0.667 0.500 CA 1.088 Z: 14 18.386 2.117 0.655 0.810 0.846 0.692 CA 1.313 14 residues pruned to eliminate duplicates Z: 16 31.292 2.248 0.770 0.826 0.933 0.600 CA 1.640 16 residues pruned to eliminate duplicates Z: 28 24.199 2.079 0.941 0.423 0.926 0.630 CB 1.350 28 residues pruned to eliminate duplicates Z: 22 12.058 1.866 0.590 0.427 0.810 0.571 CB 1.182 Z: 12 36.924 2.466 0.991 0.929 1.000 0.727 CB 1.587 12 residues pruned to eliminate duplicates Z: 21 13.960 1.915 0.706 0.498 0.800 0.550 CB 1.197 19 residues pruned to eliminate duplicates Z: 8 18.982 2.197 0.927 0.711 0.857 0.571 CA 1.633 8 residues pruned to eliminate duplicates Z: 14 36.431 2.407 0.793 0.890 0.923 0.769 CB 1.824 14 residues pruned to eliminate duplicates Z: 7 5.644 1.889 0.163 0.504 0.833 0.500 CA 1.253 7 residues pruned to eliminate duplicates Z: 17 8.387 1.831 0.413 0.336 0.812 0.625 CB 1.193 17 residues pruned to eliminate duplicates Z: 10 10.183 2.048 0.290 0.489 0.889 0.444 CB 1.462 10 residues pruned to eliminate duplicates Z: 8 10.659 2.277 0.179 0.616 0.857 0.714 CA 1.569 8 residues pruned to eliminate duplicates Z: 8 21.805 2.313 1.044 0.641 0.857 0.429 CA 1.781 8 residues pruned to eliminate duplicates Z: 27 26.998 2.165 1.161 0.344 0.846 0.500 CB 1.585 27 residues pruned to eliminate duplicates Z: 11 45.488 2.477 1.336 0.926 1.000 0.400 CB 1.743 11 residues pruned to eliminate duplicates Z: 7 2.901 1.262 0.883 0.676 0.833 0.667 O 0.509 Z: 28 44.637 2.268 1.121 0.646 0.926 0.444 CA 1.683 28 residues pruned to eliminate duplicates Z: 18 13.259 2.062 0.735 0.322 0.824 0.471 CB 1.328 18 residues pruned to eliminate duplicates Z: 7 5.310 2.088 -0.007 0.404 1.000 0.833 CB 1.156 7 residues pruned to eliminate duplicates Z: 29 38.301 2.440 1.040 0.509 0.857 0.679 CB 1.681 29 residues pruned to eliminate duplicates Z: 41 48.188 2.339 1.023 0.468 0.925 0.600 CB 1.798 41 residues pruned to eliminate duplicates Z: 23 16.628 2.195 0.483 0.489 0.773 0.500 CB 1.424 108 residues pruned to eliminate duplicates Z: 32 50.887 2.382 1.110 0.575 1.000 0.548 CB 1.691 32 residues pruned to eliminate duplicates Z: 6 2.186 1.949 -0.035 0.288 0.800 0.400 CB 0.825 6 residues pruned to eliminate duplicates Z: 7 13.398 2.152 1.010 0.517 1.000 0.833 CB 1.243 7 residues pruned to eliminate duplicates Z: 7 6.008 2.075 0.983 0.708 0.333 0.333 CB 1.480 7 residues pruned to eliminate duplicates Z: 7 5.731 1.604 0.719 0.249 0.833 0.667 CB 1.359 Z: 23 25.387 2.147 0.666 0.592 0.909 0.682 CB 1.524 23 residues pruned to eliminate duplicates Z: 23 24.261 2.061 0.577 0.655 0.955 0.773 CB 1.444 23 residues pruned to eliminate duplicates Z: 17 33.643 2.221 1.099 0.860 0.875 0.562 CB 1.516 17 residues pruned to eliminate duplicates Z: 125 71.731 2.262 0.933 0.516 0.887 0.565 CB 1.635 128 residues pruned to eliminate duplicates Z: 15 44.324 2.289 1.109 0.905 1.000 0.857 CA 1.746 15 residues pruned to eliminate duplicates Z: 18 24.778 2.214 1.033 0.566 0.765 0.647 CA 1.637 18 residues pruned to eliminate duplicates Z: 15 21.943 2.214 0.576 0.811 0.857 0.714 CB 1.495 15 residues pruned to eliminate duplicates Z: 9 12.062 1.983 0.815 0.466 0.750 0.500 O 1.635 9 residues pruned to eliminate duplicates Z: 13 10.467 1.779 0.638 0.418 0.917 0.583 N 1.232 Z: 31 35.356 2.427 0.827 0.512 0.933 0.633 CB 1.540 31 residues pruned to eliminate duplicates Z: 16 30.638 2.169 0.866 0.885 1.000 0.667 CB 1.411 16 residues pruned to eliminate duplicates Z: 10 8.472 1.793 0.735 0.331 0.778 0.444 CB 1.405 10 residues pruned to eliminate duplicates Z: 8 8.047 2.011 0.454 0.367 0.857 0.571 N 1.400 8 residues pruned to eliminate duplicates Z: 12 6.944 1.738 0.337 0.361 0.727 0.455 CB 1.439 12 residues pruned to eliminate duplicates Z: 10 7.997 1.989 0.773 0.280 0.889 0.444 CB 1.089 8 residues pruned to eliminate duplicates Z: 26 33.777 2.067 1.024 0.604 0.960 0.720 CB 1.523 26 residues pruned to eliminate duplicates Z: 6 7.931 1.452 1.068 0.793 1.000 0.400 CB 0.913 Z: 17 36.386 2.233 0.798 0.835 1.000 0.750 CA 1.697 Z: 11 25.835 2.069 1.002 0.907 1.000 0.500 CB 1.402 11 residues pruned to eliminate duplicates Z: 12 21.588 2.278 0.949 0.748 0.727 0.455 CB 1.614 12 residues pruned to eliminate duplicates Z: 6 2.909 1.340 0.255 0.704 0.800 0.600 CB 0.803 6 residues pruned to eliminate duplicates Z: 16 33.635 2.274 0.661 0.890 1.000 0.800 CB 1.654 16 residues pruned to eliminate duplicates Z: 10 17.052 2.340 0.459 0.756 0.778 0.333 CA 1.705 10 residues pruned to eliminate duplicates Z: 8 3.665 1.633 0.714 0.270 0.571 0.286 CB 1.125 Z: 10 5.761 2.022 0.256 0.287 0.667 0.444 CB 1.441 10 residues pruned to eliminate duplicates Z: 6 2.196 1.616 0.293 0.405 0.400 0.400 N 1.298 Z: 37 41.369 2.205 1.094 0.516 0.972 0.611 CB 1.511 19 residues pruned to eliminate duplicates Z: 31 28.699 2.201 0.719 0.497 0.867 0.533 CB 1.603 31 residues pruned to eliminate duplicates Z: 24 16.585 2.212 0.629 0.406 0.783 0.522 CB 1.354 24 residues pruned to eliminate duplicates Z: 21 23.940 2.068 1.043 0.477 0.850 0.500 CB 1.526 21 residues pruned to eliminate duplicates Z: 7 7.439 2.031 0.755 0.375 0.667 0.333 CB 1.461 7 residues pruned to eliminate duplicates Z: 12 15.333 1.866 0.639 0.872 0.909 0.727 CB 1.212 12 residues pruned to eliminate duplicates Z: 12 32.865 2.382 1.327 0.838 0.909 0.818 CB 1.470 12 residues pruned to eliminate duplicates Z: 21 15.609 2.163 0.650 0.352 0.900 0.650 CB 1.276 29 residues pruned to eliminate duplicates Z: 24 47.225 2.456 1.034 0.632 0.957 0.739 CA 1.820 24 residues pruned to eliminate duplicates Z: 7 7.528 1.518 0.616 0.802 0.833 0.500 CA 1.154 7 residues pruned to eliminate duplicates Z: 20 24.051 2.139 0.619 0.584 0.895 0.789 CB 1.642 20 residues pruned to eliminate duplicates Z: 9 3.773 1.827 0.069 0.393 0.875 0.375 CB 0.874 Z: 9 4.274 1.627 0.432 0.440 1.000 0.750 CB 0.690 8 residues pruned to eliminate duplicates Z: 9 18.734 1.824 0.743 0.875 1.000 0.500 O 1.515 Z: 24 23.547 2.099 0.763 0.600 0.826 0.565 CB 1.460 24 residues pruned to eliminate duplicates Z: 6 6.371 1.841 0.884 0.633 0.800 0.800 CB 0.906 6 residues pruned to eliminate duplicates Z: 9 4.460 1.739 0.436 0.389 0.750 0.250 CB 0.946 8 residues pruned to eliminate duplicates Z: 6 2.361 1.372 0.494 0.355 0.800 0.600 CB 0.753 Z: 6 3.648 1.404 0.095 0.868 1.000 0.800 CA 0.776 6 residues pruned to eliminate duplicates Z: 10 8.992 1.729 0.712 0.437 0.778 0.444 CB 1.390 7 residues pruned to eliminate duplicates Z: 7 3.820 1.615 0.226 0.496 0.833 0.500 CB 0.949 12 residues pruned to eliminate duplicates Z: 43 32.595 2.224 0.845 0.437 0.857 0.452 CB 1.526 43 residues pruned to eliminate duplicates Z: 58 61.221 2.406 0.994 0.526 0.912 0.509 CB 1.806 58 residues pruned to eliminate duplicates Z: 33 36.960 2.254 0.866 0.572 0.906 0.625 CB 1.599 33 residues pruned to eliminate duplicates Z: 29 35.871 2.186 0.976 0.529 0.929 0.607 CB 1.641 29 residues pruned to eliminate duplicates Z: 7 9.398 2.055 0.296 0.713 0.833 0.833 CB 1.424 7 residues pruned to eliminate duplicates Z: 11 18.945 2.094 1.069 0.688 0.700 0.500 CB 1.663 11 residues pruned to eliminate duplicates Z: 24 13.227 2.017 0.599 0.369 0.739 0.391 CB 1.331 24 residues pruned to eliminate duplicates Z: 6 2.920 1.932 0.210 0.291 0.600 0.400 CB 1.176 Z: 9 14.969 1.924 0.823 0.875 0.750 0.500 N 1.463 10 residues pruned to eliminate duplicates Z: 10 4.449 1.813 0.072 0.317 0.778 0.444 CB 1.201 Z: 14 11.656 1.988 0.490 0.349 0.846 0.615 CB 1.520 14 residues pruned to eliminate duplicates Z: 61 51.508 2.313 1.040 0.470 0.883 0.417 CB 1.644 66 residues pruned to eliminate duplicates Z: 15 4.072 1.635 0.150 0.256 0.714 0.143 CB 1.072 Z: 7 5.802 1.814 0.562 0.330 0.667 0.500 CB 1.511 Z: 6 6.904 2.101 0.501 0.841 0.800 0.400 CA 0.912 6 residues pruned to eliminate duplicates Z: 6 10.156 1.924 0.924 0.626 1.000 0.800 CB 1.089 Z: 7 3.341 1.424 0.820 0.249 0.667 0.333 C 1.054 Z: 6 3.687 1.563 0.329 0.335 0.800 0.600 CB 1.188 Z: 14 24.524 1.940 1.040 0.870 1.000 0.769 CB 1.255 14 residues pruned to eliminate duplicates Z: 6 4.649 1.554 0.394 0.493 1.000 0.600 CB 0.967 Z: 25 16.351 1.958 0.607 0.483 0.833 0.542 CB 1.295 25 residues pruned to eliminate duplicates Z: 11 36.710 2.478 0.998 0.911 1.000 0.800 CB 1.662 11 residues pruned to eliminate duplicates Z: 6 3.248 1.575 0.066 0.455 0.800 0.200 CB 1.132 Z: 14 20.659 1.878 1.159 0.839 1.000 0.615 CB 1.055 14 residues pruned to eliminate duplicates Z: 10 6.292 2.169 0.328 0.381 0.667 0.333 CB 1.239 16 residues pruned to eliminate duplicates Z: 7 5.603 1.913 0.347 0.666 1.000 0.833 CB 0.761 7 residues pruned to eliminate duplicates Z: 17 36.452 2.220 0.972 0.874 0.938 0.688 CA 1.616 17 residues pruned to eliminate duplicates Z: 6 11.099 1.720 0.535 0.807 1.000 1.000 N 1.439 Z: 6 3.156 1.690 0.323 0.409 1.000 0.800 N 0.695 Z: 9 17.416 1.840 0.739 0.893 1.000 0.250 N 1.382 9 residues pruned to eliminate duplicates Z: 46 35.882 2.285 0.693 0.501 0.844 0.556 CB 1.636 20 residues pruned to eliminate duplicates Z: 35 43.792 2.335 1.081 0.505 0.882 0.559 CA 1.743 35 residues pruned to eliminate duplicates Z: 26 29.755 2.250 0.949 0.486 0.880 0.640 CB 1.564 26 residues pruned to eliminate duplicates Z: 10 12.683 1.679 0.386 0.837 1.000 0.667 CB 1.358 10 residues pruned to eliminate duplicates Z: 84 64.898 2.328 1.041 0.532 0.880 0.506 CB 1.651 85 residues pruned to eliminate duplicates Z: 12 14.953 1.846 0.422 0.864 1.000 0.818 CB 1.258 11 residues pruned to eliminate duplicates Z: 7 8.619 2.069 -0.167 0.836 1.000 0.833 CB 1.529 Z: 14 31.538 2.247 1.143 0.890 0.923 0.385 CB 1.416 14 residues pruned to eliminate duplicates Z: 17 34.558 2.409 1.038 0.518 0.938 0.625 CB 1.845 17 residues pruned to eliminate duplicates Z: 30 23.125 1.991 0.657 0.470 0.862 0.586 CB 1.557 30 residues pruned to eliminate duplicates Z: 14 34.321 2.364 1.021 0.644 1.000 0.615 CB 1.743 14 residues pruned to eliminate duplicates Z: 11 13.538 2.240 0.413 0.487 0.900 0.700 CB 1.523 11 residues pruned to eliminate duplicates Z: 6 7.616 1.810 0.932 0.623 0.800 0.200 O 1.084 6 residues pruned to eliminate duplicates Z: 12 6.111 1.923 0.535 0.414 0.727 0.727 CB 0.939 9 residues pruned to eliminate duplicates Z: 8 3.739 1.527 0.517 0.211 0.714 0.429 CB 1.201 Z: 11 5.108 1.681 -0.027 0.398 0.900 0.500 CB 1.221 9 residues pruned to eliminate duplicates Z: 17 37.713 2.351 0.829 0.873 0.938 0.875 CA 1.703 17 residues pruned to eliminate duplicates Z: 10 4.243 1.916 0.390 0.138 0.667 0.444 CB 1.250 Z: 24 14.409 1.822 0.700 0.517 0.870 0.391 CB 1.097 24 residues pruned to eliminate duplicates Z: 22 15.995 2.122 0.792 0.402 0.810 0.571 CB 1.257 22 residues pruned to eliminate duplicates Z: 16 15.496 2.266 0.755 0.432 0.867 0.533 CB 1.246 Z: 10 6.529 1.786 0.739 0.396 0.667 0.556 CB 1.174 Z: 7 4.489 2.065 0.230 0.401 0.667 0.667 CB 1.202 Z: 6 2.985 1.860 0.098 0.295 0.800 0.600 CB 1.028 Z: 37 39.497 2.233 1.060 0.407 0.944 0.472 CA 1.671 37 residues pruned to eliminate duplicates Z: 10 10.901 2.013 0.745 0.440 0.889 0.556 CB 1.238 10 residues pruned to eliminate duplicates Z: 26 20.205 2.069 0.784 0.277 0.880 0.520 CA 1.601 26 residues pruned to eliminate duplicates 6 1.858 1.438 0.360 0.395 0.800 0.600 CB 0.593 ? Z: 16 18.195 2.303 0.705 0.472 1.000 0.667 CB 1.231 16 residues pruned to eliminate duplicates Z: 12 24.962 1.993 1.208 0.843 0.909 0.818 CA 1.401 12 residues pruned to eliminate duplicates Z: 15 12.931 2.064 0.830 0.374 0.786 0.286 CB 1.333 15 residues pruned to eliminate duplicates Z: 7 2.987 1.927 0.494 0.406 0.500 0.500 CB 0.936 5 residues pruned to eliminate duplicates Z: 16 45.366 2.544 0.837 0.849 0.933 0.800 CA 1.991 16 residues pruned to eliminate duplicates Z: 101 69.585 2.295 1.077 0.490 0.890 0.530 CB 1.656 102 residues pruned to eliminate duplicates Z: 44 47.347 2.404 0.899 0.513 0.930 0.605 CB 1.678 44 residues pruned to eliminate duplicates Z: 7 4.268 1.241 0.360 0.722 1.000 0.500 CA 0.845 Z: 6 7.009 1.573 1.391 0.410 1.000 0.600 CB 0.916 Z: 14 36.698 2.424 0.946 0.915 0.923 0.692 CA 1.652 Z: 11 26.156 2.128 0.864 0.842 1.000 0.700 CB 1.554 11 residues pruned to eliminate duplicates Z: 9 10.768 2.259 0.871 0.293 0.875 0.625 CA 1.299 9 residues pruned to eliminate duplicates Z: 23 25.144 2.221 0.797 0.511 0.727 0.500 CB 1.826 29 residues pruned to eliminate duplicates Z: 37 30.498 2.222 0.749 0.578 0.806 0.611 CB 1.507 37 residues pruned to eliminate duplicates Z: 8 6.947 1.706 0.533 0.712 0.857 0.429 CB 0.966 8 residues pruned to eliminate duplicates Z: 15 18.474 2.272 0.976 0.478 0.643 0.429 CA 1.750 15 residues pruned to eliminate duplicates Z: 36 29.352 2.231 0.821 0.499 0.800 0.514 CB 1.528 45 residues pruned to eliminate duplicates Z: 6 4.300 1.415 0.903 0.519 1.000 0.600 CA 0.701 Z: 14 5.826 1.699 0.559 0.322 0.769 0.385 CB 0.965 7 residues pruned to eliminate duplicates Z: 6 3.944 1.384 0.727 0.690 0.800 0.800 O 0.775 Z: 26 20.805 1.930 0.690 0.631 0.840 0.680 CB 1.342 26 residues pruned to eliminate duplicates Z: 34 34.102 2.247 1.103 0.499 0.788 0.515 CB 1.597 33 residues pruned to eliminate duplicates Z: 8 18.017 1.858 0.763 0.886 1.000 0.571 CB 1.500 8 residues pruned to eliminate duplicates Z: 17 30.586 2.249 0.855 0.774 0.938 0.875 CB 1.535 17 residues pruned to eliminate duplicates Z: 6 3.413 1.136 1.232 0.596 0.800 0.600 O 0.687 6 residues pruned to eliminate duplicates Z: 38 48.185 2.454 1.125 0.493 0.892 0.459 CB 1.715 38 residues pruned to eliminate duplicates Z: 9 6.980 1.851 0.756 0.393 0.875 0.375 CB 0.971 9 residues pruned to eliminate duplicates Z: 9 6.241 1.789 0.399 0.459 0.750 0.375 CA 1.226 Z: 9 4.382 1.203 1.092 0.666 0.625 0.125 CA 0.845 Z: 19 12.026 2.055 0.427 0.420 0.778 0.611 CB 1.350 17 residues pruned to eliminate duplicates Z: 6 3.554 1.750 -0.163 0.475 1.000 1.000 CB 1.114 6 residues pruned to eliminate duplicates Z: 13 13.412 1.932 0.502 0.677 0.917 0.750 CB 1.237 13 residues pruned to eliminate duplicates Z: 8 10.309 2.265 0.253 0.540 0.857 0.429 CA 1.541 8 residues pruned to eliminate duplicates Z: 15 8.986 1.888 0.546 0.632 0.857 0.571 CB 0.848 Z: 15 14.446 1.785 0.846 0.848 0.786 0.571 CB 1.106 13 residues pruned to eliminate duplicates Z: 13 25.293 1.953 1.117 0.933 1.000 0.833 CB 1.232 14 residues pruned to eliminate duplicates Z: 12 12.161 2.104 0.656 0.421 0.909 0.636 CA 1.257 12 residues pruned to eliminate duplicates Z: 16 8.870 1.973 0.342 0.500 0.800 0.467 CB 1.081 15 residues pruned to eliminate duplicates Z: 28 27.416 2.078 0.718 0.587 0.926 0.593 CB 1.468 28 residues pruned to eliminate duplicates Z: 11 23.054 2.143 0.856 0.868 1.000 0.900 CB 1.339 11 residues pruned to eliminate duplicates Z: 7 8.168 2.027 0.546 0.422 0.833 0.500 CA 1.386 7 residues pruned to eliminate duplicates Z: 16 26.571 2.154 0.703 0.849 1.000 0.733 CA 1.386 16 residues pruned to eliminate duplicates Z: 12 19.435 1.909 0.683 0.913 1.000 1.000 CB 1.291 12 residues pruned to eliminate duplicates Z: 7 6.424 1.453 0.550 0.671 1.000 0.667 CA 0.994 7 residues pruned to eliminate duplicates Z: 10 13.762 2.162 0.977 0.346 0.778 0.444 CA 1.632 10 residues pruned to eliminate duplicates Z: 19 18.448 2.140 0.811 0.503 0.889 0.444 CB 1.258 19 residues pruned to eliminate duplicates Z: 7 3.971 2.013 0.121 0.228 0.833 0.500 CB 1.184 Z: 7 2.550 1.637 0.295 0.189 0.667 0.500 CB 1.068 Z: 17 9.958 1.974 0.528 0.322 0.750 0.500 CB 1.339 17 residues pruned to eliminate duplicates Z: 8 5.627 1.809 0.434 0.337 0.714 0.571 CB 1.371 Z: 8 16.331 1.930 0.729 0.907 0.857 0.571 CA 1.534 Z: 29 44.544 2.358 1.085 0.617 0.929 0.607 CB 1.651 29 residues pruned to eliminate duplicates Z: 9 8.775 1.901 0.693 0.493 1.000 0.500 CB 0.971 9 residues pruned to eliminate duplicates Z: 17 19.189 2.118 0.939 0.426 0.938 0.562 CB 1.346 17 residues pruned to eliminate duplicates Z: 18 28.898 2.155 0.820 0.829 1.000 0.647 CB 1.344 18 residues pruned to eliminate duplicates Z: 15 21.342 1.919 0.916 0.585 0.929 0.786 CB 1.539 15 residues pruned to eliminate duplicates Z: 8 6.208 1.369 0.706 0.729 1.000 0.571 C 0.818 8 residues pruned to eliminate duplicates Z: 7 8.256 1.379 1.081 0.825 1.000 0.667 CA 0.886 Z: 18 37.314 2.087 1.060 0.860 1.000 0.824 CA 1.547 18 residues pruned to eliminate duplicates Z: 9 8.870 1.746 0.456 0.477 0.875 0.500 CA 1.443 9 residues pruned to eliminate duplicates Z: 7 3.872 1.667 0.181 0.306 1.000 0.500 CB 0.996 7 residues pruned to eliminate duplicates Z: 6 7.962 1.772 1.067 0.619 1.000 0.800 CB 0.869 Z: 11 20.143 2.036 0.785 0.904 1.000 0.700 CB 1.248 11 residues pruned to eliminate duplicates Z: 9 3.712 1.406 0.365 0.669 0.875 0.625 CB 0.669 Z: 8 3.134 1.614 0.632 0.342 0.571 0.571 N 0.935 Z: 6 5.164 1.722 0.941 0.357 0.600 0.400 N 1.344 Z: 62 38.425 2.170 0.807 0.457 0.787 0.475 CB 1.666 62 residues pruned to eliminate duplicates Z: 19 20.471 2.185 0.999 0.407 0.833 0.500 CB 1.462 21 residues pruned to eliminate duplicates Z: 6 5.301 1.827 0.512 0.473 0.800 0.400 CB 1.103 Z: 15 22.925 2.184 0.585 0.811 1.000 0.643 CA 1.349 15 residues pruned to eliminate duplicates Z: 26 12.895 1.898 0.398 0.365 0.880 0.600 CB 1.277 36 residues pruned to eliminate duplicates Z: 8 3.793 1.851 0.631 0.149 0.857 0.429 CB 0.854 Z: 10 16.180 2.169 0.680 0.430 1.000 0.667 CA 1.592 10 residues pruned to eliminate duplicates Z: 13 7.208 2.097 0.326 0.226 0.750 0.333 CB 1.374 13 residues pruned to eliminate duplicates Z: 6 3.593 1.562 0.625 0.422 0.600 0.400 CA 1.145 Z: 60 64.994 2.322 1.129 0.555 0.966 0.525 CB 1.679 60 residues pruned to eliminate duplicates Z: 46 46.687 2.323 0.970 0.478 0.889 0.489 CB 1.750 46 residues pruned to eliminate duplicates Z: 17 50.602 2.374 1.180 0.894 1.000 0.875 CB 1.753 17 residues pruned to eliminate duplicates Z: 8 4.969 1.896 0.667 0.441 1.000 0.429 CB 0.632 8 residues pruned to eliminate duplicates Z: 17 17.214 2.155 0.663 0.322 0.875 0.438 CB 1.669 17 residues pruned to eliminate duplicates Z: 80 55.284 2.318 0.881 0.507 0.861 0.570 CB 1.646 80 residues pruned to eliminate duplicates Z: 10 4.082 1.400 1.088 0.182 0.667 0.333 CB 1.024 Z: 7 3.524 1.755 0.292 0.294 0.667 0.000 O 1.198 7 residues pruned to eliminate duplicates Z: 16 9.609 1.904 0.450 0.323 0.800 0.467 N 1.365 16 residues pruned to eliminate duplicates Z: 40 47.018 2.361 1.042 0.478 0.897 0.564 CB 1.780 40 residues pruned to eliminate duplicates Z: 7 7.328 1.785 0.284 0.569 0.833 0.667 C 1.465 7 residues pruned to eliminate duplicates Z: 40 39.485 2.347 0.825 0.419 0.923 0.462 CA 1.739 40 residues pruned to eliminate duplicates Z: 21 23.674 2.225 0.591 0.615 0.850 0.700 CB 1.578 21 residues pruned to eliminate duplicates Z: 16 35.779 2.286 0.785 0.866 1.000 0.733 CA 1.658 16 residues pruned to eliminate duplicates Z: 30 25.253 2.025 0.946 0.432 0.897 0.517 CB 1.424 30 residues pruned to eliminate duplicates Z: 14 4.857 1.873 0.135 0.448 0.923 0.615 CB 0.724 Z: 38 33.435 2.301 0.699 0.455 0.838 0.432 CB 1.756 38 residues pruned to eliminate duplicates Z: 14 37.570 2.407 1.228 0.787 0.923 0.923 CB 1.635 14 residues pruned to eliminate duplicates Z: 12 6.773 1.526 0.672 0.341 0.727 0.455 N 1.308 Z: 8 17.056 1.852 0.648 0.898 1.000 0.571 N 1.511 8 residues pruned to eliminate duplicates Z: 57 38.910 2.213 0.969 0.453 0.857 0.464 CB 1.461 57 residues pruned to eliminate duplicates Z: 20 10.255 1.967 0.656 0.431 0.789 0.474 CB 0.983 20 residues pruned to eliminate duplicates Z: 18 14.769 2.100 0.783 0.457 0.706 0.529 CB 1.416 18 residues pruned to eliminate duplicates Z: 39 28.938 2.156 0.673 0.425 0.895 0.553 CB 1.572 39 residues pruned to eliminate duplicates Z: 38 28.736 2.112 0.819 0.482 0.811 0.649 CB 1.545 38 residues pruned to eliminate duplicates Z: 9 6.987 1.575 0.776 0.384 1.000 0.375 CB 0.999 Z: 15 20.404 1.958 0.798 0.524 1.000 0.429 CB 1.512 23 residues pruned to eliminate duplicates Z: 56 46.264 2.278 1.027 0.477 0.855 0.564 CB 1.618 56 residues pruned to eliminate duplicates Z: 8 3.227 1.882 -0.248 0.518 1.000 0.429 CB 0.846 Z: 9 19.846 1.843 0.897 0.906 1.000 0.375 CB 1.428 Z: 20 20.177 2.342 0.634 0.408 0.737 0.579 CB 1.807 20 residues pruned to eliminate duplicates Z: 6 11.626 1.727 1.207 0.513 1.000 0.400 CA 1.346 6 residues pruned to eliminate duplicates Z: 36 24.742 2.075 0.722 0.423 0.829 0.543 CB 1.531 36 residues pruned to eliminate duplicates Z: 28 22.450 2.161 0.662 0.494 0.889 0.556 CB 1.362 28 residues pruned to eliminate duplicates Z: 33 30.904 2.076 0.861 0.579 0.906 0.625 CB 1.446 33 residues pruned to eliminate duplicates Z: 6 3.297 1.619 0.080 0.306 1.000 0.400 O 1.046 Z: 16 4.995 1.547 0.519 0.298 0.667 0.267 CB 1.032 Z: 64 52.348 2.319 1.070 0.478 0.889 0.476 CB 1.581 63 residues pruned to eliminate duplicates Z: 66 64.444 2.296 1.051 0.541 0.938 0.492 CB 1.738 66 residues pruned to eliminate duplicates Z: 10 12.549 1.758 0.523 0.779 1.000 0.333 CA 1.222 10 residues pruned to eliminate duplicates Z: 14 18.962 2.161 0.660 0.467 1.000 0.769 CB 1.516 14 residues pruned to eliminate duplicates Z: 6 4.095 1.797 0.216 0.536 0.800 0.800 N 1.011 8 residues pruned to eliminate duplicates Z: 52 50.495 2.275 0.922 0.568 0.902 0.529 CB 1.679 52 residues pruned to eliminate duplicates Z: 29 25.705 2.031 0.700 0.696 0.929 0.786 CB 1.267 29 residues pruned to eliminate duplicates Z: 8 3.397 1.757 0.100 0.449 0.857 0.571 CB 0.816 3 residues pruned to eliminate duplicates Z: 11 9.967 1.777 0.608 0.360 0.900 0.400 CB 1.425 12 residues pruned to eliminate duplicates Z: 21 22.440 2.160 0.629 0.655 0.850 0.750 CB 1.452 21 residues pruned to eliminate duplicates Z: 21 22.128 2.149 0.616 0.556 0.950 0.600 CB 1.421 21 residues pruned to eliminate duplicates Z: 20 32.364 2.293 0.947 0.558 0.947 0.842 CA 1.658 20 residues pruned to eliminate duplicates Z: 21 23.559 2.075 0.928 0.521 0.850 0.600 CB 1.518 21 residues pruned to eliminate duplicates Z: 18 19.809 2.129 0.725 0.499 0.824 0.647 CA 1.590 18 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 10 11.474 1.973 0.639 0.453 0.889 0.444 CB 1.396 9 residues pruned to eliminate duplicates Z: 6 2.358 1.649 1.046 0.268 0.800 0.600 CB 0.508 Z: 6 5.796 1.450 1.078 0.455 1.000 0.600 CB 0.901 6 residues pruned to eliminate duplicates Z: 9 7.019 1.609 0.378 0.475 0.875 0.750 N 1.311 12 residues pruned to eliminate duplicates Z: 6 3.389 1.827 0.869 0.303 0.400 0.400 CB 1.382 6 residues pruned to eliminate duplicates Z: 28 14.563 2.022 0.773 0.368 0.778 0.481 CB 1.158 28 residues pruned to eliminate duplicates Z: 25 14.217 2.001 0.608 0.367 0.875 0.417 CB 1.189 25 residues pruned to eliminate duplicates Z: 12 6.440 1.890 0.316 0.367 0.818 0.455 CB 1.101 11 residues pruned to eliminate duplicates Z: 6 6.741 1.760 1.140 0.363 0.800 0.400 CA 1.160 6 residues pruned to eliminate duplicates Z: 81 50.792 2.338 0.884 0.460 0.850 0.562 CB 1.580 81 residues pruned to eliminate duplicates Z: 11 13.402 2.017 0.586 0.455 0.900 0.700 CA 1.540 11 residues pruned to eliminate duplicates Z: 17 13.020 2.202 0.610 0.355 0.875 0.562 CB 1.227 17 residues pruned to eliminate duplicates Z: 38 29.940 2.327 0.730 0.432 0.838 0.622 CB 1.565 38 residues pruned to eliminate duplicates Z: 11 14.835 2.071 0.751 0.375 0.900 0.700 CB 1.643 11 residues pruned to eliminate duplicates Z: 38 29.559 2.181 0.734 0.470 0.892 0.568 CB 1.486 38 residues pruned to eliminate duplicates Z: 24 15.886 2.194 0.581 0.398 0.826 0.565 CB 1.287 24 residues pruned to eliminate duplicates Z: 12 15.076 2.155 0.714 0.392 0.909 0.818 CB 1.518 12 residues pruned to eliminate duplicates Z: 31 21.204 2.037 0.603 0.486 0.933 0.633 CB 1.289 31 residues pruned to eliminate duplicates Z: 23 13.219 2.199 0.525 0.339 0.773 0.545 CB 1.296 23 residues pruned to eliminate duplicates Z: 16 12.443 2.366 0.527 0.377 0.800 0.533 CB 1.267 16 residues pruned to eliminate duplicates Z: 48 26.790 2.291 0.530 0.361 0.830 0.468 CB 1.560 48 residues pruned to eliminate duplicates Z: 27 27.654 2.276 0.815 0.406 0.885 0.500 CB 1.637 27 residues pruned to eliminate duplicates Z: 30 24.329 2.217 0.806 0.396 0.759 0.517 CB 1.660 30 residues pruned to eliminate duplicates Z: 27 26.453 2.215 0.884 0.429 0.846 0.462 CB 1.580 27 residues pruned to eliminate duplicates Z: 39 27.487 2.192 0.706 0.439 0.895 0.474 CB 1.420 39 residues pruned to eliminate duplicates Z: 25 30.432 2.318 0.931 0.462 0.917 0.583 CB 1.573 25 residues pruned to eliminate duplicates Z: 25 32.979 2.299 1.038 0.436 0.917 0.625 CB 1.674 25 residues pruned to eliminate duplicates Z: 22 29.240 2.239 1.044 0.444 0.952 0.619 CB 1.550 22 residues pruned to eliminate duplicates Z: 18 35.643 2.381 1.116 0.507 0.941 0.706 CB 1.810 18 residues pruned to eliminate duplicates Z: 26 28.806 2.240 0.991 0.428 0.880 0.560 CB 1.582 26 residues pruned to eliminate duplicates Z: 31 28.756 2.152 0.929 0.418 0.867 0.600 CB 1.590 31 residues pruned to eliminate duplicates Z: 64 53.261 2.365 1.025 0.463 0.873 0.492 CB 1.666 64 residues pruned to eliminate duplicates Z: 26 29.431 2.257 0.966 0.421 0.880 0.600 CB 1.637 26 residues pruned to eliminate duplicates Z: 24 32.107 2.296 0.982 0.473 0.913 0.522 CB 1.656 24 residues pruned to eliminate duplicates Z: 27 24.966 2.254 0.849 0.434 0.808 0.538 CB 1.556 27 residues pruned to eliminate duplicates Z: 75 54.727 2.349 1.004 0.459 0.851 0.541 CB 1.656 75 residues pruned to eliminate duplicates Z: 23 31.593 2.294 1.052 0.435 0.909 0.545 CB 1.683 23 residues pruned to eliminate duplicates Z: 39 29.652 2.248 0.785 0.420 0.921 0.553 CB 1.414 39 residues pruned to eliminate duplicates Z: 21 28.374 2.265 1.047 0.447 0.850 0.500 CB 1.699 21 residues pruned to eliminate duplicates Z: 38 27.051 2.272 0.825 0.376 0.838 0.649 CB 1.462 38 residues pruned to eliminate duplicates Z: 27 29.406 2.212 0.930 0.472 0.885 0.615 CB 1.571 27 residues pruned to eliminate duplicates Z: 24 28.235 2.221 0.967 0.412 0.870 0.609 CB 1.699 24 residues pruned to eliminate duplicates Z: 67 50.837 2.336 0.933 0.449 0.879 0.606 CB 1.662 67 residues pruned to eliminate duplicates Z: 35 20.316 2.223 0.595 0.386 0.735 0.471 CB 1.508 35 residues pruned to eliminate duplicates Z: 67 53.115 2.363 1.025 0.453 0.848 0.485 CB 1.690 67 residues pruned to eliminate duplicates Z: 104 60.128 2.294 0.915 0.434 0.864 0.515 CB 1.670 104 residues pruned to eliminate duplicates Z: 54 51.583 2.413 1.004 0.476 0.906 0.528 CB 1.658 54 residues pruned to eliminate duplicates Z: 37 55.499 2.491 0.968 0.569 0.972 0.722 CB 1.815 37 residues pruned to eliminate duplicates Z: 96 63.014 2.366 0.834 0.524 0.853 0.537 CB 1.706 96 residues pruned to eliminate duplicates Z: 94 66.833 2.349 0.940 0.511 0.871 0.527 CB 1.726 94 residues pruned to eliminate duplicates Z: 85 69.445 2.389 1.033 0.506 0.881 0.524 CB 1.760 85 residues pruned to eliminate duplicates Z: 85 66.419 2.371 1.040 0.528 0.857 0.524 CB 1.701 85 residues pruned to eliminate duplicates Z: 76 55.321 2.370 0.987 0.452 0.840 0.507 CB 1.696 76 residues pruned to eliminate duplicates Z: 114 75.118 2.391 0.963 0.491 0.876 0.522 CB 1.735 114 residues pruned to eliminate duplicates Z: 96 61.700 2.317 0.882 0.512 0.874 0.537 CB 1.641 96 residues pruned to eliminate duplicates Z: 64 51.791 2.375 0.933 0.448 0.889 0.587 CB 1.686 64 residues pruned to eliminate duplicates Z: 50 52.333 2.328 1.057 0.487 0.918 0.633 CA 1.721 50 residues pruned to eliminate duplicates Z: 70 52.390 2.324 0.899 0.485 0.870 0.522 CB 1.669 70 residues pruned to eliminate duplicates Z: 107 65.620 2.326 1.019 0.490 0.821 0.585 CB 1.669 107 residues pruned to eliminate duplicates Z: 42 45.809 2.452 1.023 0.512 0.902 0.512 CB 1.580 42 residues pruned to eliminate duplicates Z: 71 52.593 2.337 1.004 0.442 0.857 0.414 CB 1.662 71 residues pruned to eliminate duplicates Z: 57 64.153 2.369 1.135 0.529 0.964 0.589 CB 1.708 57 residues pruned to eliminate duplicates Z: 65 67.345 2.425 1.115 0.505 0.922 0.547 CB 1.771 65 residues pruned to eliminate duplicates Z: 88 66.513 2.398 0.994 0.476 0.885 0.494 CB 1.727 88 residues pruned to eliminate duplicates Z: 77 60.530 2.341 1.012 0.496 0.947 0.566 CB 1.562 77 residues pruned to eliminate duplicates Z: 91 58.229 2.307 1.005 0.467 0.856 0.522 CB 1.603 91 residues pruned to eliminate duplicates Z: 63 66.232 2.406 1.105 0.538 0.903 0.468 CB 1.771 63 residues pruned to eliminate duplicates Z: 46 43.991 2.377 0.970 0.478 0.911 0.533 CB 1.572 46 residues pruned to eliminate duplicates Z: 47 50.983 2.370 1.099 0.521 0.848 0.478 CB 1.747 47 residues pruned to eliminate duplicates Z: 48 56.223 2.404 1.082 0.520 0.894 0.468 CB 1.798 48 residues pruned to eliminate duplicates Z: 59 59.080 2.394 1.113 0.499 0.879 0.448 CB 1.746 59 residues pruned to eliminate duplicates Z: 87 68.421 2.353 1.146 0.500 0.837 0.512 CB 1.745 87 residues pruned to eliminate duplicates Z: 38 58.252 2.460 1.118 0.559 0.946 0.649 CB 1.835 38 residues pruned to eliminate duplicates Z: 39 55.494 2.440 1.180 0.549 0.895 0.579 CB 1.803 39 residues pruned to eliminate duplicates Z: 55 45.875 2.387 0.919 0.445 0.852 0.444 CB 1.693 55 residues pruned to eliminate duplicates Z: 40 62.283 2.399 1.162 0.580 1.000 0.667 CB 1.780 40 residues pruned to eliminate duplicates Z: 88 75.560 2.415 1.038 0.533 0.920 0.552 CB 1.733 88 residues pruned to eliminate duplicates Z: 64 49.966 2.281 1.030 0.458 0.889 0.540 CB 1.597 64 residues pruned to eliminate duplicates Z: 91 67.955 2.369 1.046 0.518 0.878 0.578 CB 1.654 91 residues pruned to eliminate duplicates Z: 54 59.053 2.384 1.077 0.527 0.906 0.547 CB 1.762 54 residues pruned to eliminate duplicates Z: 79 67.527 2.353 1.138 0.477 0.859 0.474 CB 1.812 79 residues pruned to eliminate duplicates Z: 51 63.765 2.393 1.223 0.499 0.940 0.500 CB 1.805 51 residues pruned to eliminate duplicates Z: 117 75.634 2.366 0.931 0.525 0.922 0.517 CB 1.626 117 residues pruned to eliminate duplicates Z: 64 58.843 2.373 1.062 0.538 0.857 0.460 CB 1.703 64 residues pruned to eliminate duplicates Z: 108 63.907 2.267 1.011 0.430 0.850 0.495 CB 1.713 108 residues pruned to eliminate duplicates Z: 50 44.449 2.321 0.954 0.413 0.878 0.449 CB 1.747 50 residues pruned to eliminate duplicates Z: 70 68.864 2.421 1.004 0.521 0.942 0.565 CB 1.775 70 residues pruned to eliminate duplicates Z: 90 71.823 2.367 1.067 0.512 0.921 0.517 CB 1.669 90 residues pruned to eliminate duplicates Z: 64 63.602 2.385 1.019 0.567 0.905 0.603 CB 1.725 64 residues pruned to eliminate duplicates Z: 62 62.210 2.392 1.080 0.542 0.885 0.574 CB 1.735 62 residues pruned to eliminate duplicates Z: 74 64.148 2.361 0.999 0.507 0.959 0.548 CB 1.648 74 residues pruned to eliminate duplicates Z: 88 65.224 2.336 1.034 0.489 0.885 0.517 CB 1.682 88 residues pruned to eliminate duplicates Z: 94 77.199 2.339 1.108 0.502 0.892 0.538 CB 1.815 94 residues pruned to eliminate duplicates Z: 51 59.480 2.379 0.956 0.575 0.940 0.600 CB 1.789 51 residues pruned to eliminate duplicates Z: 63 68.373 2.386 1.154 0.533 0.935 0.516 CA 1.750 63 residues pruned to eliminate duplicates Z: 55 60.062 2.360 1.067 0.550 0.907 0.630 CB 1.759 55 residues pruned to eliminate duplicates Z: 85 68.761 2.319 1.103 0.470 0.917 0.560 CB 1.730 85 residues pruned to eliminate duplicates Z: 68 61.164 2.332 1.040 0.501 0.925 0.463 CB 1.695 68 residues pruned to eliminate duplicates Z: 89 73.990 2.375 1.148 0.503 0.920 0.545 CB 1.675 89 residues pruned to eliminate duplicates Z: 48 47.887 2.338 1.060 0.444 0.894 0.468 CB 1.720 48 residues pruned to eliminate duplicates Z: 68 66.442 2.423 1.028 0.517 0.910 0.552 CB 1.785 68 residues pruned to eliminate duplicates Z: 70 74.579 2.379 1.199 0.560 0.928 0.536 CB 1.745 70 residues pruned to eliminate duplicates Z: 90 74.284 2.399 1.082 0.511 0.910 0.539 CB 1.714 90 residues pruned to eliminate duplicates Z: 61 76.224 2.444 1.175 0.569 0.950 0.500 CB 1.822 61 residues pruned to eliminate duplicates Z: 87 69.580 2.362 1.048 0.519 0.907 0.547 CB 1.678 87 residues pruned to eliminate duplicates Z: 69 67.704 2.375 1.108 0.523 0.912 0.603 CA 1.758 69 residues pruned to eliminate duplicates Z: 104 73.464 2.309 1.081 0.528 0.874 0.592 CB 1.679 104 residues pruned to eliminate duplicates Z: 104 75.667 2.390 0.959 0.526 0.903 0.612 CB 1.719 104 residues pruned to eliminate duplicates Z: 100 72.593 2.340 0.993 0.517 0.899 0.586 CB 1.711 100 residues pruned to eliminate duplicates Z: 66 60.814 2.347 1.051 0.546 0.877 0.600 CB 1.708 66 residues pruned to eliminate duplicates Z: 42 47.576 2.311 0.945 0.548 0.927 0.561 CB 1.702 42 residues pruned to eliminate duplicates Z: 49 43.084 2.195 0.911 0.548 0.854 0.562 CB 1.656 49 residues pruned to eliminate duplicates Z: 27 41.546 2.270 1.022 0.623 0.923 0.731 CB 1.713 27 residues pruned to eliminate duplicates Z: 30 42.221 2.192 1.109 0.577 0.897 0.690 CA 1.756 30 residues pruned to eliminate duplicates Z: 26 43.633 2.282 1.116 0.617 0.920 0.800 CB 1.759 26 residues pruned to eliminate duplicates Z: 70 73.025 2.370 1.176 0.537 0.942 0.580 CB 1.745 70 residues pruned to eliminate duplicates Z: 32 38.566 2.178 1.051 0.541 0.871 0.645 CB 1.711 32 residues pruned to eliminate duplicates Z: 30 40.540 2.357 1.053 0.547 0.862 0.586 CB 1.723 30 residues pruned to eliminate duplicates Z: 122 77.880 2.359 1.041 0.502 0.893 0.554 CB 1.644 122 residues pruned to eliminate duplicates Z: 96 83.561 2.382 1.141 0.565 0.926 0.568 CB 1.704 96 residues pruned to eliminate duplicates Z: 90 76.899 2.375 1.035 0.531 0.944 0.551 CB 1.734 90 residues pruned to eliminate duplicates Z: 28 36.231 2.253 0.942 0.561 0.889 0.667 CA 1.690 28 residues pruned to eliminate duplicates Z: 125 82.000 2.368 1.056 0.525 0.911 0.597 CB 1.619 125 residues pruned to eliminate duplicates Z: 27 43.078 2.289 1.139 0.612 0.923 0.692 CA 1.681 27 residues pruned to eliminate duplicates Z: 70 64.078 2.360 1.049 0.537 0.899 0.638 CA 1.713 70 residues pruned to eliminate duplicates Z: 24 46.050 2.336 1.117 0.669 0.957 0.696 CA 1.736 24 residues pruned to eliminate duplicates Z: 24 40.147 2.328 1.002 0.675 0.913 0.783 CA 1.675 24 residues pruned to eliminate duplicates Z: 29 39.357 2.367 1.021 0.575 0.929 0.643 CB 1.559 29 residues pruned to eliminate duplicates Z: 96 73.413 2.386 1.047 0.515 0.884 0.558 CB 1.719 96 residues pruned to eliminate duplicates Z: 33 35.619 2.243 0.845 0.521 0.906 0.625 CB 1.645 33 residues pruned to eliminate duplicates Z: 18 25.213 2.258 0.938 0.490 0.941 0.588 CB 1.500 18 residues pruned to eliminate duplicates Z: 11 10.196 1.962 0.592 0.397 0.800 0.500 CB 1.438 11 residues pruned to eliminate duplicates Z: 67 65.412 2.335 0.976 0.603 0.939 0.621 CB 1.685 67 residues pruned to eliminate duplicates Z: 19 24.613 2.267 0.819 0.539 0.833 0.389 CB 1.625 19 residues pruned to eliminate duplicates Z: 18 25.748 2.249 0.868 0.501 0.941 0.529 CB 1.578 18 residues pruned to eliminate duplicates Z: 21 18.205 2.093 0.813 0.461 0.800 0.450 CB 1.396 21 residues pruned to eliminate duplicates Z: 19 22.624 2.245 0.826 0.530 0.778 0.389 CB 1.624 19 residues pruned to eliminate duplicates Z: 19 26.940 2.220 0.963 0.519 0.889 0.556 CB 1.609 19 residues pruned to eliminate duplicates Z: 28 30.192 2.341 0.726 0.538 0.778 0.519 CB 1.780 28 residues pruned to eliminate duplicates Z: 20 16.771 2.105 0.667 0.462 0.789 0.421 CB 1.444 20 residues pruned to eliminate duplicates Z: 30 25.867 2.225 0.665 0.434 0.862 0.586 CB 1.611 30 residues pruned to eliminate duplicates Z: 12 25.677 2.408 0.799 0.588 0.909 0.545 CA 1.807 12 residues pruned to eliminate duplicates Z: 17 30.781 2.341 0.973 0.620 0.875 0.500 CB 1.700 17 residues pruned to eliminate duplicates Z: 16 34.434 2.392 0.958 0.655 0.933 0.533 CB 1.761 16 residues pruned to eliminate duplicates Z: 18 24.441 2.313 0.632 0.565 0.882 0.529 CB 1.672 18 residues pruned to eliminate duplicates Z: 28 23.230 2.289 0.730 0.391 0.815 0.407 CB 1.556 28 residues pruned to eliminate duplicates Z: 34 33.456 2.197 0.741 0.458 0.939 0.545 CB 1.692 34 residues pruned to eliminate duplicates Z: 52 55.932 2.400 0.980 0.573 0.882 0.667 CB 1.740 52 residues pruned to eliminate duplicates Z: 22 28.142 2.396 0.744 0.436 0.905 0.667 CB 1.736 22 residues pruned to eliminate duplicates Z: 17 14.521 2.180 0.740 0.336 0.812 0.562 CB 1.409 17 residues pruned to eliminate duplicates Z: 20 18.744 2.082 0.719 0.351 0.895 0.474 CB 1.579 20 residues pruned to eliminate duplicates Z: 22 33.154 2.373 0.766 0.543 1.000 0.667 CB 1.655 22 residues pruned to eliminate duplicates Z: 38 24.114 2.115 0.667 0.404 0.865 0.514 CB 1.439 38 residues pruned to eliminate duplicates Z: 101 72.462 2.349 1.009 0.502 0.910 0.570 CB 1.684 101 residues pruned to eliminate duplicates Z: 22 18.870 2.151 0.659 0.381 0.952 0.524 CB 1.375 22 residues pruned to eliminate duplicates Z: 29 18.496 2.178 0.802 0.264 0.786 0.393 CB 1.484 29 residues pruned to eliminate duplicates Z: 25 18.317 2.273 0.718 0.273 0.833 0.333 CB 1.487 25 residues pruned to eliminate duplicates Z: 6 5.345 1.476 0.989 0.322 1.000 0.400 N 0.991 6 residues pruned to eliminate duplicates Z: 93 56.538 2.316 0.833 0.480 0.902 0.522 CB 1.570 93 residues pruned to eliminate duplicates Z: 20 17.047 2.238 0.659 0.367 0.842 0.526 CB 1.442 20 residues pruned to eliminate duplicates Z: 41 30.870 2.285 0.776 0.382 0.900 0.425 CB 1.516 41 residues pruned to eliminate duplicates Z: 15 21.424 2.366 0.814 0.366 0.929 0.571 CB 1.658 15 residues pruned to eliminate duplicates Z: 17 24.994 2.225 0.728 0.557 0.938 0.625 CB 1.640 17 residues pruned to eliminate duplicates Z: 55 43.882 2.261 0.885 0.459 0.907 0.537 CB 1.609 55 residues pruned to eliminate duplicates Z: 15 18.049 2.255 0.901 0.408 0.857 0.571 CB 1.446 15 residues pruned to eliminate duplicates Z: 7 20.562 2.568 1.226 0.500 0.833 0.500 CB 1.763 7 residues pruned to eliminate duplicates Z: 6 7.589 1.882 0.510 0.486 1.000 0.800 CA 1.211 6 residues pruned to eliminate duplicates Z: 18 15.454 2.188 0.619 0.450 0.882 0.529 CB 1.262 18 residues pruned to eliminate duplicates Z: 16 19.296 2.321 0.726 0.493 0.933 0.667 CB 1.342 16 residues pruned to eliminate duplicates Z: 6 4.990 1.551 0.373 0.439 1.000 1.000 N 1.116 6 residues pruned to eliminate duplicates Z: 105 51.594 2.182 0.811 0.466 0.846 0.529 CB 1.567 105 residues pruned to eliminate duplicates Z: 19 15.824 2.183 0.649 0.403 0.889 0.611 CB 1.291 19 residues pruned to eliminate duplicates Z: 25 17.547 2.204 0.632 0.405 0.833 0.458 CB 1.321 26 residues pruned to eliminate duplicates Z: 6 3.594 1.664 0.776 0.214 0.600 0.200 N 1.270 6 residues pruned to eliminate duplicates Z: 78 54.954 2.385 0.917 0.484 0.857 0.571 CB 1.624 79 residues pruned to eliminate duplicates Z: 6 2.733 1.564 0.754 0.226 0.600 0.000 O 1.023 6 residues pruned to eliminate duplicates Z: 41 44.502 2.384 0.993 0.507 0.875 0.525 CB 1.681 41 residues pruned to eliminate duplicates Z: 74 53.141 2.344 0.906 0.496 0.836 0.521 CB 1.672 74 residues pruned to eliminate duplicates Z: 38 36.763 2.341 0.823 0.475 0.919 0.541 CB 1.580 38 residues pruned to eliminate duplicates Z: 8 8.714 1.677 1.481 0.406 1.000 0.286 CA 0.874 8 residues pruned to eliminate duplicates Z: 27 28.617 2.133 1.164 0.366 0.846 0.500 CB 1.659 27 residues pruned to eliminate duplicates Z: 23 32.789 2.292 1.228 0.441 0.818 0.591 CA 1.778 23 residues pruned to eliminate duplicates Z: 24 32.663 2.344 1.179 0.409 0.826 0.522 CB 1.774 24 residues pruned to eliminate duplicates Z: 26 34.127 2.285 1.149 0.456 0.880 0.520 CB 1.651 26 residues pruned to eliminate duplicates Z: 22 41.121 2.411 1.279 0.463 0.905 0.476 CB 1.873 22 residues pruned to eliminate duplicates Z: 22 33.961 2.358 1.114 0.477 0.810 0.619 CB 1.879 22 residues pruned to eliminate duplicates Z: 40 34.730 2.294 0.939 0.442 0.923 0.590 CB 1.438 39 residues pruned to eliminate duplicates Z: 6 9.488 1.982 1.178 0.293 0.800 0.600 CB 1.549 6 residues pruned to eliminate duplicates Z: 31 34.960 2.357 1.071 0.445 0.867 0.467 CB 1.597 31 residues pruned to eliminate duplicates Z: 25 33.438 2.402 0.987 0.465 0.833 0.458 CB 1.779 25 residues pruned to eliminate duplicates Z: 41 33.790 2.284 0.824 0.472 0.875 0.600 CB 1.508 41 residues pruned to eliminate duplicates Z: 26 22.484 2.274 0.698 0.419 0.760 0.480 CB 1.667 26 residues pruned to eliminate duplicates Z: 23 37.872 2.429 1.063 0.535 0.864 0.591 CA 1.802 23 residues pruned to eliminate duplicates Z: 80 54.773 2.336 0.868 0.456 0.899 0.506 CB 1.644 80 residues pruned to eliminate duplicates Z: 44 46.053 2.358 0.966 0.588 0.884 0.605 CB 1.575 44 residues pruned to eliminate duplicates Z: 49 41.893 2.267 0.946 0.535 0.812 0.604 CB 1.630 49 residues pruned to eliminate duplicates Z: 63 35.987 2.204 0.799 0.459 0.790 0.468 CB 1.520 63 residues pruned to eliminate duplicates Z: 85 56.297 2.326 0.890 0.490 0.845 0.536 CB 1.670 99 residues pruned to eliminate duplicates Z: 44 42.587 2.331 0.851 0.566 0.884 0.651 CB 1.598 44 residues pruned to eliminate duplicates Z: 49 38.689 2.230 0.910 0.504 0.833 0.562 CB 1.567 49 residues pruned to eliminate duplicates Z: 27 31.537 2.308 0.789 0.569 0.923 0.577 CB 1.518 27 residues pruned to eliminate duplicates Z: 39 38.573 2.311 0.856 0.505 0.895 0.526 CB 1.622 39 residues pruned to eliminate duplicates Z: 25 23.507 2.146 0.718 0.579 0.792 0.458 CB 1.524 25 residues pruned to eliminate duplicates Z: 45 46.310 2.350 0.973 0.551 0.886 0.545 CB 1.616 45 residues pruned to eliminate duplicates Z: 82 55.485 2.324 0.854 0.450 0.914 0.494 CB 1.649 82 residues pruned to eliminate duplicates Z: 39 40.568 2.265 0.915 0.554 0.921 0.605 CB 1.563 39 residues pruned to eliminate duplicates Z: 21 27.076 2.275 0.852 0.735 0.850 0.550 CB 1.368 21 residues pruned to eliminate duplicates Z: 34 26.850 2.203 0.736 0.543 0.818 0.606 CB 1.433 34 residues pruned to eliminate duplicates Z: 74 57.660 2.350 0.992 0.441 0.877 0.521 CB 1.747 74 residues pruned to eliminate duplicates Z: 29 25.947 2.224 0.849 0.599 0.786 0.500 CB 1.381 29 residues pruned to eliminate duplicates Z: 89 50.420 2.313 0.784 0.479 0.852 0.534 CB 1.562 89 residues pruned to eliminate duplicates Z: 84 52.047 2.232 0.958 0.479 0.867 0.518 CB 1.539 84 residues pruned to eliminate duplicates Z: 70 53.132 2.325 0.905 0.485 0.913 0.565 CB 1.606 70 residues pruned to eliminate duplicates Z: 84 57.306 2.309 0.899 0.479 0.892 0.542 CB 1.643 84 residues pruned to eliminate duplicates Z: 70 65.539 2.429 1.083 0.534 0.870 0.551 CB 1.736 70 residues pruned to eliminate duplicates Z: 55 34.945 2.316 0.818 0.461 0.778 0.463 CB 1.511 55 residues pruned to eliminate duplicates Z: 25 35.848 2.300 1.055 0.668 0.875 0.625 CB 1.515 25 residues pruned to eliminate duplicates Z: 51 40.754 2.307 0.778 0.539 0.860 0.440 CB 1.573 51 residues pruned to eliminate duplicates Z: 26 36.312 2.312 0.945 0.684 0.880 0.520 CB 1.550 26 residues pruned to eliminate duplicates Z: 61 60.831 2.387 1.176 0.522 0.883 0.483 CB 1.674 61 residues pruned to eliminate duplicates Z: 49 43.809 2.301 1.086 0.496 0.854 0.521 CB 1.548 49 residues pruned to eliminate duplicates Z: 85 55.820 2.311 0.935 0.490 0.845 0.476 CB 1.628 85 residues pruned to eliminate duplicates Z: 110 60.437 2.295 0.870 0.455 0.862 0.486 CB 1.638 124 residues pruned to eliminate duplicates Z: 85 62.219 2.319 1.032 0.483 0.917 0.500 CB 1.598 85 residues pruned to eliminate duplicates Z: 61 49.907 2.332 1.003 0.466 0.850 0.450 CB 1.679 61 residues pruned to eliminate duplicates Z: 70 65.962 2.407 1.076 0.524 0.899 0.580 CB 1.726 70 residues pruned to eliminate duplicates Z: 43 49.903 2.382 1.089 0.523 0.929 0.548 CB 1.629 43 residues pruned to eliminate duplicates Z: 93 55.660 2.247 0.934 0.426 0.870 0.511 CB 1.660 93 residues pruned to eliminate duplicates Z: 31 35.762 2.318 0.978 0.456 0.867 0.567 CB 1.719 31 residues pruned to eliminate duplicates Z: 75 58.171 2.328 1.058 0.492 0.865 0.486 CB 1.645 75 residues pruned to eliminate duplicates Z: 33 34.361 2.264 1.021 0.458 0.812 0.469 CB 1.705 33 residues pruned to eliminate duplicates Z: 24 25.842 2.282 1.084 0.378 0.783 0.478 CB 1.650 24 residues pruned to eliminate duplicates Z: 61 42.503 2.260 0.881 0.444 0.833 0.467 CB 1.640 78 residues pruned to eliminate duplicates Z: 70 51.552 2.346 0.887 0.474 0.870 0.609 CB 1.655 70 residues pruned to eliminate duplicates Z: 99 59.482 2.314 0.827 0.458 0.918 0.561 CB 1.615 101 residues pruned to eliminate duplicates Z: 10 20.291 2.309 1.160 0.619 0.778 0.667 CA 1.557 10 residues pruned to eliminate duplicates Z: 56 55.624 2.283 1.112 0.543 0.927 0.618 CB 1.609 56 residues pruned to eliminate duplicates Z: 50 51.189 2.342 1.061 0.552 0.878 0.510 CB 1.642 50 residues pruned to eliminate duplicates Z: 29 25.071 2.122 0.820 0.458 0.857 0.500 CB 1.495 29 residues pruned to eliminate duplicates Z: 26 25.802 2.143 0.889 0.471 0.880 0.400 CB 1.492 26 residues pruned to eliminate duplicates Z: 26 26.267 2.153 0.934 0.456 0.880 0.320 CB 1.500 26 residues pruned to eliminate duplicates Z: 90 66.947 2.298 0.997 0.533 0.921 0.573 CB 1.624 100 residues pruned to eliminate duplicates Z: 45 43.343 2.202 1.044 0.443 0.932 0.432 CB 1.653 45 residues pruned to eliminate duplicates Z: 89 66.896 2.313 1.102 0.515 0.886 0.420 CB 1.631 89 residues pruned to eliminate duplicates Z: 57 51.885 2.250 1.131 0.521 0.911 0.607 CB 1.556 57 residues pruned to eliminate duplicates Z: 87 59.104 2.256 1.092 0.485 0.860 0.512 CB 1.593 87 residues pruned to eliminate duplicates Z: 98 61.332 2.319 0.972 0.473 0.887 0.546 CB 1.578 98 residues pruned to eliminate duplicates Z: 60 59.582 2.330 1.056 0.551 0.932 0.610 CB 1.652 60 residues pruned to eliminate duplicates Z: 14 28.479 2.216 1.238 0.605 1.000 0.692 CB 1.442 14 residues pruned to eliminate duplicates Z: 43 41.650 2.241 1.049 0.450 0.881 0.524 CB 1.673 43 residues pruned to eliminate duplicates Z: 84 63.108 2.287 1.070 0.496 0.892 0.578 CB 1.648 84 residues pruned to eliminate duplicates Z: 84 71.459 2.337 1.118 0.508 0.928 0.554 CB 1.694 84 residues pruned to eliminate duplicates Z: 85 65.585 2.300 1.004 0.519 0.917 0.595 CB 1.662 85 residues pruned to eliminate duplicates Z: 37 43.902 2.326 0.885 0.536 0.917 0.528 CB 1.757 47 residues pruned to eliminate duplicates Z: 27 32.927 2.239 0.912 0.497 0.846 0.654 CB 1.788 27 residues pruned to eliminate duplicates Z: 27 31.017 2.274 0.930 0.465 0.808 0.577 CB 1.778 27 residues pruned to eliminate duplicates Z: 42 46.224 2.277 0.972 0.589 0.902 0.561 CB 1.636 42 residues pruned to eliminate duplicates Z: 38 37.991 2.283 0.937 0.515 0.838 0.486 CB 1.661 38 residues pruned to eliminate duplicates Z: 23 33.806 2.354 0.742 0.621 0.909 0.727 CB 1.725 23 residues pruned to eliminate duplicates Z: 28 32.710 2.351 0.773 0.531 0.926 0.556 CB 1.582 28 residues pruned to eliminate duplicates Z: 40 52.227 2.339 0.994 0.591 0.923 0.513 CB 1.780 40 residues pruned to eliminate duplicates Z: 25 33.997 2.301 0.921 0.623 0.917 0.708 CB 1.525 25 residues pruned to eliminate duplicates Z: 43 35.999 2.190 0.997 0.474 0.810 0.595 CB 1.612 43 residues pruned to eliminate duplicates Z: 26 34.509 2.424 0.899 0.536 0.840 0.720 CB 1.723 26 residues pruned to eliminate duplicates Z: 28 39.573 2.360 0.991 0.540 0.926 0.741 CB 1.684 28 residues pruned to eliminate duplicates Z: 39 50.468 2.360 0.969 0.598 0.921 0.579 CB 1.742 39 residues pruned to eliminate duplicates Z: 30 31.857 2.294 0.786 0.511 0.862 0.552 CB 1.656 30 residues pruned to eliminate duplicates Z: 27 42.045 2.389 0.950 0.606 0.923 0.808 CB 1.734 27 residues pruned to eliminate duplicates Z: 54 42.287 2.183 1.003 0.538 0.868 0.566 CB 1.474 54 residues pruned to eliminate duplicates Z: 23 37.512 2.374 0.854 0.678 0.955 0.818 CB 1.616 23 residues pruned to eliminate duplicates Z: 27 38.290 2.389 0.934 0.564 0.885 0.654 CB 1.727 27 residues pruned to eliminate duplicates Z: 30 31.143 2.253 0.889 0.528 0.828 0.621 CB 1.597 30 residues pruned to eliminate duplicates Z: 28 39.678 2.363 0.926 0.580 0.889 0.741 CB 1.748 28 residues pruned to eliminate duplicates Z: 28 41.056 2.377 1.048 0.578 0.889 0.667 CB 1.693 28 residues pruned to eliminate duplicates Z: 20 20.509 2.213 0.564 0.449 0.895 0.421 CA 1.600 20 residues pruned to eliminate duplicates Z: 8 6.035 1.897 0.576 0.474 0.857 0.429 CB 0.914 8 residues pruned to eliminate duplicates Z: 29 36.888 2.312 0.821 0.578 0.929 0.607 CB 1.654 29 residues pruned to eliminate duplicates Z: 14 33.445 2.363 1.048 0.606 0.923 0.538 CA 1.878 14 residues pruned to eliminate duplicates Z: 22 23.480 2.131 0.970 0.476 0.810 0.381 CB 1.545 22 residues pruned to eliminate duplicates Z: 16 30.234 2.342 0.990 0.528 0.867 0.400 CA 1.879 16 residues pruned to eliminate duplicates Z: 11 19.736 2.278 1.003 0.474 0.900 0.500 CA 1.560 11 residues pruned to eliminate duplicates Z: 16 26.861 2.304 0.951 0.526 0.867 0.467 CA 1.735 16 residues pruned to eliminate duplicates Z: 10 24.705 2.314 1.103 0.534 1.000 0.667 CA 1.637 10 residues pruned to eliminate duplicates Z: 15 23.247 2.365 0.916 0.547 0.786 0.500 CA 1.666 15 residues pruned to eliminate duplicates Z: 46 42.380 2.268 0.890 0.545 0.844 0.600 CB 1.670 52 residues pruned to eliminate duplicates Z: 61 48.464 2.227 1.062 0.512 0.800 0.550 CB 1.683 61 residues pruned to eliminate duplicates Z: 7 22.221 2.296 1.131 0.599 1.000 0.667 CA 1.687 7 residues pruned to eliminate duplicates Z: 55 47.779 2.266 1.011 0.500 0.833 0.537 CB 1.712 64 residues pruned to eliminate duplicates Z: 34 35.220 2.258 0.868 0.453 0.909 0.545 CB 1.678 34 residues pruned to eliminate duplicates Z: 16 18.944 2.234 0.567 0.458 0.867 0.467 CA 1.684 16 residues pruned to eliminate duplicates Z: 23 21.493 2.157 0.596 0.386 0.909 0.364 CB 1.652 23 residues pruned to eliminate duplicates Z: 18 17.013 2.215 0.644 0.347 0.824 0.471 CB 1.625 18 residues pruned to eliminate duplicates Z: 18 18.575 2.210 0.666 0.417 0.882 0.588 CB 1.512 18 residues pruned to eliminate duplicates Z: 19 15.937 2.188 0.600 0.421 0.778 0.500 CB 1.499 19 residues pruned to eliminate duplicates Z: 34 24.587 2.179 0.721 0.422 0.788 0.515 CB 1.571 34 residues pruned to eliminate duplicates Z: 59 35.566 2.230 0.729 0.478 0.845 0.534 CB 1.466 73 residues pruned to eliminate duplicates Z: 8 13.200 2.127 0.412 0.489 1.000 0.571 N 1.679 8 residues pruned to eliminate duplicates Z: 7 6.441 1.885 0.496 0.400 0.833 0.500 CA 1.243 7 residues pruned to eliminate duplicates Z: 7 12.199 2.417 0.843 0.541 0.667 0.667 CB 1.611 7 residues pruned to eliminate duplicates Z: 28 23.912 2.196 0.874 0.380 0.778 0.519 CB 1.635 28 residues pruned to eliminate duplicates Z: 16 16.893 2.290 0.701 0.396 0.800 0.600 CB 1.563 16 residues pruned to eliminate duplicates Z: 16 16.289 2.210 0.774 0.392 0.800 0.533 CB 1.503 16 residues pruned to eliminate duplicates Z: 15 18.334 2.243 0.863 0.460 0.857 0.643 CB 1.426 15 residues pruned to eliminate duplicates Z: 17 14.803 2.183 0.552 0.469 0.750 0.500 CB 1.502 17 residues pruned to eliminate duplicates Z: 28 26.579 2.246 0.627 0.494 0.852 0.481 CA 1.652 28 residues pruned to eliminate duplicates Z: 27 25.107 2.298 0.662 0.447 0.808 0.538 CB 1.685 27 residues pruned to eliminate duplicates Z: 21 18.471 2.309 0.642 0.442 0.750 0.400 CB 1.541 21 residues pruned to eliminate duplicates Z: 29 29.536 2.298 0.844 0.469 0.821 0.536 CB 1.656 29 residues pruned to eliminate duplicates Z: 32 38.322 2.335 1.131 0.583 0.806 0.645 CB 1.584 32 residues pruned to eliminate duplicates Z: 18 17.100 2.256 0.669 0.498 0.765 0.471 CB 1.443 18 residues pruned to eliminate duplicates Z: 30 40.379 2.392 0.893 0.597 0.931 0.621 CB 1.622 30 residues pruned to eliminate duplicates Z: 13 25.679 2.471 0.833 0.528 0.917 0.500 CA 1.737 13 residues pruned to eliminate duplicates Z: 36 41.061 2.382 1.074 0.540 0.857 0.600 CB 1.576 28 residues pruned to eliminate duplicates Z: 11 23.719 2.210 0.780 0.905 1.000 0.900 CA 1.358 10 residues pruned to eliminate duplicates Z: 11 17.418 2.097 0.596 0.837 0.900 0.800 CA 1.368 11 residues pruned to eliminate duplicates Z: 12 20.173 2.015 1.015 0.884 0.909 0.545 CA 1.191 11 residues pruned to eliminate duplicates Z: 11 26.804 2.245 0.905 0.883 1.000 0.900 CA 1.433 11 residues pruned to eliminate duplicates Z: 42 44.300 2.404 0.843 0.545 0.927 0.707 CB 1.612 42 residues pruned to eliminate duplicates Z: 46 41.570 2.358 0.857 0.500 0.911 0.578 CB 1.553 31 residues pruned to eliminate duplicates Z: 15 23.585 2.009 1.113 0.759 1.000 0.643 CB 1.180 15 residues pruned to eliminate duplicates Z: 44 44.886 2.391 0.970 0.518 0.884 0.651 CB 1.616 30 residues pruned to eliminate duplicates Z: 16 24.193 2.201 0.750 0.721 0.867 0.800 CA 1.532 16 residues pruned to eliminate duplicates Z: 31 31.784 2.359 0.731 0.485 0.900 0.700 CB 1.603 31 residues pruned to eliminate duplicates Z: 13 30.386 2.277 0.822 0.869 1.000 0.833 CA 1.544 13 residues pruned to eliminate duplicates Z: 46 41.901 2.415 0.881 0.516 0.867 0.600 CB 1.562 46 residues pruned to eliminate duplicates Z: 42 46.875 2.377 0.994 0.523 0.902 0.537 CB 1.672 42 residues pruned to eliminate duplicates Z: 30 41.780 2.398 1.094 0.598 0.897 0.586 CB 1.570 30 residues pruned to eliminate duplicates Z: 29 37.972 2.441 1.110 0.485 0.857 0.643 CB 1.650 29 residues pruned to eliminate duplicates Z: 29 45.690 2.429 1.221 0.615 0.893 0.643 CB 1.607 29 residues pruned to eliminate duplicates Z: 27 39.156 2.458 0.933 0.538 0.885 0.692 CB 1.761 27 residues pruned to eliminate duplicates Z: 44 42.787 2.419 0.870 0.516 0.860 0.651 CB 1.650 44 residues pruned to eliminate duplicates Z: 13 37.542 2.306 1.204 0.871 0.917 0.583 CA 1.698 13 residues pruned to eliminate duplicates Z: 27 40.625 2.484 1.010 0.529 0.923 0.577 CB 1.679 27 residues pruned to eliminate duplicates Z: 42 46.271 2.433 0.937 0.528 0.902 0.634 CB 1.653 42 residues pruned to eliminate duplicates Z: 44 46.282 2.376 1.000 0.516 0.884 0.535 CB 1.653 44 residues pruned to eliminate duplicates Z: 6 3.420 1.885 0.562 0.333 0.800 0.600 CA 0.780 Z: 6 9.767 2.192 0.790 0.343 0.800 0.600 O 1.650 12 residues pruned to eliminate duplicates Z: 46 39.898 2.376 0.876 0.422 0.911 0.533 CB 1.589 46 residues pruned to eliminate duplicates Z: 16 18.464 2.467 0.656 0.311 0.800 0.533 CB 1.798 16 residues pruned to eliminate duplicates Z: 17 19.949 2.416 0.720 0.386 0.812 0.688 CB 1.668 17 residues pruned to eliminate duplicates Z: 42 53.564 2.418 1.153 0.558 0.927 0.561 CB 1.639 42 residues pruned to eliminate duplicates Z: 16 22.033 2.445 0.644 0.365 0.933 0.667 CA 1.754 16 residues pruned to eliminate duplicates Z: 7 7.347 2.360 0.250 0.193 1.000 0.333 CA 1.467 7 residues pruned to eliminate duplicates Z: 17 16.086 2.379 0.573 0.309 0.812 0.562 CB 1.634 17 residues pruned to eliminate duplicates Z: 29 26.852 2.284 0.947 0.371 0.786 0.571 CB 1.668 29 residues pruned to eliminate duplicates Z: 18 27.585 2.348 0.891 0.380 0.941 0.647 CB 1.819 18 residues pruned to eliminate duplicates Z: 15 40.935 2.176 1.358 0.783 1.000 0.714 CA 1.662 16 residues pruned to eliminate duplicates Z: 13 37.159 2.340 1.069 0.746 1.000 0.833 CA 1.778 13 residues pruned to eliminate duplicates Z: 42 49.172 2.512 0.975 0.534 0.902 0.683 CB 1.659 42 residues pruned to eliminate duplicates Z: 46 46.270 2.416 0.883 0.507 0.911 0.600 CB 1.652 46 residues pruned to eliminate duplicates Z: 45 47.734 2.455 0.903 0.533 0.886 0.705 CB 1.683 45 residues pruned to eliminate duplicates Z: 46 51.096 2.444 0.892 0.530 0.956 0.667 CB 1.674 46 residues pruned to eliminate duplicates Z: 12 34.336 2.067 1.543 0.900 1.000 0.545 CB 1.407 12 residues pruned to eliminate duplicates Z: 46 43.209 2.443 0.859 0.519 0.844 0.556 CB 1.649 46 residues pruned to eliminate duplicates Z: 45 43.372 2.441 0.847 0.524 0.886 0.659 CB 1.598 45 residues pruned to eliminate duplicates Z: 43 49.278 2.477 0.911 0.528 0.929 0.595 CB 1.684 43 residues pruned to eliminate duplicates Z: 42 51.120 2.499 0.992 0.543 0.902 0.634 CB 1.704 42 residues pruned to eliminate duplicates Z: 44 48.645 2.471 0.951 0.544 0.884 0.558 CB 1.668 44 residues pruned to eliminate duplicates Z: 15 32.039 2.332 1.051 0.636 1.000 0.643 CB 1.576 15 residues pruned to eliminate duplicates Z: 44 42.073 2.418 0.752 0.494 0.907 0.535 CB 1.680 44 residues pruned to eliminate duplicates Z: 47 44.394 2.413 0.898 0.519 0.913 0.522 CB 1.536 47 residues pruned to eliminate duplicates Z: 46 47.434 2.415 0.963 0.504 0.889 0.622 CB 1.672 46 residues pruned to eliminate duplicates Z: 31 43.645 2.401 1.103 0.592 0.900 0.467 CB 1.605 31 residues pruned to eliminate duplicates Z: 46 45.925 2.411 0.981 0.528 0.889 0.556 CB 1.568 46 residues pruned to eliminate duplicates Z: 33 33.554 2.434 0.785 0.491 0.906 0.500 CB 1.519 33 residues pruned to eliminate duplicates Z: 44 46.651 2.470 0.972 0.531 0.860 0.558 CB 1.646 44 residues pruned to eliminate duplicates Z: 15 40.341 2.395 1.515 0.667 1.000 0.357 CB 1.534 15 residues pruned to eliminate duplicates Z: 45 45.781 2.430 1.002 0.501 0.864 0.545 CB 1.641 45 residues pruned to eliminate duplicates Z: 54 50.583 2.384 1.004 0.527 0.887 0.509 CB 1.597 52 residues pruned to eliminate duplicates Z: 14 40.457 2.335 1.594 0.795 0.846 0.692 CB 1.690 14 residues pruned to eliminate duplicates Z: 43 44.833 2.429 0.935 0.486 0.881 0.500 CB 1.694 43 residues pruned to eliminate duplicates Z: 36 46.490 2.515 0.964 0.498 0.943 0.543 CB 1.690 36 residues pruned to eliminate duplicates Z: 44 55.974 2.487 1.070 0.571 0.930 0.674 CB 1.664 44 residues pruned to eliminate duplicates Z: 39 45.575 2.432 1.041 0.532 0.895 0.421 CB 1.614 39 residues pruned to eliminate duplicates Z: 34 38.607 2.402 1.027 0.465 0.909 0.455 CB 1.574 34 residues pruned to eliminate duplicates Z: 19 21.161 2.395 0.687 0.391 0.889 0.611 CB 1.559 19 residues pruned to eliminate duplicates Z: 27 20.869 2.329 0.814 0.421 0.731 0.423 CB 1.440 27 residues pruned to eliminate duplicates Z: 45 50.973 2.451 1.104 0.532 0.886 0.455 CB 1.629 45 residues pruned to eliminate duplicates Z: 19 17.682 2.404 0.695 0.364 0.778 0.556 CB 1.523 19 residues pruned to eliminate duplicates Z: 33 39.390 2.445 0.977 0.512 0.906 0.500 CB 1.571 33 residues pruned to eliminate duplicates Z: 60 50.225 2.396 1.042 0.509 0.881 0.610 CB 1.504 60 residues pruned to eliminate duplicates Z: 9 11.277 2.296 0.392 0.470 0.875 0.375 CB 1.469 9 residues pruned to eliminate duplicates Z: 40 50.985 2.443 1.076 0.494 0.923 0.538 CB 1.755 40 residues pruned to eliminate duplicates Z: 21 20.026 2.367 0.691 0.358 0.800 0.500 CB 1.630 21 residues pruned to eliminate duplicates Z: 46 43.203 2.404 0.969 0.541 0.889 0.400 CB 1.470 46 residues pruned to eliminate duplicates Z: 45 51.647 2.420 1.079 0.566 0.909 0.614 CB 1.597 45 residues pruned to eliminate duplicates Z: 46 46.387 2.418 1.056 0.538 0.889 0.489 CB 1.508 46 residues pruned to eliminate duplicates Z: 22 17.450 1.984 0.941 0.351 0.857 0.381 CB 1.356 22 residues pruned to eliminate duplicates Z: 19 19.311 2.136 1.063 0.399 0.833 0.556 CB 1.379 19 residues pruned to eliminate duplicates Z: 20 20.182 2.198 1.008 0.407 0.842 0.368 CB 1.373 20 residues pruned to eliminate duplicates Z: 13 16.480 2.041 0.812 0.363 0.917 0.417 CA 1.626 13 residues pruned to eliminate duplicates Z: 21 15.883 2.115 0.699 0.383 0.800 0.400 CB 1.398 21 residues pruned to eliminate duplicates Z: 14 17.942 1.949 0.969 0.408 0.923 0.538 CB 1.548 14 residues pruned to eliminate duplicates Z: 41 31.963 2.216 0.908 0.439 0.850 0.525 CB 1.497 41 residues pruned to eliminate duplicates Z: 16 25.737 2.241 1.183 0.514 0.867 0.533 CB 1.546 16 residues pruned to eliminate duplicates Z: 7 4.525 1.516 0.873 0.273 1.000 0.333 CB 0.842 7 residues pruned to eliminate duplicates Z: 76 52.099 2.287 0.868 0.462 0.880 0.480 CB 1.664 76 residues pruned to eliminate duplicates Z: 54 37.338 2.231 0.849 0.437 0.887 0.434 CB 1.496 54 residues pruned to eliminate duplicates Z: 18 21.213 2.151 1.016 0.498 0.882 0.647 CB 1.347 18 residues pruned to eliminate duplicates Z: 89 58.663 2.345 0.911 0.473 0.830 0.557 CB 1.729 89 residues pruned to eliminate duplicates Z: 26 29.806 2.331 1.016 0.457 0.840 0.520 CB 1.579 26 residues pruned to eliminate duplicates Z: 26 29.079 2.296 0.975 0.438 0.920 0.520 CB 1.486 26 residues pruned to eliminate duplicates Z: 41 34.825 2.215 0.945 0.432 0.900 0.575 CB 1.524 41 residues pruned to eliminate duplicates Z: 27 29.401 2.297 0.915 0.417 0.923 0.500 CB 1.549 27 residues pruned to eliminate duplicates Z: 27 29.822 2.253 0.953 0.489 0.846 0.615 CB 1.587 27 residues pruned to eliminate duplicates Z: 85 57.743 2.315 0.918 0.458 0.869 0.488 CB 1.704 85 residues pruned to eliminate duplicates Z: 29 22.563 2.134 0.868 0.360 0.821 0.536 CB 1.514 29 residues pruned to eliminate duplicates Z: 27 27.086 2.280 0.938 0.436 0.808 0.577 CB 1.590 27 residues pruned to eliminate duplicates Z: 38 27.658 2.233 0.886 0.372 0.811 0.514 CB 1.527 38 residues pruned to eliminate duplicates Z: 49 36.217 2.207 0.917 0.428 0.854 0.458 CB 1.558 49 residues pruned to eliminate duplicates Z: 38 35.836 2.188 0.966 0.442 0.892 0.595 CB 1.630 38 residues pruned to eliminate duplicates Z: 21 29.789 2.258 1.077 0.493 0.900 0.600 CB 1.590 21 residues pruned to eliminate duplicates Z: 42 34.971 2.215 0.903 0.440 0.878 0.561 CB 1.570 42 residues pruned to eliminate duplicates Z: 25 30.409 2.358 0.858 0.438 0.917 0.542 CB 1.648 25 residues pruned to eliminate duplicates Z: 29 27.150 2.211 0.851 0.456 0.893 0.536 CB 1.468 29 residues pruned to eliminate duplicates Z: 26 29.904 2.318 0.851 0.431 0.920 0.600 CB 1.628 26 residues pruned to eliminate duplicates Z: 16 10.680 1.827 0.696 0.461 0.867 0.533 CB 1.068 Z: 7 2.441 1.462 0.502 0.281 0.833 0.500 CB 0.697 7 residues pruned to eliminate duplicates Z: 27 31.268 2.315 0.843 0.505 0.885 0.615 CB 1.616 43 residues pruned to eliminate duplicates Z: 48 30.807 2.211 0.738 0.396 0.872 0.574 CB 1.497 48 residues pruned to eliminate duplicates Z: 30 31.268 2.345 0.920 0.417 0.897 0.517 CB 1.568 30 residues pruned to eliminate duplicates Z: 83 54.314 2.375 0.856 0.444 0.866 0.524 CB 1.664 83 residues pruned to eliminate duplicates Z: 54 49.972 2.414 0.966 0.461 0.887 0.528 CB 1.698 54 residues pruned to eliminate duplicates Z: 69 51.794 2.326 0.929 0.468 0.882 0.485 CB 1.640 69 residues pruned to eliminate duplicates Z: 113 67.016 2.288 0.854 0.507 0.875 0.536 CB 1.694 113 residues pruned to eliminate duplicates Z: 58 59.569 2.367 1.028 0.509 0.895 0.526 CB 1.821 58 residues pruned to eliminate duplicates Z: 80 53.030 2.354 0.970 0.455 0.823 0.456 CB 1.637 80 residues pruned to eliminate duplicates Z: 64 64.224 2.355 1.060 0.525 0.905 0.587 CB 1.800 64 residues pruned to eliminate duplicates Z: 58 61.398 2.398 1.141 0.499 0.895 0.596 CB 1.773 58 residues pruned to eliminate duplicates Z: 67 56.270 2.310 0.896 0.549 0.879 0.530 CB 1.715 67 residues pruned to eliminate duplicates Z: 70 55.026 2.416 0.983 0.460 0.841 0.580 CB 1.714 70 residues pruned to eliminate duplicates Z: 45 63.462 2.419 1.198 0.563 0.955 0.591 CB 1.773 45 residues pruned to eliminate duplicates Z: 51 51.098 2.388 1.014 0.493 0.900 0.500 CB 1.681 51 residues pruned to eliminate duplicates Z: 99 68.832 2.353 0.922 0.507 0.908 0.551 CB 1.681 98 residues pruned to eliminate duplicates Z: 18 47.070 2.348 1.149 0.879 0.941 0.471 CB 1.744 18 residues pruned to eliminate duplicates Z: 95 64.020 2.270 0.880 0.535 0.862 0.574 CB 1.734 95 residues pruned to eliminate duplicates Z: 106 63.590 2.276 0.867 0.502 0.905 0.562 CB 1.611 106 residues pruned to eliminate duplicates Z: 91 57.023 2.286 0.862 0.454 0.889 0.456 CB 1.665 91 residues pruned to eliminate duplicates Z: 37 58.428 2.495 1.153 0.570 0.889 0.472 CB 1.907 37 residues pruned to eliminate duplicates Z: 67 58.549 2.369 0.919 0.500 0.894 0.576 CB 1.772 67 residues pruned to eliminate duplicates Z: 67 64.653 2.348 1.017 0.570 0.894 0.530 CB 1.757 67 residues pruned to eliminate duplicates Z: 85 67.350 2.387 0.991 0.504 0.893 0.571 CB 1.725 85 residues pruned to eliminate duplicates Z: 39 58.074 2.485 1.189 0.546 0.921 0.579 CB 1.798 39 residues pruned to eliminate duplicates Z: 38 63.082 2.509 1.155 0.562 0.973 0.595 CB 1.858 38 residues pruned to eliminate duplicates Z: 37 40.787 2.306 1.195 0.440 0.917 0.472 CB 1.558 37 residues pruned to eliminate duplicates Z: 39 60.782 2.572 1.212 0.558 0.895 0.500 CB 1.832 39 residues pruned to eliminate duplicates Z: 46 37.961 2.176 0.885 0.468 0.889 0.556 CB 1.604 46 residues pruned to eliminate duplicates Z: 43 60.185 2.463 1.178 0.536 0.905 0.619 CB 1.846 43 residues pruned to eliminate duplicates Z: 59 50.592 2.364 0.996 0.444 0.845 0.500 CB 1.764 59 residues pruned to eliminate duplicates Z: 141 75.984 2.276 0.879 0.486 0.921 0.579 CB 1.653 141 residues pruned to eliminate duplicates Z: 107 65.419 2.300 0.937 0.479 0.887 0.519 CB 1.643 107 residues pruned to eliminate duplicates Z: 46 60.430 2.535 1.067 0.515 0.867 0.533 CB 1.954 46 residues pruned to eliminate duplicates Z: 45 57.378 2.435 1.111 0.540 0.932 0.636 CB 1.736 45 residues pruned to eliminate duplicates Z: 65 55.589 2.427 1.061 0.497 0.859 0.484 CB 1.621 65 residues pruned to eliminate duplicates Z: 49 57.999 2.428 1.151 0.470 0.917 0.500 CB 1.802 49 residues pruned to eliminate duplicates Z: 65 52.684 2.382 0.941 0.484 0.891 0.422 CB 1.626 65 residues pruned to eliminate duplicates Z: 48 52.029 2.403 1.172 0.504 0.872 0.596 CB 1.660 48 residues pruned to eliminate duplicates Z: 76 73.488 2.441 1.101 0.484 0.960 0.587 CB 1.752 76 residues pruned to eliminate duplicates Z: 61 57.218 2.402 0.958 0.544 0.867 0.433 CB 1.736 61 residues pruned to eliminate duplicates Z: 55 55.132 2.359 1.163 0.449 0.852 0.444 CB 1.818 55 residues pruned to eliminate duplicates Z: 59 63.072 2.440 1.045 0.536 0.897 0.517 CB 1.787 59 residues pruned to eliminate duplicates Z: 31 25.591 2.234 0.935 0.334 0.767 0.433 CB 1.692 31 residues pruned to eliminate duplicates Z: 25 33.114 2.361 0.974 0.379 0.875 0.458 CB 1.886 25 residues pruned to eliminate duplicates Z: 122 58.332 2.235 0.781 0.464 0.876 0.537 CB 1.578 122 residues pruned to eliminate duplicates Z: 56 61.017 2.424 1.130 0.477 0.909 0.545 CB 1.795 56 residues pruned to eliminate duplicates Z: 40 40.896 2.355 0.809 0.485 0.923 0.410 CB 1.690 40 residues pruned to eliminate duplicates Z: 65 66.054 2.361 1.033 0.528 0.938 0.562 CB 1.785 65 residues pruned to eliminate duplicates Z: 44 43.919 2.253 0.986 0.478 0.907 0.442 CB 1.688 44 residues pruned to eliminate duplicates Z: 88 69.697 2.311 0.952 0.531 0.943 0.552 CB 1.704 88 residues pruned to eliminate duplicates Z: 131 69.500 2.256 0.838 0.496 0.923 0.531 CB 1.600 131 residues pruned to eliminate duplicates Z: 85 54.900 2.308 0.862 0.449 0.857 0.512 CB 1.714 85 residues pruned to eliminate duplicates Z: 103 70.054 2.325 1.038 0.490 0.873 0.529 CB 1.696 103 residues pruned to eliminate duplicates Z: 57 62.091 2.385 1.059 0.566 0.893 0.536 CB 1.775 57 residues pruned to eliminate duplicates Z: 88 75.309 2.361 1.040 0.510 0.931 0.529 CB 1.782 88 residues pruned to eliminate duplicates Z: 60 72.832 2.447 1.148 0.571 0.932 0.576 CB 1.807 60 residues pruned to eliminate duplicates Z: 104 65.092 2.259 0.896 0.490 0.883 0.524 CB 1.713 104 residues pruned to eliminate duplicates Z: 43 45.199 2.277 1.094 0.452 0.881 0.571 CB 1.744 43 residues pruned to eliminate duplicates Z: 112 62.456 2.280 0.891 0.438 0.883 0.432 CB 1.660 112 residues pruned to eliminate duplicates Z: 82 69.547 2.303 1.059 0.510 0.914 0.568 CB 1.766 82 residues pruned to eliminate duplicates Z: 45 48.520 2.280 1.107 0.457 0.909 0.500 CB 1.750 45 residues pruned to eliminate duplicates Z: 47 45.090 2.243 1.052 0.458 0.891 0.522 CB 1.691 47 residues pruned to eliminate duplicates Z: 49 49.065 2.218 0.849 0.621 0.938 0.625 CB 1.642 49 residues pruned to eliminate duplicates Z: 117 74.897 2.304 0.890 0.518 0.914 0.560 CB 1.717 117 residues pruned to eliminate duplicates Z: 51 35.551 2.206 0.648 0.529 0.860 0.600 CB 1.563 51 residues pruned to eliminate duplicates Z: 48 39.729 2.202 0.719 0.543 0.915 0.553 CB 1.604 48 residues pruned to eliminate duplicates Z: 24 28.762 2.080 0.689 0.678 1.000 0.870 CA 1.449 24 residues pruned to eliminate duplicates Z: 23 35.161 2.191 0.891 0.661 0.955 0.773 CA 1.633 23 residues pruned to eliminate duplicates Z: 23 30.527 2.158 0.762 0.651 0.955 0.682 CA 1.558 23 residues pruned to eliminate duplicates Z: 24 28.501 2.164 0.669 0.621 0.957 0.783 CA 1.534 24 residues pruned to eliminate duplicates Z: 23 33.313 2.181 0.880 0.652 0.955 0.773 CA 1.575 23 residues pruned to eliminate duplicates Z: 59 36.667 2.173 0.648 0.483 0.879 0.569 CB 1.555 59 residues pruned to eliminate duplicates Z: 28 27.651 2.183 0.753 0.566 0.889 0.630 CB 1.467 28 residues pruned to eliminate duplicates Z: 21 41.277 2.294 1.102 0.695 0.950 0.700 CA 1.686 21 residues pruned to eliminate duplicates Z: 30 31.081 2.142 0.798 0.589 0.931 0.621 CB 1.478 30 residues pruned to eliminate duplicates Z: 42 39.019 2.154 1.009 0.571 0.878 0.537 CB 1.498 42 residues pruned to eliminate duplicates Z: 24 34.711 2.105 0.958 0.639 0.957 0.696 CA 1.612 24 residues pruned to eliminate duplicates Z: 29 31.709 2.100 0.849 0.592 0.929 0.679 CB 1.521 29 residues pruned to eliminate duplicates Z: 29 33.134 2.097 0.979 0.557 0.893 0.571 CB 1.599 29 residues pruned to eliminate duplicates Z: 43 33.661 2.169 0.789 0.523 0.857 0.524 CB 1.527 43 residues pruned to eliminate duplicates Z: 47 36.216 2.149 0.848 0.563 0.826 0.478 CB 1.532 47 residues pruned to eliminate duplicates Z: 29 33.055 2.139 0.956 0.633 0.893 0.643 CB 1.476 29 residues pruned to eliminate duplicates Z: 23 38.343 2.199 1.137 0.661 0.909 0.727 CA 1.648 23 residues pruned to eliminate duplicates Z: 31 28.081 2.113 0.798 0.535 0.867 0.633 CB 1.504 31 residues pruned to eliminate duplicates Z: 63 39.143 2.140 0.860 0.511 0.855 0.581 CB 1.445 63 residues pruned to eliminate duplicates Z: 40 42.114 2.171 0.997 0.604 0.897 0.590 CB 1.571 40 residues pruned to eliminate duplicates Z: 45 40.936 2.198 0.834 0.547 0.909 0.477 CB 1.608 45 residues pruned to eliminate duplicates Z: 41 41.327 2.145 0.952 0.581 0.925 0.625 CB 1.561 41 residues pruned to eliminate duplicates Z: 48 41.223 2.199 0.852 0.548 0.872 0.532 CB 1.616 48 residues pruned to eliminate duplicates Z: 50 44.885 2.221 0.876 0.566 0.898 0.633 CB 1.606 50 residues pruned to eliminate duplicates Z: 40 44.545 2.198 0.949 0.574 0.974 0.590 CB 1.592 40 residues pruned to eliminate duplicates Z: 39 38.373 2.176 0.888 0.569 0.895 0.632 CB 1.584 39 residues pruned to eliminate duplicates Z: 50 44.113 2.198 0.832 0.537 0.939 0.551 CB 1.608 50 residues pruned to eliminate duplicates Z: 29 16.869 2.099 0.480 0.457 0.750 0.464 CB 1.430 29 residues pruned to eliminate duplicates Z: 33 22.006 2.031 0.699 0.418 0.812 0.594 CB 1.511 33 residues pruned to eliminate duplicates Z: 27 29.945 2.203 0.850 0.531 0.885 0.500 CB 1.581 27 residues pruned to eliminate duplicates Z: 21 17.410 1.964 0.663 0.469 0.850 0.400 CB 1.447 21 residues pruned to eliminate duplicates Z: 23 18.531 2.052 0.679 0.467 0.818 0.318 CB 1.450 23 residues pruned to eliminate duplicates Z: 26 25.331 2.189 0.656 0.511 0.840 0.560 CB 1.646 26 residues pruned to eliminate duplicates Z: 47 51.907 2.250 0.983 0.565 0.957 0.565 CB 1.684 47 residues pruned to eliminate duplicates Z: 21 22.417 2.101 0.773 0.496 0.850 0.500 CB 1.589 21 residues pruned to eliminate duplicates Z: 27 25.623 2.098 0.689 0.473 0.885 0.500 CB 1.647 27 residues pruned to eliminate duplicates Z: 26 27.277 2.158 0.747 0.484 0.920 0.560 CB 1.599 26 residues pruned to eliminate duplicates Z: 20 19.007 2.115 0.718 0.474 0.895 0.474 CB 1.377 20 residues pruned to eliminate duplicates Z: 10 15.730 2.227 0.715 0.404 0.889 0.444 CB 1.709 10 residues pruned to eliminate duplicates Z: 22 13.919 2.125 0.653 0.440 0.714 0.619 CB 1.288 22 residues pruned to eliminate duplicates Z: 21 25.973 2.159 0.816 0.542 0.950 0.600 CB 1.497 21 residues pruned to eliminate duplicates Z: 11 16.425 2.234 0.750 0.526 0.900 0.700 CB 1.439 11 residues pruned to eliminate duplicates Z: 11 18.179 2.219 0.806 0.503 1.000 0.600 CB 1.430 11 residues pruned to eliminate duplicates Z: 30 24.516 2.128 0.644 0.485 0.862 0.517 CB 1.532 30 residues pruned to eliminate duplicates Z: 15 14.649 1.967 0.931 0.423 0.929 0.429 CB 1.203 15 residues pruned to eliminate duplicates Z: 24 16.744 2.016 0.888 0.391 0.783 0.522 CB 1.316 24 residues pruned to eliminate duplicates Z: 62 40.426 2.118 0.861 0.509 0.902 0.656 CB 1.443 62 residues pruned to eliminate duplicates Z: 24 14.882 2.068 0.733 0.362 0.913 0.435 CB 1.101 24 residues pruned to eliminate duplicates Z: 16 14.169 2.030 0.640 0.453 0.933 0.467 CB 1.236 16 residues pruned to eliminate duplicates Z: 16 10.866 2.007 0.664 0.452 0.800 0.667 CB 1.103 16 residues pruned to eliminate duplicates Z: 14 15.105 2.047 0.731 0.466 0.923 0.692 CB 1.326 13 residues pruned to eliminate duplicates Z: 9 7.830 1.727 0.590 0.472 0.875 0.625 CA 1.185 9 residues pruned to eliminate duplicates Z: 18 10.780 1.905 0.546 0.296 0.882 0.471 CB 1.264 18 residues pruned to eliminate duplicates Z: 16 6.997 1.865 0.774 0.296 0.667 0.467 CB 1.029 16 residues pruned to eliminate duplicates Z: 15 14.269 1.968 0.649 0.473 0.929 0.571 CB 1.301 15 residues pruned to eliminate duplicates Z: 37 29.175 2.130 0.789 0.539 0.889 0.694 CB 1.382 43 residues pruned to eliminate duplicates 6 1.410 1.690 0.370 0.469 0.600 0.400 CB 0.468 ? Z: 6 3.243 1.823 0.045 0.169 0.800 0.600 CA 1.422 6 residues pruned to eliminate duplicates Z: 44 27.497 2.090 0.648 0.530 0.860 0.512 CB 1.373 44 residues pruned to eliminate duplicates Z: 18 23.309 2.121 0.651 0.484 0.882 0.529 CA 1.860 18 residues pruned to eliminate duplicates Z: 16 27.572 2.302 0.785 0.594 0.933 0.667 CB 1.697 16 residues pruned to eliminate duplicates Z: 32 25.555 2.068 0.711 0.572 0.871 0.677 CB 1.389 32 residues pruned to eliminate duplicates Z: 29 20.189 2.170 0.640 0.375 0.821 0.464 CB 1.491 29 residues pruned to eliminate duplicates Z: 15 29.391 2.283 0.868 0.565 0.929 0.500 CA 1.862 15 residues pruned to eliminate duplicates Z: 34 20.658 2.111 0.598 0.420 0.848 0.515 CB 1.366 34 residues pruned to eliminate duplicates Z: 15 20.610 2.212 0.859 0.554 0.714 0.571 CA 1.779 15 residues pruned to eliminate duplicates Z: 54 30.683 2.162 0.680 0.467 0.868 0.566 CB 1.382 54 residues pruned to eliminate duplicates Z: 19 18.408 2.245 0.456 0.508 0.889 0.667 CB 1.482 19 residues pruned to eliminate duplicates Z: 18 22.495 2.134 0.751 0.521 0.882 0.588 CB 1.621 18 residues pruned to eliminate duplicates Z: 28 28.364 2.094 0.877 0.628 0.852 0.667 CB 1.444 28 residues pruned to eliminate duplicates Z: 48 40.448 2.249 0.734 0.542 0.915 0.574 CB 1.587 72 residues pruned to eliminate duplicates Z: 14 29.199 2.205 1.098 0.831 0.846 0.769 CB 1.554 14 residues pruned to eliminate duplicates Z: 46 38.914 2.277 0.723 0.513 0.911 0.689 CB 1.602 46 residues pruned to eliminate duplicates Z: 43 39.402 2.278 0.739 0.501 0.929 0.524 CB 1.651 43 residues pruned to eliminate duplicates Z: 30 35.411 2.395 0.778 0.534 0.931 0.621 CB 1.604 30 residues pruned to eliminate duplicates Z: 32 30.096 2.301 0.728 0.509 0.903 0.548 CB 1.491 32 residues pruned to eliminate duplicates Z: 29 38.329 2.414 0.774 0.578 0.964 0.714 CB 1.628 29 residues pruned to eliminate duplicates Z: 28 38.877 2.421 0.934 0.566 0.963 0.630 CB 1.557 29 residues pruned to eliminate duplicates Z: 12 30.814 2.237 1.198 0.915 0.909 0.273 CB 1.470 12 residues pruned to eliminate duplicates Z: 59 35.219 2.214 0.772 0.460 0.862 0.414 CB 1.423 59 residues pruned to eliminate duplicates Z: 30 36.898 2.355 0.860 0.563 0.931 0.448 CB 1.581 30 residues pruned to eliminate duplicates Z: 11 42.113 2.397 1.418 0.918 1.000 0.300 CB 1.621 11 residues pruned to eliminate duplicates Z: 41 37.633 2.322 0.797 0.469 0.900 0.400 CB 1.634 41 residues pruned to eliminate duplicates Z: 34 32.243 2.245 0.876 0.508 0.879 0.424 CB 1.505 34 residues pruned to eliminate duplicates Z: 11 23.033 2.328 1.166 0.709 0.800 0.500 CB 1.493 11 residues pruned to eliminate duplicates Z: 30 38.912 2.378 1.059 0.563 0.931 0.655 CB 1.490 30 residues pruned to eliminate duplicates Z: 18 25.045 2.290 0.788 0.435 0.941 0.529 CB 1.686 18 residues pruned to eliminate duplicates Z: 6 7.032 2.210 0.702 0.308 0.800 0.600 CB 1.293 6 residues pruned to eliminate duplicates Z: 18 19.108 2.248 0.629 0.368 0.941 0.471 CB 1.550 18 residues pruned to eliminate duplicates Z: 30 37.238 2.348 1.026 0.541 0.931 0.586 CB 1.501 30 residues pruned to eliminate duplicates Z: 20 22.830 2.274 0.754 0.365 0.947 0.579 CB 1.602 20 residues pruned to eliminate duplicates Z: 29 31.300 2.264 0.980 0.461 0.893 0.429 CB 1.538 29 residues pruned to eliminate duplicates Z: 18 21.636 2.304 0.599 0.398 1.000 0.529 CB 1.586 18 residues pruned to eliminate duplicates Z: 6 6.251 1.937 0.384 0.302 1.000 0.400 CB 1.300 6 residues pruned to eliminate duplicates Z: 28 32.836 2.316 0.759 0.453 0.963 0.407 CB 1.689 28 residues pruned to eliminate duplicates Z: 6 3.863 1.568 0.517 0.332 0.800 0.600 CA 1.091 6 residues pruned to eliminate duplicates Z: 11 14.805 2.156 0.871 0.487 0.900 0.800 CA 1.306 11 residues pruned to eliminate duplicates Z: 22 15.368 2.104 0.558 0.399 0.810 0.429 CB 1.406 22 residues pruned to eliminate duplicates Z: 44 27.948 2.129 0.986 0.415 0.791 0.488 CB 1.393 44 residues pruned to eliminate duplicates Z: 17 22.963 2.281 0.911 0.484 0.938 0.625 CB 1.427 17 residues pruned to eliminate duplicates Z: 18 16.918 2.166 0.871 0.405 0.765 0.412 CB 1.464 18 residues pruned to eliminate duplicates Z: 17 20.004 2.236 0.849 0.446 0.938 0.500 CB 1.364 17 residues pruned to eliminate duplicates Z: 17 20.957 2.243 0.752 0.463 0.938 0.500 CB 1.477 17 residues pruned to eliminate duplicates Z: 17 21.574 2.221 0.790 0.505 0.938 0.562 CB 1.439 17 residues pruned to eliminate duplicates Z: 17 21.619 2.286 0.729 0.440 0.938 0.438 CB 1.551 26 residues pruned to eliminate duplicates 6 1.811 1.374 0.033 0.324 0.800 0.400 C 0.865 ? Z: 6 7.214 1.886 0.821 0.269 0.800 0.400 CB 1.527 6 residues pruned to eliminate duplicates Z: 19 12.960 2.227 0.630 0.376 0.778 0.444 CB 1.234 19 residues pruned to eliminate duplicates Z: 59 47.656 2.245 0.937 0.496 0.862 0.483 CB 1.675 59 residues pruned to eliminate duplicates Z: 34 22.495 2.185 0.901 0.366 0.727 0.424 CB 1.496 34 residues pruned to eliminate duplicates Z: 41 23.167 2.122 0.743 0.403 0.775 0.400 CB 1.415 41 residues pruned to eliminate duplicates Z: 34 37.467 2.259 0.829 0.537 0.970 0.545 CB 1.569 34 residues pruned to eliminate duplicates Z: 98 58.894 2.184 0.977 0.471 0.887 0.464 CB 1.608 98 residues pruned to eliminate duplicates Z: 23 29.600 2.336 0.989 0.495 0.864 0.409 CB 1.580 23 residues pruned to eliminate duplicates Z: 73 49.456 2.324 0.915 0.440 0.847 0.542 CB 1.644 73 residues pruned to eliminate duplicates Z: 37 32.007 2.156 0.962 0.476 0.917 0.556 CB 1.410 36 residues pruned to eliminate duplicates Z: 6 8.614 1.958 1.182 0.332 0.800 0.600 CA 1.355 6 residues pruned to eliminate duplicates Z: 27 26.106 2.216 1.157 0.392 0.808 0.462 CB 1.486 27 residues pruned to eliminate duplicates Z: 66 46.438 2.314 0.871 0.475 0.862 0.538 CB 1.585 66 residues pruned to eliminate duplicates Z: 34 22.890 2.200 0.717 0.327 0.848 0.455 CB 1.504 34 residues pruned to eliminate duplicates Z: 32 26.901 2.198 0.947 0.385 0.839 0.484 CB 1.521 32 residues pruned to eliminate duplicates Z: 86 54.286 2.255 0.939 0.451 0.847 0.435 CB 1.672 86 residues pruned to eliminate duplicates Z: 29 22.371 2.254 0.722 0.388 0.786 0.464 CB 1.562 29 residues pruned to eliminate duplicates Z: 38 22.620 2.190 0.706 0.370 0.784 0.514 CB 1.459 38 residues pruned to eliminate duplicates Z: 28 22.666 2.243 0.822 0.373 0.778 0.444 CB 1.572 28 residues pruned to eliminate duplicates Z: 26 26.151 2.255 0.849 0.420 0.800 0.520 CB 1.704 26 residues pruned to eliminate duplicates Z: 34 21.632 2.151 0.814 0.271 0.788 0.303 CB 1.588 34 residues pruned to eliminate duplicates Z: 21 22.436 2.308 0.811 0.392 0.800 0.500 CB 1.682 21 residues pruned to eliminate duplicates Z: 64 49.540 2.397 0.879 0.473 0.825 0.540 CB 1.724 64 residues pruned to eliminate duplicates Z: 10 5.660 2.124 0.388 0.226 0.556 0.444 CB 1.586 10 residues pruned to eliminate duplicates Z: 29 20.408 2.296 0.613 0.400 0.714 0.536 CB 1.620 29 residues pruned to eliminate duplicates Z: 44 43.393 2.385 1.056 0.464 0.837 0.535 CB 1.672 44 residues pruned to eliminate duplicates Z: 66 56.030 2.310 0.983 0.508 0.892 0.523 CB 1.687 66 residues pruned to eliminate duplicates Z: 90 52.018 2.246 0.814 0.486 0.831 0.584 CB 1.651 90 residues pruned to eliminate duplicates Z: 43 44.903 2.377 1.008 0.480 0.881 0.690 CB 1.681 43 residues pruned to eliminate duplicates Z: 49 46.709 2.383 1.018 0.475 0.854 0.521 CB 1.682 49 residues pruned to eliminate duplicates Z: 102 67.932 2.278 0.934 0.534 0.881 0.614 CB 1.685 102 residues pruned to eliminate duplicates Z: 66 54.565 2.329 0.933 0.473 0.938 0.554 CB 1.646 67 residues pruned to eliminate duplicates Z: 19 43.831 2.148 1.182 0.881 1.000 0.778 CB 1.596 19 residues pruned to eliminate duplicates Z: 59 50.510 2.316 0.916 0.505 0.897 0.603 CB 1.659 59 residues pruned to eliminate duplicates Z: 34 47.305 2.386 1.090 0.517 0.939 0.636 CB 1.729 34 residues pruned to eliminate duplicates Z: 66 60.949 2.305 1.054 0.508 0.923 0.585 CB 1.717 66 residues pruned to eliminate duplicates Z: 65 50.983 2.300 0.993 0.486 0.859 0.531 CB 1.640 65 residues pruned to eliminate duplicates Z: 81 56.278 2.338 0.915 0.473 0.850 0.575 CB 1.699 81 residues pruned to eliminate duplicates Z: 68 49.461 2.259 0.909 0.449 0.896 0.537 CB 1.649 68 residues pruned to eliminate duplicates Z: 45 41.641 2.352 0.978 0.440 0.886 0.477 CB 1.620 45 residues pruned to eliminate duplicates Z: 38 44.902 2.361 0.987 0.483 0.919 0.649 CB 1.742 38 residues pruned to eliminate duplicates Z: 59 50.027 2.330 0.859 0.543 0.897 0.552 CB 1.621 59 residues pruned to eliminate duplicates Z: 45 41.146 2.399 0.871 0.462 0.841 0.545 CB 1.708 45 residues pruned to eliminate duplicates Z: 41 37.664 2.344 0.936 0.430 0.850 0.425 CB 1.660 41 residues pruned to eliminate duplicates Z: 74 63.153 2.362 1.099 0.499 0.890 0.507 CB 1.676 74 residues pruned to eliminate duplicates Z: 58 55.381 2.330 0.905 0.556 0.912 0.491 CB 1.715 58 residues pruned to eliminate duplicates Z: 37 56.917 2.417 1.198 0.533 0.972 0.556 CB 1.777 37 residues pruned to eliminate duplicates Z: 25 26.893 2.311 0.967 0.368 0.833 0.417 CB 1.670 25 residues pruned to eliminate duplicates Z: 62 53.433 2.251 1.095 0.534 0.885 0.393 CB 1.585 62 residues pruned to eliminate duplicates Z: 66 56.133 2.325 1.045 0.513 0.862 0.569 CB 1.678 66 residues pruned to eliminate duplicates Z: 91 49.705 2.203 0.851 0.427 0.878 0.411 CB 1.578 91 residues pruned to eliminate duplicates Z: 45 51.042 2.297 1.157 0.491 0.932 0.477 CB 1.683 45 residues pruned to eliminate duplicates Z: 85 64.607 2.315 0.991 0.493 0.917 0.500 CB 1.680 85 residues pruned to eliminate duplicates Z: 56 43.411 2.227 0.983 0.469 0.891 0.436 CB 1.535 56 residues pruned to eliminate duplicates Z: 60 59.073 2.402 1.095 0.495 0.898 0.542 CB 1.710 60 residues pruned to eliminate duplicates Z: 55 52.500 2.291 1.185 0.532 0.889 0.444 CB 1.556 55 residues pruned to eliminate duplicates Z: 70 44.770 2.263 0.919 0.433 0.826 0.522 CB 1.610 70 residues pruned to eliminate duplicates Z: 45 54.164 2.410 1.083 0.511 0.932 0.523 CB 1.726 45 residues pruned to eliminate duplicates Z: 45 39.790 2.217 0.921 0.433 0.932 0.409 CB 1.620 54 residues pruned to eliminate duplicates Z: 88 59.007 2.264 0.936 0.512 0.885 0.552 CB 1.612 88 residues pruned to eliminate duplicates Z: 69 54.641 2.264 1.003 0.487 0.926 0.500 CB 1.598 69 residues pruned to eliminate duplicates Z: 55 40.515 2.133 0.867 0.487 0.907 0.519 CB 1.546 55 residues pruned to eliminate duplicates Z: 97 57.077 2.246 0.820 0.501 0.885 0.510 CB 1.609 97 residues pruned to eliminate duplicates Z: 44 41.216 2.208 1.013 0.442 0.930 0.535 CB 1.615 44 residues pruned to eliminate duplicates Z: 126 65.694 2.280 0.926 0.483 0.864 0.504 CB 1.575 126 residues pruned to eliminate duplicates Z: 64 55.941 2.338 1.151 0.522 0.841 0.556 CB 1.630 64 residues pruned to eliminate duplicates Z: 62 49.375 2.334 1.013 0.421 0.869 0.475 CB 1.682 62 residues pruned to eliminate duplicates Z: 64 50.736 2.294 0.931 0.495 0.873 0.444 CB 1.662 64 residues pruned to eliminate duplicates Z: 38 34.757 2.285 0.876 0.387 0.892 0.514 CB 1.684 38 residues pruned to eliminate duplicates Z: 92 60.345 2.273 0.956 0.501 0.890 0.516 CB 1.596 92 residues pruned to eliminate duplicates Z: 19 26.224 2.298 0.960 0.446 0.889 0.500 CA 1.632 19 residues pruned to eliminate duplicates Z: 46 45.693 2.194 1.073 0.480 0.933 0.511 CB 1.638 46 residues pruned to eliminate duplicates Z: 106 63.259 2.300 0.866 0.515 0.857 0.486 CB 1.654 106 residues pruned to eliminate duplicates Z: 43 42.590 2.262 1.018 0.459 0.905 0.524 CA 1.659 43 residues pruned to eliminate duplicates Z: 95 65.348 2.246 0.987 0.533 0.894 0.532 CB 1.637 95 residues pruned to eliminate duplicates Z: 62 58.711 2.309 1.036 0.507 0.934 0.541 CB 1.699 62 residues pruned to eliminate duplicates Z: 68 54.907 2.284 1.070 0.460 0.896 0.582 CB 1.650 68 residues pruned to eliminate duplicates Z: 83 63.865 2.315 0.955 0.484 0.927 0.500 CB 1.709 83 residues pruned to eliminate duplicates Z: 93 58.939 2.261 0.981 0.491 0.859 0.511 CB 1.613 93 residues pruned to eliminate duplicates Z: 25 35.681 2.205 0.991 0.510 0.958 0.583 CB 1.714 25 residues pruned to eliminate duplicates Z: 83 67.986 2.286 1.021 0.554 0.939 0.561 CB 1.642 83 residues pruned to eliminate duplicates Z: 122 70.976 2.283 0.959 0.494 0.901 0.488 CB 1.611 122 residues pruned to eliminate duplicates Z: 7 2.275 1.572 0.061 0.387 0.667 0.333 CB 0.942 7 residues pruned to eliminate duplicates Z: 27 30.857 2.168 0.818 0.534 0.885 0.577 CA 1.679 27 residues pruned to eliminate duplicates Z: 69 54.454 2.181 0.933 0.526 0.971 0.588 CB 1.573 69 residues pruned to eliminate duplicates Z: 40 29.068 2.222 0.627 0.471 0.846 0.513 CB 1.568 40 residues pruned to eliminate duplicates Z: 25 20.253 2.105 0.582 0.512 0.875 0.667 CB 1.403 25 residues pruned to eliminate duplicates Z: 24 30.755 2.172 0.773 0.597 0.913 0.696 CA 1.662 24 residues pruned to eliminate duplicates Z: 90 67.756 2.278 1.061 0.533 0.921 0.596 CB 1.607 90 residues pruned to eliminate duplicates Z: 20 20.235 2.137 0.597 0.598 0.895 0.632 CB 1.385 20 residues pruned to eliminate duplicates Z: 11 17.845 2.230 0.426 0.735 0.900 0.900 CB 1.597 11 residues pruned to eliminate duplicates Z: 28 23.151 2.042 0.606 0.531 0.889 0.667 CB 1.483 28 residues pruned to eliminate duplicates Z: 25 24.627 2.144 0.600 0.566 0.917 0.667 CB 1.500 25 residues pruned to eliminate duplicates Z: 22 26.506 2.251 0.807 0.614 0.857 0.714 CB 1.489 22 residues pruned to eliminate duplicates Z: 22 29.928 2.252 0.859 0.643 0.905 0.714 CB 1.508 22 residues pruned to eliminate duplicates Z: 25 29.635 2.142 0.864 0.601 0.917 0.667 CB 1.502 25 residues pruned to eliminate duplicates Z: 28 22.841 2.096 0.757 0.519 0.852 0.667 CB 1.376 28 residues pruned to eliminate duplicates Z: 23 28.206 2.217 0.714 0.622 0.909 0.682 CB 1.552 23 residues pruned to eliminate duplicates Z: 24 30.961 2.211 0.851 0.584 0.870 0.652 CB 1.674 24 residues pruned to eliminate duplicates Z: 42 25.521 2.140 0.579 0.517 0.756 0.561 CB 1.534 42 residues pruned to eliminate duplicates Z: 24 25.982 2.235 0.712 0.570 0.870 0.609 CB 1.522 24 residues pruned to eliminate duplicates Z: 24 25.375 2.200 0.736 0.555 0.870 0.435 CB 1.510 24 residues pruned to eliminate duplicates Z: 41 36.198 2.208 0.784 0.560 0.875 0.600 CB 1.567 41 residues pruned to eliminate duplicates Z: 25 32.153 2.127 0.754 0.622 0.958 0.667 CA 1.636 25 residues pruned to eliminate duplicates Z: 34 23.859 2.074 0.640 0.480 0.848 0.606 CB 1.469 34 residues pruned to eliminate duplicates Z: 40 37.008 2.235 0.803 0.562 0.897 0.564 CB 1.543 40 residues pruned to eliminate duplicates Z: 40 31.807 2.198 0.677 0.540 0.872 0.538 CB 1.524 40 residues pruned to eliminate duplicates Z: 97 59.373 2.242 0.994 0.534 0.875 0.490 CB 1.499 97 residues pruned to eliminate duplicates Z: 29 26.364 2.106 0.690 0.603 0.893 0.714 CB 1.422 29 residues pruned to eliminate duplicates Z: 18 14.510 2.200 0.646 0.399 0.765 0.471 CB 1.413 18 residues pruned to eliminate duplicates Z: 20 19.392 2.054 0.742 0.480 0.895 0.368 CB 1.418 20 residues pruned to eliminate duplicates Z: 23 22.054 2.195 0.636 0.455 0.909 0.364 CB 1.508 23 residues pruned to eliminate duplicates Z: 18 27.216 2.257 0.892 0.542 0.941 0.471 CB 1.576 18 residues pruned to eliminate duplicates Z: 18 26.871 2.244 0.837 0.536 0.941 0.412 CB 1.621 18 residues pruned to eliminate duplicates Z: 19 22.628 2.240 0.725 0.528 0.833 0.444 CB 1.612 19 residues pruned to eliminate duplicates Z: 21 17.819 2.161 0.490 0.427 0.900 0.450 CB 1.483 21 residues pruned to eliminate duplicates Z: 39 33.142 2.157 0.672 0.633 0.868 0.605 CB 1.515 39 residues pruned to eliminate duplicates Z: 30 20.629 2.133 0.588 0.455 0.897 0.586 CB 1.321 30 residues pruned to eliminate duplicates Z: 32 18.838 2.045 0.539 0.410 0.839 0.516 CB 1.408 32 residues pruned to eliminate duplicates Z: 18 16.595 2.193 0.582 0.501 0.765 0.412 CB 1.515 18 residues pruned to eliminate duplicates Z: 18 22.116 2.074 0.751 0.536 0.941 0.529 CB 1.515 18 residues pruned to eliminate duplicates Z: 19 24.282 2.100 0.844 0.532 0.944 0.500 CB 1.517 19 residues pruned to eliminate duplicates Z: 41 36.534 2.171 0.804 0.610 0.900 0.625 CB 1.475 41 residues pruned to eliminate duplicates 747 residues left after pruning, divided into chains as follows: A: 16 B: 7 C: 157 D: 9 E: 209 F: 206 G: 143 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 37.80 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.769, Connect. = 0.735 for dens.mod. cycle 1 = 0.300, Contrast = 0.894, Connect. = 0.767 for dens.mod. cycle 2 = 0.300, Contrast = 1.064, Connect. = 0.792 for dens.mod. cycle 3 = 0.300, Contrast = 1.091, Connect. = 0.795 for dens.mod. cycle 4 = 0.300, Contrast = 1.113, Connect. = 0.796 for dens.mod. cycle 5 = 0.300, Contrast = 1.119, Connect. = 0.798 for dens.mod. cycle 6 = 0.300, Contrast = 1.125, Connect. = 0.799 for dens.mod. cycle 7 = 0.300, Contrast = 1.125, Connect. = 0.799 for dens.mod. cycle 8 = 0.300, Contrast = 1.125, Connect. = 0.800 for dens.mod. cycle 9 = 0.300, Contrast = 1.122, Connect. = 0.801 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 5254 peaks > 0.5 sigma used to seed fragment search Space for about 1914 unique residues taking solvent into account 1041 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 16 54.261 2.630 0.930 0.883 1.000 0.600 CA 1.995 B: 17 35.486 2.371 0.679 0.887 0.875 0.688 CA 1.836 17 residues pruned to eliminate duplicates C: 14 29.238 2.307 0.543 0.897 1.000 0.846 CA 1.630 13 residues pruned to eliminate duplicates D: 19 44.508 2.252 1.328 0.840 0.889 0.611 CB 1.681 19 residues pruned to eliminate duplicates E: 17 51.720 2.399 1.318 0.914 1.000 0.750 CB 1.645 F: 17 45.914 2.393 0.998 0.857 0.938 0.562 CB 1.887 18 residues pruned to eliminate duplicates G: 17 44.268 2.477 1.113 0.834 0.875 0.625 CA 1.812 17 residues pruned to eliminate duplicates H: 17 46.514 2.418 1.173 0.900 0.938 0.750 CB 1.687 17 residues pruned to eliminate duplicates I: 15 54.294 2.684 0.978 0.885 1.000 0.857 CA 1.975 15 residues pruned to eliminate duplicates J: 7 15.567 2.143 0.812 0.879 0.833 0.500 CA 1.424 7 residues pruned to eliminate duplicates K: 14 30.839 2.365 0.692 0.710 0.923 0.692 CA 1.914 L: 12 33.746 2.333 1.103 0.844 0.909 0.909 CB 1.697 M: 13 39.524 2.267 0.932 0.929 1.000 1.000 CA 1.823 N: 16 49.790 2.501 1.296 0.899 0.933 0.933 CA 1.715 16 residues pruned to eliminate duplicates O: 13 29.308 2.174 1.155 0.886 0.917 0.417 CB 1.422 12 residues pruned to eliminate duplicates P: 17 44.981 2.480 0.930 0.838 0.938 0.625 CA 1.872 17 residues pruned to eliminate duplicates Q: 17 49.841 2.529 1.126 0.845 0.938 0.812 CA 1.839 17 residues pruned to eliminate duplicates R: 19 44.695 2.260 1.119 0.859 1.000 0.611 CA 1.618 19 residues pruned to eliminate duplicates S: 10 47.941 2.657 1.244 0.923 1.000 0.889 CB 1.884 13 residues pruned to eliminate duplicates T: 10 11.972 2.424 0.483 0.548 0.667 0.333 CB 1.589 10 residues pruned to eliminate duplicates U: 16 49.260 2.432 1.471 0.876 0.933 0.733 CB 1.648 16 residues pruned to eliminate duplicates V: 14 30.246 2.074 1.108 0.916 1.000 0.846 CB 1.355 W: 11 15.047 2.266 1.175 0.503 0.600 0.200 CB 1.604 11 residues pruned to eliminate duplicates X: 18 22.615 2.065 0.638 0.847 0.882 0.647 CB 1.364 Y: 12 47.953 2.378 1.406 0.872 1.000 0.727 CA 1.842 12 residues pruned to eliminate duplicates Z: 16 57.420 2.629 1.235 0.885 0.933 0.800 CA 1.952 16 residues pruned to eliminate duplicates Z: 18 36.927 2.249 0.827 0.884 0.882 0.765 CA 1.784 Z: 13 48.184 2.311 1.356 0.905 1.000 0.833 CB 1.818 13 residues pruned to eliminate duplicates Z: 16 28.189 2.285 0.710 0.641 0.933 0.467 CA 1.749 14 residues pruned to eliminate duplicates Z: 15 37.416 2.332 0.886 0.886 1.000 0.857 CA 1.640 Z: 17 44.799 2.423 1.261 0.897 0.938 0.688 CB 1.561 17 residues pruned to eliminate duplicates Z: 12 36.877 2.479 0.758 0.935 1.000 1.000 CA 1.777 11 residues pruned to eliminate duplicates Z: 78 48.271 2.209 0.869 0.449 0.870 0.584 CB 1.614 13 residues pruned to eliminate duplicates Z: 36 24.729 2.140 0.795 0.400 0.771 0.429 CB 1.567 36 residues pruned to eliminate duplicates Z: 24 23.054 2.034 0.903 0.431 0.870 0.391 CB 1.533 Z: 11 55.516 2.599 1.365 0.917 1.000 0.900 CA 2.016 11 residues pruned to eliminate duplicates Z: 11 34.180 2.250 0.921 0.868 1.000 0.800 CA 1.828 Z: 19 36.996 2.202 0.909 0.856 0.944 0.722 CA 1.620 18 residues pruned to eliminate duplicates Z: 6 16.456 2.036 0.675 0.795 1.000 0.800 O 1.667 Z: 16 29.298 2.296 0.647 0.810 0.867 0.800 CB 1.762 18 residues pruned to eliminate duplicates Z: 17 43.146 2.345 0.942 0.849 0.938 0.750 CA 1.873 19 residues pruned to eliminate duplicates Z: 16 31.325 2.198 0.849 0.839 0.933 0.667 CA 1.593 16 residues pruned to eliminate duplicates Z: 16 37.909 2.336 0.737 0.889 1.000 0.933 CA 1.737 16 residues pruned to eliminate duplicates Z: 14 32.611 2.300 0.713 0.933 1.000 0.923 CA 1.602 14 residues pruned to eliminate duplicates Z: 7 10.820 2.228 1.111 0.605 0.667 0.500 CA 1.276 Z: 14 32.871 2.236 1.184 0.845 1.000 0.769 CB 1.388 14 residues pruned to eliminate duplicates Z: 11 41.408 2.445 1.191 0.925 1.000 1.000 CA 1.715 12 residues pruned to eliminate duplicates Z: 32 31.780 2.172 0.844 0.539 0.935 0.548 CB 1.467 32 residues pruned to eliminate duplicates Z: 12 47.298 2.412 1.321 0.935 1.000 0.909 CB 1.776 12 residues pruned to eliminate duplicates Z: 28 38.609 2.378 0.978 0.588 0.963 0.519 CB 1.508 11 residues pruned to eliminate duplicates Z: 13 23.264 2.224 0.426 0.885 1.000 0.917 CA 1.530 13 residues pruned to eliminate duplicates Z: 16 40.391 2.326 1.012 0.864 1.000 0.600 CA 1.634 Z: 17 48.982 2.399 1.154 0.881 1.000 0.812 CA 1.716 17 residues pruned to eliminate duplicates Z: 12 23.282 2.110 0.780 0.874 1.000 0.727 CA 1.361 12 residues pruned to eliminate duplicates Z: 24 32.023 2.351 1.041 0.524 0.739 0.609 CA 1.839 Z: 16 58.609 2.578 1.231 0.887 1.000 0.667 CA 1.897 16 residues pruned to eliminate duplicates Z: 14 24.907 2.109 0.545 0.870 1.000 0.846 CA 1.547 14 residues pruned to eliminate duplicates Z: 15 33.826 2.139 0.829 0.917 1.000 0.929 CA 1.630 15 residues pruned to eliminate duplicates Z: 66 53.364 2.342 1.036 0.481 0.877 0.631 CB 1.613 49 residues pruned to eliminate duplicates Z: 43 51.256 2.428 1.058 0.530 0.929 0.548 CB 1.654 22 residues pruned to eliminate duplicates Z: 16 27.245 2.259 0.886 0.551 0.933 0.400 CA 1.683 16 residues pruned to eliminate duplicates Z: 13 34.028 2.303 1.011 0.902 0.917 0.833 CA 1.651 13 residues pruned to eliminate duplicates Z: 14 29.090 1.987 1.050 0.885 1.000 0.769 CA 1.430 14 residues pruned to eliminate duplicates Z: 12 48.782 2.520 1.299 0.926 1.000 0.545 CB 1.781 12 residues pruned to eliminate duplicates Z: 12 18.372 2.145 0.544 0.803 0.909 0.818 CA 1.411 12 residues pruned to eliminate duplicates Z: 20 15.667 2.154 0.764 0.417 0.895 0.526 CB 1.152 Z: 6 11.083 2.124 0.578 0.832 1.000 0.600 CA 1.111 Z: 11 33.248 2.388 0.805 0.934 0.900 0.900 CA 1.891 11 residues pruned to eliminate duplicates Z: 11 55.406 2.624 1.311 0.936 1.000 0.700 CB 2.013 25 residues pruned to eliminate duplicates Z: 17 38.247 2.373 1.089 0.844 0.938 0.500 CB 1.531 17 residues pruned to eliminate duplicates Z: 12 38.889 2.442 1.058 0.919 1.000 0.727 CB 1.644 Z: 12 12.898 2.219 0.500 0.387 0.909 0.636 CB 1.449 Z: 42 40.269 2.314 0.965 0.456 0.878 0.463 CB 1.647 26 residues pruned to eliminate duplicates Z: 39 32.457 2.260 0.929 0.435 0.895 0.579 CB 1.443 20 residues pruned to eliminate duplicates Z: 39 36.081 2.296 0.973 0.444 0.868 0.553 CB 1.577 39 residues pruned to eliminate duplicates Z: 6 9.906 2.205 0.110 0.696 1.000 0.200 CB 1.513 6 residues pruned to eliminate duplicates Z: 45 44.187 2.418 0.873 0.478 0.841 0.568 CB 1.789 22 residues pruned to eliminate duplicates Z: 44 48.873 2.463 1.048 0.550 0.860 0.488 CB 1.634 45 residues pruned to eliminate duplicates Z: 17 44.825 2.368 1.266 0.907 0.938 0.688 CB 1.584 17 residues pruned to eliminate duplicates Z: 11 38.324 2.530 0.955 0.913 1.000 0.600 CB 1.734 11 residues pruned to eliminate duplicates Z: 44 29.935 2.304 0.775 0.438 0.837 0.581 CB 1.422 43 residues pruned to eliminate duplicates Z: 18 18.830 2.062 0.902 0.406 0.941 0.471 CB 1.366 Z: 13 9.159 1.989 0.286 0.443 0.917 0.583 CB 1.196 13 residues pruned to eliminate duplicates Z: 16 34.941 2.354 0.648 0.835 1.000 0.667 CA 1.742 16 residues pruned to eliminate duplicates Z: 9 12.715 2.154 1.035 0.621 0.625 0.250 CA 1.463 Z: 62 44.010 2.364 0.861 0.450 0.902 0.574 CB 1.495 60 residues pruned to eliminate duplicates Z: 16 36.370 2.346 0.678 0.871 1.000 0.800 CA 1.740 16 residues pruned to eliminate duplicates Z: 18 41.451 2.225 1.210 0.851 0.941 0.765 CB 1.608 22 residues pruned to eliminate duplicates Z: 77 61.653 2.357 1.049 0.500 0.868 0.539 CB 1.687 68 residues pruned to eliminate duplicates Z: 15 31.180 2.144 1.013 0.861 0.929 0.714 CA 1.528 15 residues pruned to eliminate duplicates Z: 17 36.599 2.241 1.000 0.879 0.938 0.750 CA 1.579 17 residues pruned to eliminate duplicates Z: 14 24.133 2.258 0.892 0.887 0.846 0.615 CB 1.335 12 residues pruned to eliminate duplicates Z: 37 42.093 2.299 1.105 0.487 0.889 0.583 CB 1.653 37 residues pruned to eliminate duplicates Z: 18 43.661 2.213 1.090 0.855 1.000 0.765 CA 1.690 18 residues pruned to eliminate duplicates Z: 29 21.055 2.004 0.844 0.387 0.893 0.429 CB 1.359 Z: 17 38.425 2.342 0.703 0.895 1.000 0.938 CA 1.727 17 residues pruned to eliminate duplicates Z: 14 39.799 2.254 1.181 0.891 0.923 0.769 CB 1.748 14 residues pruned to eliminate duplicates Z: 11 23.571 1.954 1.302 0.872 1.000 0.900 CB 1.208 Z: 20 18.914 2.166 0.588 0.458 0.947 0.632 CB 1.389 20 residues pruned to eliminate duplicates Z: 16 24.628 2.226 1.010 0.514 0.867 0.400 CA 1.617 16 residues pruned to eliminate duplicates Z: 16 37.841 2.311 0.921 0.868 0.933 0.933 CA 1.723 16 residues pruned to eliminate duplicates Z: 12 49.652 2.387 1.477 0.867 1.000 0.545 CA 1.852 12 residues pruned to eliminate duplicates Z: 10 15.892 2.090 0.639 0.497 0.889 0.778 CA 1.744 7 residues pruned to eliminate duplicates Z: 14 38.657 2.336 1.162 0.906 0.923 0.769 CA 1.636 15 residues pruned to eliminate duplicates Z: 13 48.418 2.462 1.457 0.859 1.000 0.417 CB 1.701 13 residues pruned to eliminate duplicates Z: 11 30.653 2.480 1.318 0.662 0.800 0.100 CB 1.814 5 residues pruned to eliminate duplicates Z: 18 25.678 2.332 0.756 0.557 0.882 0.588 CB 1.630 Z: 25 30.700 2.262 1.000 0.436 0.792 0.583 CB 1.870 21 residues pruned to eliminate duplicates Z: 16 40.692 2.312 0.823 0.867 1.000 0.667 CA 1.824 16 residues pruned to eliminate duplicates Z: 10 16.113 1.882 1.121 0.812 0.778 0.444 CB 1.318 Z: 16 40.555 2.315 0.920 0.873 1.000 0.800 CB 1.716 16 residues pruned to eliminate duplicates Z: 11 21.576 2.090 0.765 0.816 1.000 0.700 CB 1.405 Z: 12 24.841 1.996 0.893 0.849 1.000 0.727 CB 1.470 11 residues pruned to eliminate duplicates Z: 17 37.787 2.239 0.976 0.888 1.000 0.688 CA 1.539 17 residues pruned to eliminate duplicates Z: 29 14.403 2.089 0.681 0.254 0.714 0.429 CB 1.439 9 residues pruned to eliminate duplicates Z: 26 23.845 2.268 0.804 0.341 0.840 0.480 CB 1.649 26 residues pruned to eliminate duplicates Z: 13 26.895 2.367 0.626 0.848 1.000 0.833 CA 1.497 13 residues pruned to eliminate duplicates Z: 64 54.905 2.382 0.953 0.474 0.905 0.556 CB 1.687 64 residues pruned to eliminate duplicates Z: 12 39.157 2.408 1.136 0.878 0.909 0.818 CB 1.832 12 residues pruned to eliminate duplicates Z: 23 28.285 2.383 0.794 0.436 0.818 0.500 CA 1.841 23 residues pruned to eliminate duplicates Z: 23 30.766 2.246 1.080 0.462 0.909 0.636 CB 1.605 23 residues pruned to eliminate duplicates Z: 74 55.110 2.353 1.043 0.454 0.877 0.507 CB 1.604 74 residues pruned to eliminate duplicates Z: 8 22.155 2.184 0.950 0.807 1.000 0.714 CA 1.505 9 residues pruned to eliminate duplicates Z: 25 30.752 2.281 0.642 0.537 0.958 0.583 CB 1.686 22 residues pruned to eliminate duplicates Z: 14 24.947 2.009 0.715 0.870 1.000 0.923 CA 1.466 14 residues pruned to eliminate duplicates Z: 44 37.667 2.353 0.944 0.432 0.884 0.535 CB 1.524 42 residues pruned to eliminate duplicates Z: 40 28.984 2.125 0.831 0.458 0.897 0.487 CB 1.388 Z: 42 22.761 2.082 0.763 0.362 0.829 0.415 CB 1.355 15 residues pruned to eliminate duplicates Z: 14 33.647 2.212 0.998 0.815 1.000 0.769 CA 1.605 14 residues pruned to eliminate duplicates Z: 20 22.227 2.113 0.936 0.466 0.895 0.421 CB 1.443 19 residues pruned to eliminate duplicates Z: 18 25.555 2.220 1.050 0.495 0.824 0.529 CB 1.662 18 residues pruned to eliminate duplicates Z: 19 39.647 2.094 1.120 0.864 0.944 0.556 CB 1.634 19 residues pruned to eliminate duplicates Z: 11 26.350 2.329 0.600 0.897 1.000 0.900 CA 1.601 11 residues pruned to eliminate duplicates Z: 10 18.371 2.060 1.024 0.706 0.778 0.333 CA 1.566 10 residues pruned to eliminate duplicates Z: 8 22.360 2.293 0.722 0.836 0.857 0.714 CA 1.868 8 residues pruned to eliminate duplicates Z: 13 23.860 1.946 0.773 0.868 0.917 0.667 CB 1.591 13 residues pruned to eliminate duplicates Z: 12 29.446 2.356 1.318 0.750 0.909 0.455 CA 1.431 12 residues pruned to eliminate duplicates Z: 16 29.061 2.117 1.099 0.759 0.933 0.467 CB 1.436 16 residues pruned to eliminate duplicates Z: 16 27.945 2.154 0.837 0.908 1.000 0.667 CB 1.295 16 residues pruned to eliminate duplicates Z: 15 33.513 2.280 0.976 0.886 0.929 0.786 CA 1.544 14 residues pruned to eliminate duplicates Z: 28 20.203 2.224 0.899 0.327 0.778 0.444 CB 1.431 28 residues pruned to eliminate duplicates Z: 40 26.931 2.129 0.778 0.441 0.846 0.436 CB 1.430 73 residues pruned to eliminate duplicates Z: 25 45.631 2.362 1.101 0.674 0.917 0.750 CB 1.743 18 residues pruned to eliminate duplicates Z: 8 18.284 2.352 1.133 0.699 0.714 0.571 CA 1.608 8 residues pruned to eliminate duplicates Z: 13 28.353 2.328 0.790 0.894 0.917 0.417 CB 1.538 14 residues pruned to eliminate duplicates Z: 54 38.362 2.178 0.747 0.507 0.906 0.604 CB 1.519 14 residues pruned to eliminate duplicates Z: 12 29.601 2.282 0.856 0.835 0.909 0.818 CA 1.736 12 residues pruned to eliminate duplicates Z: 17 53.355 2.502 1.177 0.873 0.938 0.750 CA 1.903 16 residues pruned to eliminate duplicates Z: 13 17.362 1.924 1.064 0.663 0.917 0.583 CA 1.184 13 residues pruned to eliminate duplicates Z: 16 48.271 2.544 1.071 0.857 0.933 0.600 CA 1.868 16 residues pruned to eliminate duplicates Z: 16 29.519 2.058 1.067 0.935 0.867 0.533 CA 1.442 16 residues pruned to eliminate duplicates Z: 54 47.024 2.343 0.934 0.519 0.849 0.472 CB 1.648 40 residues pruned to eliminate duplicates Z: 14 26.530 2.248 0.778 0.871 0.923 0.769 CB 1.454 14 residues pruned to eliminate duplicates Z: 11 15.285 2.164 0.820 0.525 0.900 0.700 CA 1.330 11 residues pruned to eliminate duplicates Z: 17 27.265 2.299 0.347 0.871 0.938 0.750 CA 1.713 17 residues pruned to eliminate duplicates Z: 10 10.503 2.080 0.284 0.334 1.000 0.667 CB 1.572 Z: 87 86.119 2.386 1.204 0.562 0.930 0.523 CB 1.788 78 residues pruned to eliminate duplicates Z: 31 30.038 2.239 0.750 0.476 0.900 0.633 CB 1.593 31 residues pruned to eliminate duplicates Z: 37 34.172 2.237 0.815 0.459 0.889 0.583 CB 1.645 37 residues pruned to eliminate duplicates Z: 104 50.619 2.197 0.776 0.492 0.893 0.583 CB 1.442 79 residues pruned to eliminate duplicates Z: 14 33.106 2.165 1.232 0.884 0.923 0.538 CB 1.487 14 residues pruned to eliminate duplicates Z: 33 26.591 2.269 0.670 0.441 0.938 0.500 CB 1.406 33 residues pruned to eliminate duplicates Z: 14 36.202 2.327 0.872 0.923 1.000 0.769 CA 1.620 14 residues pruned to eliminate duplicates Z: 15 32.058 2.156 0.825 0.926 1.000 0.643 CB 1.527 15 residues pruned to eliminate duplicates Z: 65 45.635 2.296 0.803 0.503 0.844 0.594 CB 1.629 65 residues pruned to eliminate duplicates Z: 92 80.436 2.359 1.188 0.537 0.901 0.560 CB 1.747 92 residues pruned to eliminate duplicates Z: 20 42.223 2.160 1.095 0.873 1.000 0.632 CA 1.559 20 residues pruned to eliminate duplicates Z: 11 28.655 2.100 0.929 0.842 1.000 0.600 CA 1.667 11 residues pruned to eliminate duplicates Z: 15 29.607 2.152 0.827 0.884 0.929 0.714 CB 1.566 15 residues pruned to eliminate duplicates Z: 16 17.425 2.233 0.659 0.341 0.933 0.533 CB 1.548 Z: 101 47.003 2.171 0.731 0.468 0.880 0.560 CB 1.468 101 residues pruned to eliminate duplicates Z: 15 25.350 2.294 0.628 0.839 0.929 0.714 CA 1.460 15 residues pruned to eliminate duplicates Z: 14 32.854 2.271 1.007 0.932 1.000 0.692 CB 1.396 14 residues pruned to eliminate duplicates Z: 13 21.476 2.074 0.746 0.783 0.917 0.667 CB 1.455 13 residues pruned to eliminate duplicates Z: 28 22.608 2.211 0.756 0.455 0.815 0.630 CB 1.439 29 residues pruned to eliminate duplicates Z: 19 36.545 2.135 1.240 0.845 0.944 0.667 CB 1.418 19 residues pruned to eliminate duplicates Z: 14 10.572 1.961 0.467 0.312 0.846 0.538 CB 1.483 14 residues pruned to eliminate duplicates Z: 33 23.291 2.074 0.722 0.421 0.906 0.500 CB 1.381 33 residues pruned to eliminate duplicates Z: 13 27.138 2.191 0.796 0.862 0.917 0.750 CA 1.594 13 residues pruned to eliminate duplicates Z: 37 39.936 2.407 0.996 0.595 0.833 0.583 CB 1.518 37 residues pruned to eliminate duplicates Z: 16 38.885 2.279 1.222 0.884 0.867 0.800 CA 1.653 16 residues pruned to eliminate duplicates Z: 126 76.655 2.327 0.893 0.522 0.912 0.536 CB 1.670 103 residues pruned to eliminate duplicates Z: 6 9.212 1.793 0.536 0.832 1.000 1.000 CB 1.123 6 residues pruned to eliminate duplicates Z: 39 33.744 2.269 0.928 0.488 0.947 0.316 CB 1.336 39 residues pruned to eliminate duplicates Z: 13 32.328 2.308 0.851 0.871 1.000 0.750 CA 1.594 13 residues pruned to eliminate duplicates Z: 15 42.432 2.402 0.867 0.865 1.000 0.786 CA 1.852 15 residues pruned to eliminate duplicates Z: 6 8.718 2.144 0.134 0.680 1.000 0.400 CB 1.358 6 residues pruned to eliminate duplicates Z: 12 39.358 2.453 1.072 0.925 1.000 0.818 CA 1.638 12 residues pruned to eliminate duplicates Z: 97 68.896 2.319 0.956 0.492 0.906 0.594 CB 1.723 91 residues pruned to eliminate duplicates Z: 11 14.792 2.216 0.643 0.523 0.900 0.700 CB 1.395 19 residues pruned to eliminate duplicates Z: 15 27.911 2.230 0.749 0.894 0.929 0.714 CB 1.478 15 residues pruned to eliminate duplicates Z: 14 41.919 2.355 1.030 0.865 1.000 0.692 CB 1.782 14 residues pruned to eliminate duplicates Z: 10 21.519 2.181 1.121 0.670 0.778 0.556 N 1.704 10 residues pruned to eliminate duplicates Z: 12 34.324 2.431 1.138 0.917 0.909 0.818 CA 1.545 12 residues pruned to eliminate duplicates Z: 8 24.556 2.149 0.890 0.822 1.000 0.571 CA 1.729 8 residues pruned to eliminate duplicates Z: 15 38.821 2.397 0.901 0.877 0.929 0.857 CA 1.781 15 residues pruned to eliminate duplicates Z: 11 28.143 2.128 0.861 0.839 1.000 0.700 CA 1.679 11 residues pruned to eliminate duplicates Z: 17 23.895 2.398 0.553 0.395 1.000 0.500 CB 1.792 17 residues pruned to eliminate duplicates Z: 12 18.739 2.213 0.895 0.505 0.818 0.727 CB 1.638 12 residues pruned to eliminate duplicates Z: 15 25.633 2.350 0.577 0.525 1.000 0.643 CB 1.804 15 residues pruned to eliminate duplicates Z: 64 55.238 2.299 1.070 0.476 0.873 0.508 CB 1.716 59 residues pruned to eliminate duplicates Z: 14 18.587 2.110 0.900 0.451 0.846 0.308 CB 1.599 14 residues pruned to eliminate duplicates Z: 21 25.831 2.246 0.851 0.417 0.850 0.450 CB 1.782 21 residues pruned to eliminate duplicates Z: 54 59.565 2.336 1.094 0.540 0.925 0.434 CB 1.739 54 residues pruned to eliminate duplicates Z: 102 85.719 2.411 1.044 0.544 0.941 0.604 CB 1.763 102 residues pruned to eliminate duplicates Z: 12 24.456 2.002 0.780 0.865 1.000 0.818 CA 1.516 12 residues pruned to eliminate duplicates Z: 86 65.097 2.388 0.897 0.525 0.894 0.529 CB 1.701 86 residues pruned to eliminate duplicates Z: 25 19.762 2.169 0.773 0.322 0.917 0.542 CB 1.391 10 residues pruned to eliminate duplicates Z: 8 19.800 2.296 0.600 0.843 0.857 0.571 CA 1.770 8 residues pruned to eliminate duplicates Z: 86 53.832 2.342 0.865 0.480 0.824 0.553 CB 1.657 86 residues pruned to eliminate duplicates Z: 30 20.316 2.139 0.761 0.356 0.793 0.483 CB 1.476 30 residues pruned to eliminate duplicates Z: 19 25.204 2.221 0.752 0.601 0.889 0.444 CB 1.560 18 residues pruned to eliminate duplicates Z: 72 58.694 2.401 0.953 0.483 0.859 0.521 CB 1.760 72 residues pruned to eliminate duplicates Z: 6 6.132 1.805 0.371 0.603 0.800 0.600 CB 1.256 6 residues pruned to eliminate duplicates Z: 17 19.407 2.147 0.876 0.506 0.875 0.562 CB 1.368 19 residues pruned to eliminate duplicates Z: 12 30.487 2.315 1.125 0.862 0.909 0.545 CB 1.510 12 residues pruned to eliminate duplicates Z: 44 45.831 2.414 0.922 0.551 0.930 0.605 CB 1.540 44 residues pruned to eliminate duplicates Z: 12 18.483 2.043 0.455 0.878 0.909 0.909 CB 1.497 12 residues pruned to eliminate duplicates Z: 16 31.824 2.101 1.012 0.871 0.933 0.667 CB 1.519 17 residues pruned to eliminate duplicates Z: 16 34.598 2.116 1.126 0.909 1.000 0.667 CA 1.409 16 residues pruned to eliminate duplicates Z: 15 36.613 2.304 1.094 0.907 0.929 0.857 CA 1.552 15 residues pruned to eliminate duplicates Z: 8 7.818 1.927 0.612 0.481 0.714 0.571 O 1.357 Z: 14 10.910 2.056 0.585 0.310 0.769 0.462 CB 1.491 14 residues pruned to eliminate duplicates Z: 46 51.065 2.403 1.074 0.489 0.867 0.444 CB 1.782 46 residues pruned to eliminate duplicates Z: 17 40.030 2.394 0.989 0.921 0.938 0.750 CB 1.578 17 residues pruned to eliminate duplicates Z: 28 25.707 2.247 0.687 0.445 0.852 0.444 CB 1.622 28 residues pruned to eliminate duplicates Z: 59 61.675 2.396 0.970 0.538 0.931 0.552 CB 1.775 59 residues pruned to eliminate duplicates 6 1.681 1.918 0.827 0.642 0.800 0.800 CB 0.235 ? Z: 7 12.002 2.114 0.688 0.843 0.833 0.667 CA 1.227 6 residues pruned to eliminate duplicates Z: 15 29.573 2.272 0.751 0.866 1.000 0.714 CA 1.454 15 residues pruned to eliminate duplicates Z: 12 27.472 2.152 0.989 0.862 0.909 0.636 CA 1.563 12 residues pruned to eliminate duplicates Z: 49 40.417 2.314 0.906 0.457 0.875 0.521 CB 1.580 48 residues pruned to eliminate duplicates Z: 33 29.515 2.273 0.785 0.427 0.844 0.531 CB 1.644 33 residues pruned to eliminate duplicates Z: 11 19.196 2.069 0.829 0.835 1.000 0.600 CA 1.202 11 residues pruned to eliminate duplicates Z: 16 43.349 2.382 1.051 0.879 0.933 0.800 CA 1.780 16 residues pruned to eliminate duplicates Z: 6 13.625 2.018 0.499 0.855 1.000 1.000 N 1.487 6 residues pruned to eliminate duplicates Z: 19 11.729 1.872 0.692 0.430 0.833 0.333 CB 1.126 Z: 6 10.674 1.943 0.828 0.702 0.800 0.400 CA 1.399 6 residues pruned to eliminate duplicates Z: 15 22.274 2.130 0.429 0.870 0.929 0.643 CA 1.538 15 residues pruned to eliminate duplicates Z: 7 6.469 1.557 1.238 0.451 0.667 0.667 CB 1.195 Z: 17 43.367 2.267 1.172 0.882 1.000 0.562 CA 1.593 17 residues pruned to eliminate duplicates Z: 11 19.294 1.861 0.831 0.861 1.000 0.800 CB 1.315 11 residues pruned to eliminate duplicates Z: 6 11.598 1.943 0.694 0.852 1.000 1.000 CA 1.166 6 residues pruned to eliminate duplicates Z: 60 46.997 2.360 0.845 0.492 0.881 0.424 CB 1.607 60 residues pruned to eliminate duplicates Z: 22 27.003 2.293 0.914 0.493 0.857 0.524 CA 1.578 22 residues pruned to eliminate duplicates Z: 13 22.282 1.879 0.756 0.886 1.000 0.750 CA 1.407 13 residues pruned to eliminate duplicates Z: 11 17.465 2.273 0.824 0.682 0.800 0.400 CA 1.408 11 residues pruned to eliminate duplicates Z: 15 41.603 2.399 0.971 0.884 0.929 0.714 CB 1.829 15 residues pruned to eliminate duplicates Z: 28 29.189 2.202 0.961 0.498 0.852 0.444 CB 1.530 28 residues pruned to eliminate duplicates Z: 10 10.709 2.068 0.540 0.419 0.889 0.556 CB 1.372 10 residues pruned to eliminate duplicates Z: 23 28.843 2.228 0.990 0.469 0.864 0.636 CB 1.657 23 residues pruned to eliminate duplicates Z: 17 48.011 2.352 1.031 0.883 1.000 0.625 CB 1.817 17 residues pruned to eliminate duplicates Z: 17 34.369 2.184 0.870 0.878 1.000 0.688 CB 1.526 17 residues pruned to eliminate duplicates Z: 9 12.970 2.227 0.692 0.424 0.875 0.875 CB 1.504 9 residues pruned to eliminate duplicates Z: 6 9.037 2.112 0.511 0.763 0.800 0.600 CA 1.253 6 residues pruned to eliminate duplicates Z: 16 46.162 2.419 1.074 0.860 1.000 0.733 CA 1.747 16 residues pruned to eliminate duplicates Z: 25 34.601 2.306 0.970 0.549 0.917 0.500 CB 1.617 25 residues pruned to eliminate duplicates Z: 16 36.992 2.321 0.745 0.862 1.000 0.800 CB 1.732 16 residues pruned to eliminate duplicates Z: 69 62.724 2.434 1.013 0.537 0.868 0.485 CB 1.725 69 residues pruned to eliminate duplicates Z: 14 32.618 2.330 0.687 0.916 1.000 0.615 CA 1.626 14 residues pruned to eliminate duplicates Z: 16 33.628 2.277 0.925 0.900 0.933 0.867 CB 1.516 16 residues pruned to eliminate duplicates Z: 30 36.369 2.371 0.842 0.563 0.931 0.621 CB 1.562 30 residues pruned to eliminate duplicates Z: 17 39.293 2.299 0.886 0.823 0.938 0.812 CA 1.827 17 residues pruned to eliminate duplicates Z: 60 53.744 2.223 0.984 0.543 0.932 0.492 CB 1.633 60 residues pruned to eliminate duplicates Z: 6 3.398 1.556 0.406 0.335 0.800 0.400 CA 1.040 Z: 46 51.137 2.419 1.135 0.527 0.800 0.467 CB 1.798 46 residues pruned to eliminate duplicates Z: 25 21.373 2.063 0.724 0.493 0.833 0.500 CB 1.483 7 residues pruned to eliminate duplicates Z: 10 21.036 2.254 0.852 0.709 0.889 0.556 CB 1.563 10 residues pruned to eliminate duplicates Z: 18 28.273 2.189 0.565 0.856 0.882 0.706 CA 1.672 18 residues pruned to eliminate duplicates Z: 90 64.295 2.359 1.119 0.481 0.876 0.562 CB 1.586 90 residues pruned to eliminate duplicates Z: 17 44.140 2.282 1.551 0.895 0.938 0.625 CB 1.449 17 residues pruned to eliminate duplicates Z: 18 12.776 2.059 0.356 0.340 0.941 0.471 CB 1.404 17 residues pruned to eliminate duplicates Z: 13 6.817 2.015 0.413 0.334 0.750 0.417 CB 1.106 13 residues pruned to eliminate duplicates Z: 49 47.722 2.346 1.055 0.552 0.854 0.562 CB 1.590 49 residues pruned to eliminate duplicates Z: 12 39.567 2.278 1.347 0.908 1.000 0.909 CB 1.585 12 residues pruned to eliminate duplicates Z: 25 32.214 2.164 1.222 0.415 0.833 0.375 CA 1.792 25 residues pruned to eliminate duplicates Z: 31 20.654 2.096 0.776 0.415 0.867 0.533 CB 1.278 36 residues pruned to eliminate duplicates Z: 17 35.025 2.268 0.775 0.805 0.938 0.812 CB 1.778 17 residues pruned to eliminate duplicates Z: 53 34.795 2.160 0.816 0.435 0.865 0.519 CB 1.521 53 residues pruned to eliminate duplicates Z: 15 30.742 2.166 0.932 0.880 0.929 0.786 CB 1.532 15 residues pruned to eliminate duplicates Z: 24 36.696 2.206 1.140 0.625 0.957 0.696 CB 1.507 24 residues pruned to eliminate duplicates Z: 7 13.435 2.105 0.670 0.642 1.000 0.333 CB 1.365 Z: 13 38.889 2.286 1.225 0.912 1.000 1.000 CB 1.563 13 residues pruned to eliminate duplicates Z: 13 37.712 2.307 0.866 0.905 1.000 0.833 CA 1.799 13 residues pruned to eliminate duplicates Z: 13 27.211 1.989 1.179 0.863 1.000 0.750 CA 1.329 13 residues pruned to eliminate duplicates Z: 8 8.888 1.841 0.798 0.421 0.857 0.857 N 1.286 8 residues pruned to eliminate duplicates Z: 40 36.290 2.179 0.970 0.535 0.872 0.615 CB 1.501 40 residues pruned to eliminate duplicates Z: 13 25.481 1.916 1.166 0.886 1.000 0.667 CB 1.279 Z: 14 42.437 2.251 1.168 0.850 1.000 0.538 CB 1.787 14 residues pruned to eliminate duplicates Z: 8 5.755 1.723 1.000 0.425 0.571 0.571 CB 1.195 Z: 55 54.524 2.366 1.100 0.533 0.852 0.556 CB 1.697 55 residues pruned to eliminate duplicates Z: 22 27.621 2.187 0.890 0.619 0.905 0.667 CB 1.440 22 residues pruned to eliminate duplicates Z: 11 26.970 2.119 0.978 0.883 1.000 0.800 CB 1.471 11 residues pruned to eliminate duplicates Z: 17 7.597 1.962 0.532 0.345 0.812 0.688 CB 0.920 17 residues pruned to eliminate duplicates Z: 9 9.684 1.994 0.334 0.549 0.875 0.375 CB 1.401 8 residues pruned to eliminate duplicates Z: 8 23.517 2.122 1.089 0.901 0.857 0.714 CB 1.670 9 residues pruned to eliminate duplicates Z: 13 14.734 1.696 0.698 0.773 1.000 0.667 CA 1.160 13 residues pruned to eliminate duplicates Z: 38 30.538 2.271 0.881 0.420 0.838 0.514 CB 1.525 38 residues pruned to eliminate duplicates Z: 9 7.119 1.818 0.995 0.234 0.875 0.375 CB 1.081 Z: 12 20.390 1.939 0.772 0.881 1.000 0.909 CB 1.296 12 residues pruned to eliminate duplicates Z: 10 26.254 2.022 1.114 0.898 1.000 0.778 CB 1.465 10 residues pruned to eliminate duplicates Z: 52 41.172 2.200 0.783 0.534 0.980 0.549 CB 1.450 49 residues pruned to eliminate duplicates Z: 6 12.855 2.342 0.487 0.834 0.800 0.400 CA 1.547 6 residues pruned to eliminate duplicates Z: 24 26.622 2.227 0.963 0.455 0.870 0.565 CB 1.529 24 residues pruned to eliminate duplicates Z: 15 24.307 2.198 1.008 0.591 0.857 0.571 CB 1.573 15 residues pruned to eliminate duplicates Z: 57 21.959 2.026 0.490 0.381 0.893 0.411 CB 1.235 70 residues pruned to eliminate duplicates Z: 9 7.570 1.999 -0.004 0.575 0.875 0.500 C 1.429 Z: 24 35.122 2.219 1.010 0.641 0.913 0.696 CB 1.576 24 residues pruned to eliminate duplicates Z: 13 26.485 2.202 0.633 0.854 1.000 0.917 CA 1.570 13 residues pruned to eliminate duplicates Z: 8 5.832 1.903 0.630 0.487 0.714 0.714 CB 1.008 Z: 13 32.673 2.227 0.736 0.926 1.000 0.833 CA 1.711 13 residues pruned to eliminate duplicates Z: 18 43.073 2.212 1.237 0.878 1.000 0.529 CA 1.532 18 residues pruned to eliminate duplicates Z: 14 21.167 2.140 0.966 0.460 0.846 0.462 N 1.718 14 residues pruned to eliminate duplicates Z: 7 8.888 1.753 1.127 0.575 0.667 0.667 CB 1.358 7 residues pruned to eliminate duplicates Z: 61 42.903 2.332 0.868 0.384 0.867 0.450 CB 1.659 68 residues pruned to eliminate duplicates Z: 61 61.805 2.372 0.982 0.572 0.917 0.500 CB 1.727 61 residues pruned to eliminate duplicates Z: 12 25.902 1.985 0.902 0.898 1.000 1.000 CA 1.480 12 residues pruned to eliminate duplicates Z: 33 24.033 2.129 0.714 0.451 0.812 0.531 CB 1.507 33 residues pruned to eliminate duplicates Z: 38 35.388 2.267 0.999 0.466 0.892 0.595 CB 1.489 89 residues pruned to eliminate duplicates Z: 11 37.082 2.485 1.190 0.919 0.900 0.800 CA 1.687 11 residues pruned to eliminate duplicates Z: 48 34.460 2.109 0.777 0.527 0.894 0.426 CB 1.462 48 residues pruned to eliminate duplicates Z: 8 14.961 2.218 0.495 0.853 0.714 0.429 CA 1.765 8 residues pruned to eliminate duplicates Z: 61 37.487 2.151 0.731 0.510 0.883 0.517 CB 1.458 Z: 58 48.181 2.322 0.916 0.502 0.877 0.526 CB 1.633 58 residues pruned to eliminate duplicates Z: 12 13.467 2.115 0.548 0.471 1.000 0.727 CB 1.277 12 residues pruned to eliminate duplicates Z: 14 26.049 2.124 0.894 0.890 0.923 0.538 CB 1.399 14 residues pruned to eliminate duplicates Z: 13 30.560 2.249 0.985 0.929 0.917 0.833 CA 1.508 13 residues pruned to eliminate duplicates Z: 26 16.386 2.060 0.736 0.409 0.800 0.400 CB 1.260 26 residues pruned to eliminate duplicates Z: 13 10.393 1.826 0.451 0.325 0.917 0.417 CB 1.496 13 residues pruned to eliminate duplicates Z: 12 20.315 2.244 1.260 0.612 0.818 0.273 CA 1.328 12 residues pruned to eliminate duplicates Z: 37 33.372 2.232 0.972 0.455 0.889 0.583 CB 1.488 37 residues pruned to eliminate duplicates Z: 18 31.002 2.115 0.940 0.863 0.941 0.824 CB 1.429 18 residues pruned to eliminate duplicates Z: 31 30.538 2.274 0.723 0.543 0.833 0.600 CB 1.637 31 residues pruned to eliminate duplicates Z: 61 55.378 2.300 1.047 0.541 0.867 0.450 CB 1.683 61 residues pruned to eliminate duplicates Z: 26 20.947 2.201 0.772 0.400 0.760 0.480 CB 1.571 26 residues pruned to eliminate duplicates Z: 60 50.753 2.350 1.039 0.477 0.881 0.576 CB 1.602 60 residues pruned to eliminate duplicates Z: 105 61.103 2.320 0.806 0.505 0.865 0.577 CB 1.643 179 residues pruned to eliminate duplicates Z: 13 24.447 2.029 0.783 0.879 0.917 0.750 CA 1.544 13 residues pruned to eliminate duplicates Z: 7 7.891 1.976 0.272 0.465 0.833 0.667 O 1.593 7 residues pruned to eliminate duplicates Z: 16 17.538 2.185 0.755 0.386 0.867 0.533 CB 1.537 16 residues pruned to eliminate duplicates Z: 9 14.947 1.729 0.652 0.850 1.000 0.625 CB 1.370 9 residues pruned to eliminate duplicates Z: 14 22.050 1.939 0.817 0.850 0.923 0.846 CB 1.393 14 residues pruned to eliminate duplicates Z: 10 20.243 2.165 0.910 0.835 1.000 0.778 CA 1.222 10 residues pruned to eliminate duplicates Z: 14 38.248 2.377 0.811 0.897 1.000 0.923 CB 1.764 14 residues pruned to eliminate duplicates Z: 9 13.056 2.031 0.964 0.620 0.625 0.375 CA 1.654 9 residues pruned to eliminate duplicates Z: 62 48.678 2.303 0.855 0.470 0.902 0.574 CB 1.669 62 residues pruned to eliminate duplicates Z: 17 17.705 2.142 0.604 0.332 0.938 0.500 CB 1.652 17 residues pruned to eliminate duplicates Z: 19 14.145 2.153 0.672 0.477 0.833 0.444 CB 1.137 19 residues pruned to eliminate duplicates Z: 17 15.723 2.137 0.629 0.421 0.750 0.500 CB 1.635 Z: 14 32.425 2.314 0.930 0.837 0.923 0.615 CB 1.631 14 residues pruned to eliminate duplicates Z: 28 28.162 2.339 0.959 0.445 0.815 0.519 CB 1.535 28 residues pruned to eliminate duplicates Z: 14 22.845 2.221 0.622 0.578 0.923 0.462 CB 1.768 14 residues pruned to eliminate duplicates Z: 6 3.451 1.675 0.660 0.801 0.800 0.800 CB 0.533 6 residues pruned to eliminate duplicates Z: 60 44.508 2.350 0.843 0.484 0.881 0.627 CB 1.543 60 residues pruned to eliminate duplicates 7 1.470 1.431 0.228 0.185 0.667 0.333 CB 0.747 ? Z: 13 13.286 1.971 0.630 0.365 0.917 0.500 CB 1.506 Z: 10 5.373 1.834 0.796 0.483 0.556 0.222 CB 0.996 10 residues pruned to eliminate duplicates Z: 12 39.902 2.329 1.267 0.930 1.000 0.909 CB 1.593 12 residues pruned to eliminate duplicates Z: 13 25.877 2.330 1.021 0.844 0.917 0.667 CB 1.288 13 residues pruned to eliminate duplicates Z: 39 24.868 2.117 0.698 0.405 0.895 0.421 CB 1.386 39 residues pruned to eliminate duplicates Z: 10 21.415 2.016 1.005 0.868 1.000 0.889 CA 1.291 10 residues pruned to eliminate duplicates Z: 25 21.873 2.128 0.735 0.487 0.833 0.500 CB 1.470 25 residues pruned to eliminate duplicates Z: 31 22.713 2.100 0.664 0.450 0.967 0.567 CB 1.292 31 residues pruned to eliminate duplicates Z: 23 30.659 2.294 0.980 0.459 0.818 0.500 CB 1.835 23 residues pruned to eliminate duplicates Z: 30 29.478 2.209 0.904 0.381 0.931 0.483 CB 1.587 30 residues pruned to eliminate duplicates Z: 16 36.410 2.303 0.860 0.827 0.933 0.600 CB 1.772 16 residues pruned to eliminate duplicates Z: 10 23.437 2.269 0.749 0.907 1.000 1.000 CA 1.398 10 residues pruned to eliminate duplicates Z: 18 8.956 2.143 0.232 0.420 0.824 0.471 CB 1.085 18 residues pruned to eliminate duplicates Z: 6 4.380 1.940 0.049 0.495 0.800 0.600 CB 1.210 6 residues pruned to eliminate duplicates Z: 24 32.458 2.146 1.092 0.572 0.913 0.609 CA 1.541 25 residues pruned to eliminate duplicates Z: 15 5.255 1.853 0.086 0.360 0.571 0.429 CB 1.419 Z: 42 35.566 2.264 0.780 0.502 0.902 0.463 CB 1.524 42 residues pruned to eliminate duplicates Z: 6 2.466 1.680 0.560 0.397 0.400 0.400 CB 1.173 Z: 8 6.830 1.432 1.289 0.663 0.857 0.429 N 0.790 8 residues pruned to eliminate duplicates Z: 23 32.304 2.263 1.108 0.492 0.864 0.591 CB 1.685 23 residues pruned to eliminate duplicates Z: 50 51.280 2.336 0.980 0.525 0.939 0.408 CB 1.647 50 residues pruned to eliminate duplicates Z: 9 7.708 2.027 -0.017 0.510 1.000 0.625 CB 1.355 9 residues pruned to eliminate duplicates Z: 8 6.150 1.747 0.751 0.470 1.000 0.714 CB 0.784 Z: 6 6.403 1.962 0.262 0.582 0.800 0.400 CB 1.337 6 residues pruned to eliminate duplicates Z: 16 21.910 2.378 0.672 0.409 0.867 0.467 CA 1.806 16 residues pruned to eliminate duplicates Z: 15 42.766 2.386 0.907 0.865 1.000 0.857 CA 1.841 15 residues pruned to eliminate duplicates Z: 10 19.481 1.971 0.488 0.925 1.000 1.000 CB 1.555 10 residues pruned to eliminate duplicates Z: 38 37.109 2.191 0.905 0.552 0.865 0.568 CB 1.607 38 residues pruned to eliminate duplicates Z: 16 15.982 2.142 0.471 0.395 1.000 0.667 CB 1.464 15 residues pruned to eliminate duplicates Z: 6 5.487 1.910 0.435 0.557 0.600 0.400 CA 1.413 Z: 14 30.748 2.317 0.749 0.874 1.000 0.769 CA 1.531 14 residues pruned to eliminate duplicates Z: 7 6.197 2.046 0.403 0.365 0.833 0.500 CA 1.223 Z: 6 10.838 2.013 0.967 0.804 0.800 0.800 CA 1.173 6 residues pruned to eliminate duplicates Z: 15 17.738 1.973 0.734 0.663 1.000 0.500 CB 1.192 Z: 78 47.917 2.263 0.786 0.519 0.870 0.545 CB 1.524 78 residues pruned to eliminate duplicates Z: 38 31.289 2.280 0.854 0.430 0.838 0.541 CB 1.561 38 residues pruned to eliminate duplicates Z: 11 23.641 2.033 0.985 0.915 1.000 0.800 CB 1.310 11 residues pruned to eliminate duplicates Z: 8 5.696 1.886 0.328 0.442 0.857 0.571 CB 1.064 8 residues pruned to eliminate duplicates Z: 15 47.451 2.684 0.975 0.831 0.929 0.500 CA 1.936 15 residues pruned to eliminate duplicates Z: 96 72.424 2.307 1.044 0.559 0.874 0.621 CB 1.702 111 residues pruned to eliminate duplicates Z: 22 19.126 2.210 0.872 0.407 0.714 0.619 CA 1.556 22 residues pruned to eliminate duplicates Z: 10 8.005 2.115 0.739 0.294 0.556 0.333 CB 1.645 10 residues pruned to eliminate duplicates Z: 40 47.624 2.392 1.101 0.521 0.897 0.538 CB 1.656 40 residues pruned to eliminate duplicates Z: 21 6.535 1.786 0.413 0.235 0.750 0.400 CB 1.051 21 residues pruned to eliminate duplicates Z: 25 27.798 2.136 0.798 0.565 0.875 0.708 CB 1.585 25 residues pruned to eliminate duplicates Z: 10 24.848 2.267 1.047 0.917 0.889 0.667 CA 1.417 10 residues pruned to eliminate duplicates Z: 39 42.106 2.372 1.014 0.436 0.895 0.421 CB 1.707 39 residues pruned to eliminate duplicates 6 1.522 1.570 0.498 0.399 0.600 0.400 CB 0.537 ? Z: 41 33.634 2.420 0.736 0.499 0.850 0.450 CB 1.490 41 residues pruned to eliminate duplicates Z: 44 48.318 2.426 1.019 0.528 0.930 0.512 CB 1.572 44 residues pruned to eliminate duplicates Z: 17 21.397 2.175 0.806 0.535 0.938 0.625 CB 1.404 17 residues pruned to eliminate duplicates Z: 13 37.311 2.165 1.459 0.918 0.917 0.500 CA 1.557 13 residues pruned to eliminate duplicates Z: 33 29.118 2.186 0.861 0.540 0.812 0.656 CB 1.498 33 residues pruned to eliminate duplicates Z: 11 8.072 2.123 0.661 0.390 0.600 0.600 CB 1.356 11 residues pruned to eliminate duplicates Z: 27 14.534 1.968 0.479 0.379 0.731 0.385 CB 1.525 27 residues pruned to eliminate duplicates Z: 9 13.585 2.125 1.125 0.585 0.625 0.250 CA 1.568 9 residues pruned to eliminate duplicates Z: 39 26.042 2.238 0.756 0.393 0.816 0.526 CB 1.475 12 residues pruned to eliminate duplicates Z: 9 12.442 2.294 0.231 0.635 1.000 0.625 CA 1.373 9 residues pruned to eliminate duplicates Z: 31 19.601 2.054 0.582 0.405 0.767 0.500 CB 1.588 31 residues pruned to eliminate duplicates Z: 11 24.072 1.900 1.374 0.917 1.000 0.400 CB 1.191 11 residues pruned to eliminate duplicates Z: 10 8.671 1.672 0.822 0.413 0.889 0.444 CB 1.169 10 residues pruned to eliminate duplicates Z: 11 17.484 2.018 1.170 0.807 0.900 0.300 CA 1.073 11 residues pruned to eliminate duplicates Z: 13 11.142 1.647 0.849 0.705 0.750 0.667 CA 1.168 13 residues pruned to eliminate duplicates Z: 9 20.926 2.287 0.858 0.434 1.000 0.500 CB 1.865 9 residues pruned to eliminate duplicates Z: 17 23.852 2.073 1.107 0.501 0.875 0.562 CB 1.559 17 residues pruned to eliminate duplicates Z: 13 19.454 1.856 0.681 0.905 1.000 0.833 CB 1.281 Z: 10 7.805 2.037 0.494 0.401 0.778 0.444 CB 1.221 10 residues pruned to eliminate duplicates Z: 19 8.163 1.756 0.389 0.429 0.833 0.556 CB 1.019 9 residues pruned to eliminate duplicates Z: 16 35.083 2.374 0.897 0.883 0.867 0.867 CA 1.679 16 residues pruned to eliminate duplicates Z: 18 25.433 2.113 0.813 0.530 0.941 0.529 CA 1.661 18 residues pruned to eliminate duplicates Z: 14 33.138 2.091 1.191 0.898 1.000 0.385 CB 1.435 14 residues pruned to eliminate duplicates Z: 8 7.657 2.102 0.684 0.243 0.714 0.429 CB 1.540 8 residues pruned to eliminate duplicates Z: 31 54.401 2.488 1.183 0.632 0.933 0.633 CA 1.732 31 residues pruned to eliminate duplicates Z: 30 26.953 2.253 0.861 0.525 0.897 0.379 CB 1.299 30 residues pruned to eliminate duplicates Z: 29 32.776 2.177 0.888 0.568 0.893 0.643 CB 1.581 29 residues pruned to eliminate duplicates Z: 16 43.257 2.564 0.739 0.849 1.000 0.733 CA 1.858 16 residues pruned to eliminate duplicates Z: 10 13.613 2.137 0.662 0.455 0.889 0.667 CB 1.504 Z: 17 49.903 2.339 1.348 0.870 0.875 0.562 CA 1.895 17 residues pruned to eliminate duplicates Z: 34 27.312 2.194 0.851 0.457 0.848 0.515 CB 1.442 34 residues pruned to eliminate duplicates Z: 10 10.721 1.666 0.632 0.751 0.889 0.667 CA 1.182 11 residues pruned to eliminate duplicates Z: 101 66.356 2.321 0.952 0.495 0.870 0.590 CB 1.693 193 residues pruned to eliminate duplicates Z: 11 18.144 1.960 0.804 0.791 1.000 0.600 CB 1.257 11 residues pruned to eliminate duplicates Z: 16 9.452 1.895 0.174 0.513 0.733 0.533 CB 1.477 6 residues pruned to eliminate duplicates Z: 18 12.693 1.830 0.473 0.520 0.824 0.529 CA 1.360 Z: 7 2.933 1.480 0.501 0.334 0.667 0.333 CB 0.970 7 residues pruned to eliminate duplicates Z: 6 4.512 1.738 0.631 0.591 0.600 0.400 CB 1.088 Z: 55 60.883 2.467 1.065 0.495 0.907 0.556 CB 1.801 55 residues pruned to eliminate duplicates Z: 12 43.482 2.322 1.360 0.927 1.000 0.727 CB 1.677 12 residues pruned to eliminate duplicates Z: 8 9.394 1.793 0.190 0.849 0.857 0.857 CA 1.440 Z: 38 47.018 2.299 1.068 0.550 0.919 0.622 CB 1.685 38 residues pruned to eliminate duplicates Z: 11 17.082 1.819 0.696 0.839 1.000 1.000 CA 1.308 10 residues pruned to eliminate duplicates Z: 17 47.881 2.492 1.038 0.868 0.938 0.750 CA 1.838 17 residues pruned to eliminate duplicates Z: 9 10.536 2.088 0.420 0.579 0.750 0.625 CA 1.553 9 residues pruned to eliminate duplicates Z: 11 25.336 2.069 1.297 0.868 1.000 0.800 CA 1.232 11 residues pruned to eliminate duplicates Z: 23 16.580 2.187 0.680 0.378 0.818 0.500 CB 1.339 23 residues pruned to eliminate duplicates Z: 38 34.164 2.245 0.742 0.475 0.919 0.676 CB 1.603 38 residues pruned to eliminate duplicates Z: 25 29.694 2.061 0.966 0.650 0.917 0.833 CB 1.419 25 residues pruned to eliminate duplicates Z: 11 29.224 2.378 1.252 0.680 0.900 0.400 CA 1.626 9 residues pruned to eliminate duplicates Z: 17 11.770 1.929 0.635 0.434 0.938 0.750 CB 1.066 17 residues pruned to eliminate duplicates Z: 14 25.301 2.373 0.761 0.478 0.923 0.538 CB 1.860 15 residues pruned to eliminate duplicates Z: 13 26.883 2.040 1.104 0.884 0.917 0.667 CB 1.425 13 residues pruned to eliminate duplicates Z: 16 30.289 2.007 0.827 0.867 1.000 0.800 CA 1.561 16 residues pruned to eliminate duplicates Z: 7 6.700 1.687 0.669 0.458 0.833 0.333 CB 1.217 Z: 16 22.322 2.059 0.620 0.889 0.933 0.533 CA 1.333 16 residues pruned to eliminate duplicates Z: 53 50.080 2.345 0.941 0.544 0.904 0.615 CB 1.617 53 residues pruned to eliminate duplicates Z: 93 54.827 2.289 0.889 0.432 0.902 0.457 CB 1.571 77 residues pruned to eliminate duplicates Z: 25 31.695 2.295 0.888 0.510 0.833 0.542 CB 1.775 25 residues pruned to eliminate duplicates Z: 38 27.639 2.098 0.865 0.464 0.838 0.459 CB 1.437 36 residues pruned to eliminate duplicates Z: 34 43.636 2.402 1.061 0.515 0.909 0.485 CB 1.663 34 residues pruned to eliminate duplicates Z: 6 5.636 1.854 0.558 0.672 0.800 0.800 N 0.930 Z: 11 14.772 2.119 0.650 0.876 0.900 0.900 CA 1.079 11 residues pruned to eliminate duplicates Z: 18 19.160 2.185 1.016 0.442 0.882 0.471 CB 1.269 18 residues pruned to eliminate duplicates Z: 16 17.233 2.182 0.562 0.364 0.933 0.600 CB 1.619 16 residues pruned to eliminate duplicates Z: 10 11.083 1.758 0.670 0.725 0.778 0.556 O 1.321 10 residues pruned to eliminate duplicates Z: 7 18.650 2.460 1.133 0.671 0.667 0.667 CB 1.858 7 residues pruned to eliminate duplicates Z: 6 9.122 1.930 0.041 0.783 1.000 0.800 C 1.583 6 residues pruned to eliminate duplicates Z: 13 10.719 2.132 0.437 0.453 0.750 0.750 CB 1.414 13 residues pruned to eliminate duplicates Z: 26 27.991 2.189 0.900 0.486 0.840 0.560 CB 1.625 26 residues pruned to eliminate duplicates Z: 106 76.387 2.348 1.050 0.509 0.895 0.562 CB 1.714 106 residues pruned to eliminate duplicates Z: 8 15.193 1.766 1.011 0.891 1.000 0.571 CA 1.162 8 residues pruned to eliminate duplicates Z: 9 5.528 1.894 0.154 0.392 0.875 0.625 N 1.147 Z: 13 21.234 1.841 0.764 0.910 1.000 1.000 CB 1.339 14 residues pruned to eliminate duplicates Z: 7 3.955 1.848 0.532 0.248 0.667 0.667 CB 1.143 Z: 18 16.025 2.139 0.520 0.352 0.882 0.412 CA 1.589 18 residues pruned to eliminate duplicates Z: 9 2.723 1.827 0.300 0.481 0.875 0.500 CB 0.472 Z: 12 4.397 1.848 0.206 0.324 0.727 0.364 CB 0.993 Z: 12 22.794 1.915 0.920 0.873 1.000 0.909 CB 1.362 12 residues pruned to eliminate duplicates Z: 22 35.993 2.271 0.798 0.710 0.952 0.762 CA 1.669 22 residues pruned to eliminate duplicates Z: 28 33.582 2.209 0.740 0.617 0.889 0.667 CA 1.693 28 residues pruned to eliminate duplicates Z: 9 11.096 1.669 0.861 0.818 0.750 0.625 N 1.278 9 residues pruned to eliminate duplicates Z: 15 32.109 2.211 0.960 0.922 0.929 0.714 CB 1.499 15 residues pruned to eliminate duplicates Z: 7 7.909 2.121 0.776 0.476 0.667 0.667 CB 1.317 Z: 12 19.528 2.198 1.097 0.742 0.727 0.455 CA 1.414 11 residues pruned to eliminate duplicates Z: 13 11.911 2.210 0.397 0.409 0.833 0.583 CB 1.470 12 residues pruned to eliminate duplicates Z: 18 17.333 1.897 0.924 0.553 0.706 0.353 N 1.550 18 residues pruned to eliminate duplicates Z: 7 15.108 1.856 1.240 0.688 0.833 0.833 O 1.499 Z: 23 25.256 2.131 0.547 0.695 0.909 0.773 CA 1.504 23 residues pruned to eliminate duplicates Z: 12 29.612 2.138 1.036 0.843 1.000 0.818 CA 1.527 12 residues pruned to eliminate duplicates Z: 41 29.668 2.172 0.839 0.448 0.850 0.625 CB 1.458 172 residues pruned to eliminate duplicates Z: 31 34.803 2.340 0.874 0.570 0.900 0.567 CB 1.504 31 residues pruned to eliminate duplicates Z: 6 7.002 1.870 0.850 0.335 0.800 0.600 N 1.355 Z: 7 3.338 1.572 0.472 0.396 0.667 0.500 CA 0.986 Z: 30 26.773 2.151 0.985 0.428 0.828 0.552 CB 1.516 30 residues pruned to eliminate duplicates Z: 33 20.578 2.022 0.711 0.455 0.750 0.500 CB 1.468 33 residues pruned to eliminate duplicates Z: 44 46.296 2.318 0.939 0.489 0.953 0.512 CB 1.665 44 residues pruned to eliminate duplicates Z: 15 18.864 1.770 0.698 0.888 0.929 0.714 CB 1.302 14 residues pruned to eliminate duplicates Z: 7 4.812 1.651 0.361 0.545 0.667 0.333 C 1.255 Z: 11 8.878 1.976 0.851 0.356 0.800 0.700 CB 1.120 Z: 21 12.214 1.993 0.730 0.369 0.850 0.600 CB 1.072 21 residues pruned to eliminate duplicates Z: 17 40.453 2.218 1.169 0.871 1.000 0.625 CA 1.533 17 residues pruned to eliminate duplicates Z: 7 9.945 1.849 0.520 0.690 0.833 0.667 CB 1.457 7 residues pruned to eliminate duplicates Z: 6 9.341 1.865 1.103 0.672 0.800 0.800 N 1.136 Z: 24 45.559 2.316 1.223 0.679 0.913 0.696 CB 1.714 Z: 7 13.062 2.180 0.829 0.710 1.000 1.000 CB 1.105 7 residues pruned to eliminate duplicates Z: 9 16.160 2.020 1.198 0.649 0.750 0.500 CA 1.493 9 residues pruned to eliminate duplicates Z: 78 69.806 2.331 1.054 0.531 0.883 0.610 CA 1.825 78 residues pruned to eliminate duplicates Z: 12 27.603 2.222 0.849 0.843 0.818 0.455 CB 1.844 12 residues pruned to eliminate duplicates Z: 16 57.366 2.644 1.152 0.871 1.000 0.533 CA 1.900 16 residues pruned to eliminate duplicates Z: 11 17.338 2.123 0.808 0.497 0.900 0.800 CB 1.591 11 residues pruned to eliminate duplicates Z: 7 11.075 1.779 0.632 0.842 1.000 0.833 CB 1.161 7 residues pruned to eliminate duplicates Z: 15 11.931 1.904 0.364 0.471 0.929 0.571 CB 1.361 15 residues pruned to eliminate duplicates Z: 7 9.959 1.617 1.021 0.808 0.833 0.667 CA 1.141 7 residues pruned to eliminate duplicates Z: 6 6.124 1.901 0.624 0.515 0.600 0.200 CB 1.456 Z: 10 9.735 1.645 0.575 0.812 0.889 0.444 CA 1.074 Z: 58 43.311 2.283 0.898 0.472 0.895 0.456 CB 1.523 85 residues pruned to eliminate duplicates Z: 47 28.753 2.137 0.874 0.375 0.848 0.370 CB 1.427 47 residues pruned to eliminate duplicates Z: 11 27.823 2.049 0.966 0.860 1.000 0.700 CA 1.607 11 residues pruned to eliminate duplicates Z: 48 39.871 2.313 0.860 0.446 0.830 0.447 CB 1.723 48 residues pruned to eliminate duplicates Z: 29 23.756 2.038 0.711 0.571 0.857 0.500 CB 1.403 29 residues pruned to eliminate duplicates Z: 93 53.357 2.292 0.953 0.410 0.826 0.489 CB 1.654 93 residues pruned to eliminate duplicates Z: 6 6.389 1.550 0.661 0.642 1.000 0.600 N 0.971 6 residues pruned to eliminate duplicates Z: 13 19.527 2.215 0.669 0.483 0.917 0.750 CA 1.693 13 residues pruned to eliminate duplicates Z: 11 4.201 1.826 0.032 0.515 0.900 0.500 CB 0.772 Z: 51 59.120 2.401 1.214 0.496 0.900 0.560 CB 1.754 Z: 7 9.169 1.922 0.855 0.694 1.000 0.833 CB 0.879 Z: 35 25.821 2.242 0.638 0.387 0.912 0.500 CB 1.492 35 residues pruned to eliminate duplicates Z: 7 4.161 1.782 0.386 0.406 0.833 0.667 CB 0.911 2 residues pruned to eliminate duplicates Z: 18 16.487 2.056 0.641 0.543 0.824 0.529 CB 1.380 18 residues pruned to eliminate duplicates Z: 50 41.658 2.269 0.849 0.530 0.857 0.571 CB 1.606 42 residues pruned to eliminate duplicates Z: 8 8.156 1.820 0.734 0.443 1.000 0.571 CB 1.035 Z: 39 51.126 2.326 1.150 0.608 0.895 0.684 CB 1.673 20 residues pruned to eliminate duplicates Z: 7 5.872 1.801 0.620 0.339 0.667 0.500 CB 1.468 Z: 6 8.212 2.066 0.626 0.519 1.000 0.800 CB 1.073 Z: 16 28.588 2.030 0.981 0.824 0.933 0.733 CB 1.485 16 residues pruned to eliminate duplicates Z: 28 21.409 1.999 0.855 0.388 0.926 0.444 CB 1.352 31 residues pruned to eliminate duplicates Z: 16 21.690 2.236 0.788 0.496 0.933 0.533 CB 1.508 16 residues pruned to eliminate duplicates Z: 15 24.596 2.181 1.001 0.458 0.929 0.429 CB 1.693 15 residues pruned to eliminate duplicates Z: 6 3.934 1.678 0.417 0.523 0.600 0.400 C 1.206 6 residues pruned to eliminate duplicates Z: 61 60.817 2.354 1.130 0.540 0.867 0.517 CA 1.737 65 residues pruned to eliminate duplicates Z: 12 23.898 2.045 0.994 0.823 1.000 0.636 CB 1.336 12 residues pruned to eliminate duplicates Z: 9 20.552 2.186 1.213 0.782 0.875 0.250 CB 1.339 9 residues pruned to eliminate duplicates Z: 29 35.807 2.395 0.801 0.588 0.857 0.607 CB 1.682 29 residues pruned to eliminate duplicates Z: 7 8.527 1.793 0.607 0.777 0.833 0.667 CA 1.135 7 residues pruned to eliminate duplicates Z: 7 9.121 1.779 0.355 0.787 1.000 0.333 CA 1.201 Z: 6 4.389 1.687 0.359 0.297 0.800 0.400 O 1.343 Z: 15 27.686 2.250 0.706 0.891 1.000 0.857 CA 1.386 Z: 7 9.026 1.738 0.439 0.622 1.000 0.500 CA 1.314 7 residues pruned to eliminate duplicates Z: 27 24.672 2.167 0.910 0.372 0.808 0.615 CB 1.658 Z: 6 7.268 1.741 0.898 0.735 1.000 0.600 CA 0.796 6 residues pruned to eliminate duplicates Z: 38 28.961 2.122 0.691 0.554 0.784 0.459 CB 1.606 38 residues pruned to eliminate duplicates Z: 8 16.775 2.136 1.030 0.599 1.000 0.714 CA 1.331 8 residues pruned to eliminate duplicates Z: 26 28.852 2.085 0.727 0.580 0.920 0.680 CA 1.613 41 residues pruned to eliminate duplicates Z: 20 12.842 2.172 0.362 0.321 0.737 0.579 CB 1.646 20 residues pruned to eliminate duplicates Z: 65 51.036 2.327 0.921 0.498 0.828 0.516 CB 1.727 65 residues pruned to eliminate duplicates Z: 6 13.939 2.039 1.169 0.681 0.800 0.800 CA 1.492 6 residues pruned to eliminate duplicates Z: 20 22.638 2.116 0.698 0.565 0.895 0.526 CB 1.517 20 residues pruned to eliminate duplicates Z: 21 19.012 2.173 0.865 0.429 0.800 0.500 CB 1.412 21 residues pruned to eliminate duplicates Z: 20 22.735 2.245 0.643 0.383 0.947 0.684 CB 1.690 26 residues pruned to eliminate duplicates Z: 7 12.776 1.813 0.647 0.787 1.000 0.667 CA 1.357 7 residues pruned to eliminate duplicates Z: 13 7.335 1.971 0.480 0.360 0.750 0.667 CB 1.125 13 residues pruned to eliminate duplicates Z: 11 14.909 2.051 0.538 0.892 1.000 0.900 CA 1.074 11 residues pruned to eliminate duplicates Z: 13 28.366 2.305 0.901 0.859 0.917 0.917 CA 1.501 13 residues pruned to eliminate duplicates Z: 17 53.174 2.337 1.422 0.923 1.000 0.938 CA 1.651 17 residues pruned to eliminate duplicates Z: 16 39.458 2.483 0.814 0.835 0.933 0.600 CB 1.815 16 residues pruned to eliminate duplicates Z: 6 9.115 1.820 0.612 0.703 1.000 0.400 CA 1.155 Z: 9 3.998 1.840 0.548 0.263 0.750 0.500 CB 0.867 9 residues pruned to eliminate duplicates Z: 16 47.627 2.301 1.038 0.894 1.000 0.800 CA 1.881 16 residues pruned to eliminate duplicates Z: 13 31.489 2.384 0.892 0.916 0.917 0.750 CB 1.553 Z: 29 31.119 2.311 0.931 0.451 0.857 0.607 CB 1.617 29 residues pruned to eliminate duplicates Z: 49 38.328 2.159 0.780 0.556 0.854 0.500 CB 1.596 49 residues pruned to eliminate duplicates Z: 25 12.947 2.003 0.681 0.295 0.708 0.458 CB 1.394 25 residues pruned to eliminate duplicates Z: 23 14.066 1.810 0.496 0.362 0.909 0.409 CB 1.413 23 residues pruned to eliminate duplicates Z: 19 17.182 2.117 0.712 0.500 0.889 0.611 CB 1.256 19 residues pruned to eliminate duplicates Z: 19 9.267 1.865 0.731 0.415 0.833 0.611 CB 0.887 19 residues pruned to eliminate duplicates Z: 29 21.818 2.009 0.618 0.578 0.893 0.643 CB 1.318 42 residues pruned to eliminate duplicates Z: 145 74.911 2.303 0.971 0.491 0.875 0.528 CB 1.586 337 residues pruned to eliminate duplicates Z: 20 23.592 2.174 0.603 0.607 0.895 0.737 CB 1.568 Z: 10 11.000 1.963 0.194 0.642 0.889 0.778 CB 1.540 10 residues pruned to eliminate duplicates Z: 38 56.859 2.499 1.139 0.527 0.919 0.649 CA 1.854 38 residues pruned to eliminate duplicates Z: 9 11.398 1.993 0.617 0.590 1.000 0.750 CB 1.147 8 residues pruned to eliminate duplicates Z: 6 19.725 2.273 0.952 0.827 1.000 0.400 CA 1.499 Z: 9 15.479 1.658 0.817 0.849 1.000 0.625 CB 1.347 9 residues pruned to eliminate duplicates Z: 15 19.315 2.281 0.425 0.442 1.000 0.500 CB 1.687 15 residues pruned to eliminate duplicates Z: 17 19.886 2.098 0.977 0.540 0.938 0.500 CB 1.229 17 residues pruned to eliminate duplicates Z: 8 6.995 1.762 0.067 0.713 1.000 0.714 CB 1.159 8 residues pruned to eliminate duplicates Z: 58 56.431 2.384 0.974 0.505 0.895 0.632 CB 1.767 58 residues pruned to eliminate duplicates Z: 8 4.501 1.744 0.518 0.454 0.571 0.571 CB 1.179 Z: 7 2.147 1.929 0.192 0.519 0.833 0.500 CB 0.449 Z: 12 15.663 2.174 0.749 0.428 1.000 0.636 CB 1.338 12 residues pruned to eliminate duplicates Z: 15 15.435 1.953 0.701 0.494 0.857 0.786 CB 1.458 15 residues pruned to eliminate duplicates Z: 17 12.610 1.943 0.480 0.377 0.875 0.438 CB 1.429 Z: 57 62.918 2.345 1.145 0.554 0.982 0.589 CB 1.615 57 residues pruned to eliminate duplicates Z: 9 7.347 2.047 0.454 0.455 0.750 0.500 CB 1.218 Z: 8 2.671 1.468 0.647 0.229 0.571 0.286 CB 1.002 Z: 9 16.425 1.973 0.575 0.904 1.000 0.875 CA 1.330 Z: 28 20.809 2.177 0.675 0.447 0.741 0.481 CA 1.565 28 residues pruned to eliminate duplicates Z: 14 9.709 1.584 0.849 0.460 0.846 0.462 O 1.132 Z: 55 36.680 2.278 0.913 0.380 0.815 0.519 CB 1.597 55 residues pruned to eliminate duplicates Z: 9 3.344 1.668 0.112 0.250 0.750 0.500 C 1.133 Z: 6 3.640 1.183 0.578 0.679 0.800 0.800 N 0.924 Z: 6 5.773 1.854 0.471 0.429 0.800 0.600 CB 1.274 6 residues pruned to eliminate duplicates Z: 12 5.368 1.662 -0.081 0.488 1.000 0.636 CB 1.074 Z: 8 14.501 1.859 0.957 0.811 0.857 0.429 CA 1.341 10 residues pruned to eliminate duplicates Z: 46 49.223 2.402 1.015 0.490 0.933 0.489 CB 1.641 Z: 18 19.121 1.976 1.013 0.351 0.941 0.529 CB 1.455 18 residues pruned to eliminate duplicates Z: 18 12.165 2.114 0.486 0.373 0.882 0.588 CB 1.219 Z: 29 16.372 2.063 0.712 0.314 0.750 0.357 CA 1.435 29 residues pruned to eliminate duplicates Z: 8 11.593 2.242 0.655 0.576 0.857 0.571 CB 1.280 3 residues pruned to eliminate duplicates Z: 6 6.421 1.847 0.658 0.832 0.800 0.600 CB 0.880 6 residues pruned to eliminate duplicates Z: 18 10.001 1.937 0.599 0.258 0.824 0.588 CB 1.254 18 residues pruned to eliminate duplicates Z: 96 78.166 2.396 1.050 0.523 0.895 0.547 CB 1.784 11 residues pruned to eliminate duplicates Z: 22 28.475 2.249 0.935 0.614 0.857 0.762 CB 1.495 22 residues pruned to eliminate duplicates Z: 14 28.882 2.330 0.545 0.895 1.000 0.846 CA 1.595 8 residues pruned to eliminate duplicates Z: 6 9.678 1.859 0.797 0.763 1.000 1.000 CB 1.025 Z: 7 4.704 1.872 -0.208 0.669 1.000 0.667 CB 1.107 7 residues pruned to eliminate duplicates Z: 16 37.785 2.192 1.096 0.903 1.000 0.733 CB 1.513 16 residues pruned to eliminate duplicates Z: 6 14.690 2.325 0.834 0.772 0.800 0.400 CA 1.514 6 residues pruned to eliminate duplicates 6 0.016 1.656 -0.129 0.300 0.800 0.800 CB 0.008 ? Z: 33 28.819 2.189 0.865 0.495 0.875 0.625 CB 1.432 33 residues pruned to eliminate duplicates Z: 53 57.681 2.295 1.197 0.548 0.865 0.615 CB 1.749 53 residues pruned to eliminate duplicates Z: 8 7.985 1.888 0.714 0.498 1.000 0.714 CB 0.934 8 residues pruned to eliminate duplicates Z: 8 4.945 1.759 -0.038 0.425 1.000 0.571 CB 1.194 8 residues pruned to eliminate duplicates Z: 13 28.420 2.262 1.087 0.865 0.833 0.667 CA 1.527 13 residues pruned to eliminate duplicates Z: 17 41.486 2.236 1.160 0.886 1.000 0.812 CB 1.550 17 residues pruned to eliminate duplicates Z: 6 10.944 1.941 0.738 0.787 1.000 1.000 CB 1.127 Z: 11 14.264 2.194 0.642 0.519 0.900 0.600 CB 1.366 7 residues pruned to eliminate duplicates Z: 9 6.315 1.972 0.713 0.335 0.625 0.375 CB 1.267 9 residues pruned to eliminate duplicates Z: 18 14.213 2.132 0.673 0.437 0.882 0.588 CB 1.169 18 residues pruned to eliminate duplicates Z: 22 13.996 2.082 0.569 0.360 0.762 0.476 CB 1.427 22 residues pruned to eliminate duplicates Z: 16 32.336 2.123 0.923 0.902 1.000 0.667 CA 1.459 16 residues pruned to eliminate duplicates Z: 85 75.734 2.368 1.024 0.532 0.952 0.571 CB 1.754 85 residues pruned to eliminate duplicates Z: 7 3.489 1.567 0.739 0.262 0.667 0.333 CA 1.029 Z: 6 2.508 1.546 0.125 0.639 0.800 0.400 CA 0.708 Z: 7 6.367 1.755 0.289 0.404 1.000 0.833 CB 1.270 Z: 24 30.864 2.225 0.996 0.498 0.913 0.435 CB 1.590 24 residues pruned to eliminate duplicates Z: 46 43.312 2.312 0.828 0.531 0.911 0.533 CB 1.626 46 residues pruned to eliminate duplicates Z: 36 42.742 2.391 1.027 0.440 0.943 0.600 CB 1.681 36 residues pruned to eliminate duplicates Z: 7 5.592 1.783 0.515 0.349 1.000 0.500 CB 0.995 Z: 14 25.903 1.821 1.225 0.927 0.923 0.308 CB 1.345 14 residues pruned to eliminate duplicates Z: 28 39.896 2.236 1.011 0.625 0.963 0.630 CB 1.577 28 residues pruned to eliminate duplicates Z: 6 5.048 2.012 -0.013 0.801 1.000 0.800 CB 0.873 6 residues pruned to eliminate duplicates Z: 14 7.483 1.823 0.548 0.406 0.538 0.538 N 1.507 14 residues pruned to eliminate duplicates Z: 7 2.274 1.488 0.807 0.339 0.667 0.333 CB 0.617 7 residues pruned to eliminate duplicates Z: 10 21.028 2.046 0.644 0.911 1.000 0.889 CB 1.477 10 residues pruned to eliminate duplicates Z: 10 16.166 2.051 0.486 0.908 1.000 0.889 CA 1.256 10 residues pruned to eliminate duplicates Z: 15 18.177 2.159 0.555 0.380 1.000 0.500 CB 1.644 15 residues pruned to eliminate duplicates Z: 21 39.413 2.249 0.985 0.770 0.950 0.800 CB 1.636 21 residues pruned to eliminate duplicates Z: 16 8.643 1.904 0.639 0.263 0.733 0.467 CB 1.277 16 residues pruned to eliminate duplicates Z: 10 5.078 1.642 0.473 0.298 0.889 0.444 CB 0.987 12 residues pruned to eliminate duplicates Z: 7 3.356 1.565 -0.093 0.495 1.000 0.500 O 0.970 Z: 13 24.770 1.854 0.989 0.905 1.000 0.833 CB 1.380 13 residues pruned to eliminate duplicates Z: 19 11.961 1.956 0.846 0.404 0.722 0.556 CB 1.196 19 residues pruned to eliminate duplicates Z: 22 25.173 1.910 0.939 0.663 0.952 0.619 CB 1.339 22 residues pruned to eliminate duplicates Z: 54 36.927 2.112 0.817 0.517 0.887 0.491 CB 1.466 83 residues pruned to eliminate duplicates Z: 26 33.079 2.350 1.087 0.519 0.800 0.520 CB 1.655 26 residues pruned to eliminate duplicates Z: 7 6.749 1.944 0.183 0.740 1.000 0.667 CB 0.966 11 residues pruned to eliminate duplicates Z: 40 40.064 2.081 0.769 0.653 0.949 0.538 CB 1.594 40 residues pruned to eliminate duplicates Z: 6 5.005 2.031 -0.075 0.535 0.800 0.400 CB 1.439 Z: 16 30.703 2.190 0.863 0.835 1.000 0.733 CA 1.455 16 residues pruned to eliminate duplicates Z: 61 58.871 2.303 1.030 0.557 0.933 0.567 CB 1.648 61 residues pruned to eliminate duplicates Z: 31 37.329 2.366 0.897 0.494 0.900 0.767 CB 1.698 31 residues pruned to eliminate duplicates Z: 11 11.117 1.794 0.721 0.459 0.800 0.300 N 1.485 11 residues pruned to eliminate duplicates Z: 6 3.426 1.296 0.338 0.867 1.000 0.600 N 0.646 6 residues pruned to eliminate duplicates Z: 14 5.034 1.647 0.420 0.291 0.769 0.462 CB 0.981 Z: 10 12.030 1.656 0.957 0.843 0.889 0.444 CB 1.037 10 residues pruned to eliminate duplicates Z: 6 10.774 2.073 0.612 0.789 0.800 0.400 CA 1.398 6 residues pruned to eliminate duplicates Z: 13 7.095 1.810 0.562 0.373 0.750 0.500 CB 1.107 19 residues pruned to eliminate duplicates Z: 15 48.003 2.679 1.009 0.843 0.929 0.571 CA 1.912 15 residues pruned to eliminate duplicates Z: 14 30.444 2.203 0.867 0.913 1.000 0.769 CA 1.453 14 residues pruned to eliminate duplicates Z: 16 38.788 2.430 0.873 0.898 1.000 0.867 CA 1.574 16 residues pruned to eliminate duplicates Z: 16 9.719 1.906 0.733 0.293 0.733 0.467 CB 1.307 8 residues pruned to eliminate duplicates Z: 13 22.648 1.833 1.090 0.894 1.000 0.417 CB 1.224 13 residues pruned to eliminate duplicates Z: 10 21.573 2.241 0.875 0.684 0.889 0.667 CA 1.627 Z: 32 54.656 2.561 1.125 0.551 0.935 0.613 CB 1.834 32 residues pruned to eliminate duplicates Z: 11 6.635 1.682 0.135 0.571 1.000 0.500 CB 1.026 Z: 10 20.823 2.433 1.094 0.631 0.778 0.333 CA 1.548 10 residues pruned to eliminate duplicates Z: 15 12.865 1.922 0.966 0.380 0.786 0.500 CB 1.316 15 residues pruned to eliminate duplicates Z: 10 6.103 1.919 0.473 0.442 0.667 0.556 CB 1.146 10 residues pruned to eliminate duplicates Z: 9 5.670 1.786 0.319 0.381 0.875 0.625 CB 1.104 5 residues pruned to eliminate duplicates Z: 9 6.779 1.873 0.564 0.324 0.750 0.500 CB 1.324 9 residues pruned to eliminate duplicates Z: 25 20.564 1.976 0.704 0.502 0.875 0.500 CB 1.422 28 residues pruned to eliminate duplicates Z: 6 2.812 1.894 -0.103 0.297 0.800 0.600 CB 1.162 6 residues pruned to eliminate duplicates Z: 66 61.357 2.328 1.093 0.515 0.908 0.569 CB 1.695 66 residues pruned to eliminate duplicates Z: 9 6.339 1.305 0.562 0.687 1.000 0.375 O 0.926 9 residues pruned to eliminate duplicates Z: 23 20.006 2.140 0.953 0.449 0.727 0.500 CB 1.478 55 residues pruned to eliminate duplicates Z: 13 6.119 1.619 0.368 0.260 0.833 0.417 CB 1.259 Z: 6 10.885 1.969 0.565 0.583 1.000 1.000 CA 1.457 6 residues pruned to eliminate duplicates Z: 12 20.179 1.751 1.080 0.838 1.000 0.727 CB 1.249 11 residues pruned to eliminate duplicates Z: 41 33.445 2.164 1.124 0.438 0.800 0.475 CB 1.534 41 residues pruned to eliminate duplicates Z: 6 2.335 1.644 0.765 0.329 0.600 0.600 CB 0.723 Z: 15 31.457 2.279 0.687 0.906 1.000 0.643 CB 1.555 Z: 43 41.665 2.382 0.814 0.533 0.905 0.619 CB 1.593 43 residues pruned to eliminate duplicates Z: 46 53.137 2.341 1.028 0.538 0.933 0.467 CB 1.721 51 residues pruned to eliminate duplicates Z: 17 8.490 1.959 0.499 0.173 0.812 0.250 CB 1.321 17 residues pruned to eliminate duplicates Z: 15 6.260 1.739 0.587 0.498 0.643 0.571 CB 0.945 Z: 14 25.265 2.292 0.478 0.887 1.000 0.846 CA 1.491 14 residues pruned to eliminate duplicates Z: 51 37.685 2.166 0.763 0.545 0.860 0.580 CB 1.553 51 residues pruned to eliminate duplicates Z: 23 26.420 2.265 0.876 0.438 0.818 0.682 CB 1.727 23 residues pruned to eliminate duplicates Z: 9 5.656 1.805 0.467 0.602 0.875 0.750 CB 0.783 Z: 7 6.987 1.908 0.574 0.582 0.833 0.500 CB 1.054 Z: 38 31.153 2.242 0.892 0.461 0.892 0.595 CB 1.409 38 residues pruned to eliminate duplicates Z: 14 7.489 1.848 0.714 0.239 0.615 0.538 CB 1.441 14 residues pruned to eliminate duplicates Z: 6 2.309 1.765 0.092 0.542 0.800 0.600 CB 0.643 6 residues pruned to eliminate duplicates Z: 16 4.689 1.362 0.623 0.425 0.667 0.400 CB 0.888 Z: 30 35.746 2.330 1.003 0.501 0.897 0.621 CB 1.586 30 residues pruned to eliminate duplicates Z: 71 51.429 2.364 0.979 0.454 0.814 0.529 CB 1.691 71 residues pruned to eliminate duplicates Z: 6 5.678 1.719 0.773 0.364 0.800 0.400 CA 1.206 6 residues pruned to eliminate duplicates Z: 9 13.535 2.133 0.809 0.424 1.000 0.875 CB 1.343 9 residues pruned to eliminate duplicates Z: 45 32.076 2.238 0.799 0.424 0.773 0.477 CB 1.682 45 residues pruned to eliminate duplicates Z: 7 3.381 1.309 0.816 0.321 0.667 0.333 N 1.061 Z: 27 38.142 2.368 1.091 0.550 0.962 0.538 CB 1.496 27 residues pruned to eliminate duplicates Z: 16 17.172 2.199 0.898 0.461 0.867 0.600 CB 1.276 16 residues pruned to eliminate duplicates Z: 9 6.789 1.984 1.021 0.625 0.875 0.625 CB 0.608 5 residues pruned to eliminate duplicates Z: 17 16.956 2.118 0.641 0.328 0.938 0.438 CB 1.571 17 residues pruned to eliminate duplicates Z: 8 3.360 1.933 0.711 0.338 0.714 0.429 CB 0.641 Z: 16 27.526 2.173 0.619 0.860 0.933 0.800 CA 1.592 16 residues pruned to eliminate duplicates Z: 35 33.465 2.198 0.755 0.553 0.912 0.529 CB 1.550 35 residues pruned to eliminate duplicates Z: 8 9.326 1.632 0.733 0.666 1.000 0.571 CB 1.069 Z: 20 29.739 2.268 0.908 0.556 0.842 0.421 CA 1.773 20 residues pruned to eliminate duplicates Z: 19 22.347 2.169 0.901 0.524 0.833 0.556 CB 1.496 14 residues pruned to eliminate duplicates Z: 71 64.673 2.350 1.108 0.519 0.886 0.529 CB 1.728 71 residues pruned to eliminate duplicates Z: 11 22.127 1.794 1.270 0.859 1.000 0.600 CB 1.265 11 residues pruned to eliminate duplicates Z: 17 12.650 2.287 0.566 0.395 0.812 0.500 CB 1.215 20 residues pruned to eliminate duplicates Z: 14 2.976 1.622 0.691 0.202 0.692 0.308 CB 0.619 Z: 17 14.253 2.046 0.570 0.490 0.875 0.562 CB 1.280 17 residues pruned to eliminate duplicates Z: 20 33.734 2.246 1.108 0.669 0.842 0.737 CB 1.660 20 residues pruned to eliminate duplicates Z: 11 8.898 1.987 0.349 0.450 0.800 0.500 CA 1.381 11 residues pruned to eliminate duplicates Z: 13 11.176 1.935 0.790 0.440 0.833 0.500 CB 1.189 13 residues pruned to eliminate duplicates Z: 10 8.939 1.875 0.610 0.344 0.889 0.333 CB 1.316 10 residues pruned to eliminate duplicates Z: 10 5.253 1.860 0.317 0.391 0.667 0.556 CB 1.204 10 residues pruned to eliminate duplicates Z: 6 6.898 2.073 0.367 0.501 0.800 0.600 CB 1.359 8 residues pruned to eliminate duplicates Z: 6 3.189 1.142 0.331 0.727 1.000 0.800 CB 0.764 Z: 75 66.453 2.393 1.040 0.483 0.919 0.541 CB 1.752 75 residues pruned to eliminate duplicates Z: 10 4.441 1.430 0.522 0.374 0.667 0.333 N 1.167 Z: 17 34.578 2.299 0.912 0.839 0.812 0.625 CB 1.808 17 residues pruned to eliminate duplicates Z: 36 38.770 2.270 0.977 0.576 0.857 0.486 CB 1.583 32 residues pruned to eliminate duplicates Z: 11 5.327 1.759 0.122 0.522 0.700 0.500 CB 1.192 11 residues pruned to eliminate duplicates Z: 80 55.369 2.281 0.952 0.490 0.886 0.633 CB 1.594 80 residues pruned to eliminate duplicates Z: 35 28.647 2.147 1.021 0.375 0.853 0.353 CB 1.517 35 residues pruned to eliminate duplicates Z: 71 53.774 2.314 0.931 0.490 0.900 0.543 CB 1.614 70 residues pruned to eliminate duplicates Z: 7 8.701 1.597 0.842 0.640 0.833 0.333 N 1.270 Z: 23 16.806 2.140 0.337 0.450 0.955 0.545 CB 1.382 22 residues pruned to eliminate duplicates Z: 14 8.699 1.785 0.812 0.231 0.769 0.615 CB 1.327 14 residues pruned to eliminate duplicates Z: 7 3.121 1.181 0.389 0.763 1.000 0.667 CB 0.615 Z: 23 19.210 2.330 0.446 0.383 0.909 0.636 CB 1.514 23 residues pruned to eliminate duplicates Z: 6 7.568 1.455 0.673 0.844 1.000 0.800 CA 1.034 6 residues pruned to eliminate duplicates Z: 14 11.144 1.796 0.329 0.744 0.923 0.615 CB 1.128 14 residues pruned to eliminate duplicates Z: 13 30.769 2.300 0.809 0.894 1.000 0.833 CA 1.531 13 residues pruned to eliminate duplicates Z: 6 3.704 1.838 0.244 0.516 0.800 0.600 CB 0.891 6 0.783 1.386 -0.014 0.250 0.800 0.400 CB 0.428 ? Z: 7 6.959 1.802 0.573 0.518 0.833 0.833 CB 1.182 Z: 7 13.134 1.925 0.555 0.767 1.000 0.500 CB 1.414 Z: 41 24.448 2.148 0.641 0.417 0.875 0.525 CB 1.367 26 residues pruned to eliminate duplicates Z: 10 8.269 1.638 1.144 0.380 0.889 0.667 CB 1.003 6 residues pruned to eliminate duplicates Z: 10 8.446 1.775 0.767 0.289 0.778 0.444 N 1.463 10 residues pruned to eliminate duplicates Z: 42 27.758 2.271 0.658 0.468 0.854 0.610 CB 1.393 50 residues pruned to eliminate duplicates Z: 11 4.183 1.470 0.589 0.318 0.800 0.300 CB 0.865 Z: 48 35.620 2.132 1.043 0.493 0.766 0.426 CB 1.568 48 residues pruned to eliminate duplicates Z: 8 4.458 1.648 0.361 0.450 0.714 0.429 C 1.108 Z: 7 10.694 1.896 0.699 0.820 0.833 0.667 CB 1.232 Z: 20 16.418 1.879 0.332 0.507 0.947 0.526 CB 1.578 20 residues pruned to eliminate duplicates Z: 7 5.138 1.783 0.856 0.195 1.000 0.667 CA 0.912 Z: 23 14.569 1.797 0.698 0.446 0.818 0.455 CB 1.315 35 residues pruned to eliminate duplicates Z: 64 53.410 2.269 0.951 0.535 0.921 0.635 CB 1.595 64 residues pruned to eliminate duplicates Z: 7 3.648 1.166 0.289 0.700 0.833 0.333 C 0.991 Z: 39 35.427 2.078 0.824 0.529 0.947 0.553 CB 1.555 39 residues pruned to eliminate duplicates Z: 9 11.332 1.798 0.900 0.715 0.750 0.375 CB 1.288 6 residues pruned to eliminate duplicates Z: 6 7.744 1.691 0.541 0.593 1.000 0.600 CA 1.216 Z: 15 14.358 1.904 0.665 0.478 0.857 0.571 CB 1.445 16 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 7 5.445 1.710 0.601 0.571 0.667 0.333 CB 1.137 7 residues pruned to eliminate duplicates Z: 17 14.882 2.180 0.648 0.281 0.812 0.500 CB 1.631 17 residues pruned to eliminate duplicates Z: 58 31.411 2.071 0.704 0.404 0.877 0.509 CB 1.487 86 residues pruned to eliminate duplicates Z: 27 19.283 2.026 0.761 0.407 0.846 0.385 CB 1.380 Z: 6 12.325 1.807 1.344 0.465 1.000 0.800 CB 1.349 6 residues pruned to eliminate duplicates Z: 19 14.279 2.049 0.637 0.307 0.833 0.500 CB 1.493 19 residues pruned to eliminate duplicates Z: 18 15.425 2.118 0.688 0.310 0.941 0.529 CB 1.374 18 residues pruned to eliminate duplicates Z: 7 6.158 2.092 0.561 0.341 1.000 0.500 CA 0.915 7 residues pruned to eliminate duplicates Z: 16 17.394 2.272 0.651 0.307 0.933 0.467 CB 1.590 16 residues pruned to eliminate duplicates Z: 6 9.398 2.081 0.184 0.610 1.000 0.600 CA 1.537 6 residues pruned to eliminate duplicates Z: 28 24.104 2.078 0.835 0.399 0.926 0.519 CB 1.461 26 residues pruned to eliminate duplicates Z: 7 10.332 1.670 1.129 0.754 1.000 0.667 CB 0.946 7 residues pruned to eliminate duplicates Z: 14 25.219 1.996 1.111 0.603 0.923 0.615 CB 1.630 12 residues pruned to eliminate duplicates Z: 11 28.970 1.920 1.284 0.899 1.000 0.700 CA 1.493 11 residues pruned to eliminate duplicates Z: 11 26.403 1.900 1.124 0.896 1.000 0.700 CA 1.482 11 residues pruned to eliminate duplicates Z: 16 26.046 2.012 0.808 0.670 1.000 0.733 CA 1.581 14 residues pruned to eliminate duplicates Z: 6 5.378 1.478 0.650 0.325 1.000 0.200 CB 1.196 6 residues pruned to eliminate duplicates Z: 90 44.515 2.281 0.712 0.420 0.854 0.562 CB 1.539 124 residues pruned to eliminate duplicates Z: 20 12.744 2.051 0.613 0.342 0.842 0.579 CB 1.245 20 residues pruned to eliminate duplicates Z: 14 18.753 2.328 0.980 0.432 0.923 0.538 CB 1.311 14 residues pruned to eliminate duplicates Z: 39 29.077 2.199 0.744 0.446 0.868 0.684 CB 1.497 39 residues pruned to eliminate duplicates Z: 12 10.812 2.034 0.389 0.413 1.000 0.818 CB 1.264 12 residues pruned to eliminate duplicates Z: 20 12.306 2.080 0.601 0.400 0.789 0.474 CB 1.193 20 residues pruned to eliminate duplicates Z: 6 4.275 1.704 0.565 0.276 0.800 0.200 CA 1.154 6 residues pruned to eliminate duplicates Z: 19 14.539 2.237 0.527 0.426 0.833 0.444 CB 1.299 19 residues pruned to eliminate duplicates Z: 39 36.709 2.222 0.946 0.453 0.921 0.526 CB 1.570 39 residues pruned to eliminate duplicates Z: 60 40.967 2.282 0.759 0.505 0.881 0.644 CB 1.501 60 residues pruned to eliminate duplicates Z: 37 37.357 2.266 0.890 0.496 0.917 0.694 CB 1.592 37 residues pruned to eliminate duplicates Z: 46 33.760 2.200 0.848 0.383 0.867 0.489 CB 1.617 46 residues pruned to eliminate duplicates Z: 24 35.964 2.335 1.009 0.444 0.913 0.609 CB 1.856 24 residues pruned to eliminate duplicates Z: 25 35.920 2.345 1.015 0.419 0.875 0.500 CB 1.929 25 residues pruned to eliminate duplicates Z: 44 33.128 2.298 0.934 0.398 0.814 0.465 CB 1.556 44 residues pruned to eliminate duplicates Z: 43 32.287 2.282 0.785 0.407 0.881 0.524 CB 1.530 43 residues pruned to eliminate duplicates Z: 25 32.191 2.364 1.020 0.396 0.875 0.417 CB 1.755 25 residues pruned to eliminate duplicates Z: 71 50.156 2.359 0.846 0.441 0.886 0.543 CB 1.652 71 residues pruned to eliminate duplicates Z: 21 32.888 2.315 1.254 0.438 0.850 0.450 CB 1.767 21 residues pruned to eliminate duplicates Z: 40 31.077 2.274 0.871 0.435 0.872 0.615 CB 1.434 40 residues pruned to eliminate duplicates Z: 21 31.833 2.303 1.105 0.449 0.850 0.450 CB 1.820 21 residues pruned to eliminate duplicates Z: 22 31.305 2.340 0.987 0.427 0.857 0.429 CB 1.850 22 residues pruned to eliminate duplicates Z: 27 30.448 2.303 0.887 0.394 0.846 0.462 CA 1.815 27 residues pruned to eliminate duplicates Z: 22 30.730 2.356 0.979 0.418 0.857 0.381 CB 1.827 22 residues pruned to eliminate duplicates Z: 42 32.902 2.266 0.761 0.411 0.878 0.561 CB 1.610 42 residues pruned to eliminate duplicates Z: 109 61.860 2.319 0.908 0.472 0.880 0.519 CB 1.574 109 residues pruned to eliminate duplicates Z: 41 25.707 2.219 0.726 0.411 0.750 0.475 CB 1.553 41 residues pruned to eliminate duplicates Z: 27 26.555 2.284 0.910 0.391 0.808 0.385 CB 1.658 27 residues pruned to eliminate duplicates Z: 13 8.303 2.215 0.176 0.240 0.750 0.417 CB 1.657 13 residues pruned to eliminate duplicates Z: 8 5.923 2.273 0.023 0.325 0.714 0.429 CA 1.633 8 residues pruned to eliminate duplicates Z: 41 38.128 2.314 0.840 0.522 0.800 0.450 CB 1.732 41 residues pruned to eliminate duplicates Z: 26 25.579 2.364 0.901 0.376 0.760 0.480 CB 1.710 26 residues pruned to eliminate duplicates Z: 47 43.395 2.321 0.963 0.460 0.891 0.609 CB 1.641 47 residues pruned to eliminate duplicates Z: 45 40.182 2.328 0.852 0.518 0.864 0.455 CB 1.599 45 residues pruned to eliminate duplicates Z: 39 37.049 2.319 0.733 0.520 0.895 0.684 CB 1.639 39 residues pruned to eliminate duplicates Z: 100 51.965 2.290 0.875 0.447 0.848 0.576 CB 1.513 100 residues pruned to eliminate duplicates Z: 42 43.608 2.392 0.942 0.500 0.854 0.488 CB 1.717 42 residues pruned to eliminate duplicates Z: 34 31.880 2.209 0.855 0.565 0.909 0.545 CB 1.399 34 residues pruned to eliminate duplicates Z: 22 21.252 2.189 0.769 0.646 0.762 0.476 CB 1.372 22 residues pruned to eliminate duplicates Z: 92 51.541 2.239 0.853 0.459 0.846 0.473 CB 1.606 92 residues pruned to eliminate duplicates Z: 86 53.720 2.249 0.915 0.488 0.882 0.506 CB 1.552 86 residues pruned to eliminate duplicates Z: 44 42.508 2.310 0.985 0.564 0.837 0.488 CB 1.587 44 residues pruned to eliminate duplicates Z: 45 41.131 2.349 0.917 0.548 0.841 0.500 CB 1.563 45 residues pruned to eliminate duplicates Z: 38 39.604 2.294 0.830 0.525 0.892 0.541 CB 1.697 38 residues pruned to eliminate duplicates Z: 45 40.153 2.286 0.928 0.494 0.864 0.386 CB 1.601 45 residues pruned to eliminate duplicates Z: 38 54.243 2.388 1.142 0.544 0.973 0.486 CB 1.717 38 residues pruned to eliminate duplicates Z: 34 39.319 2.291 0.890 0.528 0.909 0.606 CB 1.691 34 residues pruned to eliminate duplicates Z: 76 57.657 2.356 1.013 0.465 0.893 0.440 CB 1.629 76 residues pruned to eliminate duplicates Z: 79 51.214 2.340 1.006 0.438 0.846 0.487 CB 1.556 79 residues pruned to eliminate duplicates Z: 82 49.735 2.294 0.900 0.450 0.852 0.519 CB 1.567 82 residues pruned to eliminate duplicates Z: 61 48.882 2.307 0.980 0.448 0.850 0.517 CB 1.714 61 residues pruned to eliminate duplicates Z: 74 43.502 2.293 0.842 0.389 0.836 0.507 CB 1.622 74 residues pruned to eliminate duplicates Z: 45 45.347 2.399 0.971 0.546 0.841 0.500 CB 1.644 45 residues pruned to eliminate duplicates Z: 56 47.216 2.353 0.937 0.490 0.891 0.509 CB 1.583 63 residues pruned to eliminate duplicates Z: 43 46.295 2.343 0.953 0.495 0.976 0.619 CB 1.607 43 residues pruned to eliminate duplicates Z: 42 54.796 2.338 1.039 0.542 0.976 0.585 CB 1.766 42 residues pruned to eliminate duplicates Z: 56 47.189 2.350 0.964 0.471 0.855 0.509 CB 1.661 56 residues pruned to eliminate duplicates Z: 79 60.550 2.338 0.989 0.489 0.949 0.590 CB 1.573 79 residues pruned to eliminate duplicates Z: 79 51.744 2.358 0.971 0.477 0.821 0.564 CB 1.572 79 residues pruned to eliminate duplicates Z: 33 36.904 2.375 1.012 0.410 0.844 0.531 CB 1.777 7 residues pruned to eliminate duplicates Z: 6 3.368 1.701 0.555 0.100 1.000 0.600 CA 0.949 6 residues pruned to eliminate duplicates Z: 28 27.996 2.242 1.103 0.365 0.815 0.444 CB 1.620 28 residues pruned to eliminate duplicates Z: 21 34.609 2.471 1.015 0.411 0.900 0.550 CB 1.895 21 residues pruned to eliminate duplicates Z: 35 39.757 2.321 1.196 0.450 0.853 0.500 CB 1.650 68 residues pruned to eliminate duplicates Z: 42 32.125 2.199 0.854 0.397 0.854 0.415 CB 1.606 10 residues pruned to eliminate duplicates Z: 8 12.888 2.008 0.605 0.707 1.000 0.286 CA 1.252 8 residues pruned to eliminate duplicates Z: 60 53.894 2.262 0.938 0.511 0.949 0.441 CB 1.667 102 residues pruned to eliminate duplicates Z: 61 47.421 2.353 0.945 0.466 0.867 0.533 CB 1.597 61 residues pruned to eliminate duplicates Z: 66 41.949 2.313 0.854 0.396 0.831 0.492 CB 1.630 66 residues pruned to eliminate duplicates Z: 57 44.280 2.302 0.877 0.459 0.875 0.482 CB 1.633 57 residues pruned to eliminate duplicates Z: 11 16.396 2.252 0.925 0.534 0.700 0.500 CB 1.653 Z: 70 49.532 2.255 0.934 0.483 0.884 0.580 CB 1.572 81 residues pruned to eliminate duplicates Z: 16 19.648 2.229 0.611 0.519 0.933 0.467 CB 1.485 Z: 11 14.966 2.243 0.609 0.617 0.800 0.300 CB 1.467 11 residues pruned to eliminate duplicates Z: 18 15.000 2.019 0.953 0.354 0.824 0.588 CA 1.312 25 residues pruned to eliminate duplicates Z: 7 9.135 1.603 0.669 0.787 1.000 0.333 CA 1.083 7 residues pruned to eliminate duplicates Z: 22 23.600 2.353 0.798 0.348 0.857 0.476 CA 1.674 19 residues pruned to eliminate duplicates Z: 8 8.494 1.697 0.508 0.508 1.000 0.286 N 1.244 10 residues pruned to eliminate duplicates Z: 7 3.957 1.859 0.446 0.397 0.500 0.167 CA 1.340 7 residues pruned to eliminate duplicates Z: 42 44.204 2.210 1.080 0.545 0.854 0.585 CA 1.683 42 residues pruned to eliminate duplicates Z: 25 31.758 2.161 1.106 0.607 0.958 0.625 CB 1.342 25 residues pruned to eliminate duplicates Z: 36 44.144 2.313 0.935 0.570 0.914 0.657 CB 1.704 36 residues pruned to eliminate duplicates 7 1.973 1.549 -0.026 0.265 0.833 0.500 CB 0.837 ? Z: 6 8.799 1.527 1.416 0.372 1.000 0.400 CA 1.223 Z: 6 4.618 1.848 0.633 0.564 0.600 0.200 N 1.072 6 residues pruned to eliminate duplicates Z: 19 20.560 2.225 0.842 0.443 0.778 0.444 CB 1.612 25 residues pruned to eliminate duplicates Z: 38 37.566 2.186 0.870 0.607 0.892 0.649 CB 1.531 38 residues pruned to eliminate duplicates Z: 17 20.943 2.099 1.017 0.491 0.812 0.562 CB 1.536 17 residues pruned to eliminate duplicates Z: 6 8.934 2.092 1.032 0.384 0.800 0.600 N 1.329 6 residues pruned to eliminate duplicates Z: 15 13.982 2.109 1.121 0.277 0.643 0.429 N 1.674 15 residues pruned to eliminate duplicates Z: 26 18.919 2.122 0.786 0.323 0.800 0.520 CB 1.516 26 residues pruned to eliminate duplicates Z: 30 24.558 2.206 0.735 0.431 0.793 0.552 CA 1.614 30 residues pruned to eliminate duplicates Z: 16 16.622 2.256 0.493 0.427 0.800 0.667 CA 1.719 Z: 17 17.193 2.223 0.541 0.407 0.812 0.438 CB 1.702 16 residues pruned to eliminate duplicates Z: 29 24.873 2.270 0.602 0.476 0.786 0.500 CB 1.685 46 residues pruned to eliminate duplicates Z: 19 17.339 2.137 0.689 0.404 0.778 0.556 CB 1.610 Z: 17 15.913 2.146 0.635 0.419 0.812 0.500 CB 1.519 17 residues pruned to eliminate duplicates Z: 23 18.516 2.060 0.625 0.412 0.818 0.455 CB 1.581 19 residues pruned to eliminate duplicates Z: 6 6.191 1.611 0.607 0.412 1.000 0.800 N 1.173 6 residues pruned to eliminate duplicates Z: 52 42.248 2.244 0.857 0.527 0.902 0.510 CB 1.532 75 residues pruned to eliminate duplicates Z: 28 17.157 2.202 0.633 0.344 0.704 0.370 CB 1.546 28 residues pruned to eliminate duplicates Z: 60 40.410 2.338 0.747 0.467 0.814 0.525 CB 1.636 60 residues pruned to eliminate duplicates Z: 29 21.175 2.233 0.567 0.441 0.786 0.464 CA 1.547 29 residues pruned to eliminate duplicates Z: 15 12.187 2.249 0.590 0.332 0.714 0.429 CB 1.532 Z: 61 44.264 2.340 0.934 0.469 0.833 0.517 CB 1.564 76 residues pruned to eliminate duplicates Z: 20 19.047 2.244 0.624 0.358 0.842 0.474 CB 1.659 6 1.114 1.790 -0.367 0.443 0.400 0.400 O 1.166 ? 6 1.932 1.618 0.345 0.129 0.600 0.200 O 1.052 ? Z: 6 4.165 2.257 -0.008 0.372 0.600 0.000 CA 1.589 Z: 9 10.553 2.010 0.727 0.483 0.750 0.125 CB 1.457 15 residues pruned to eliminate duplicates Z: 20 25.196 2.353 0.795 0.536 0.789 0.368 CB 1.674 40 residues pruned to eliminate duplicates Z: 50 29.149 2.259 0.728 0.427 0.816 0.531 CB 1.409 50 residues pruned to eliminate duplicates Z: 20 15.150 2.184 0.681 0.436 0.789 0.421 CB 1.281 20 residues pruned to eliminate duplicates Z: 11 26.497 2.278 1.053 0.712 1.000 0.600 CA 1.479 11 residues pruned to eliminate duplicates Z: 44 38.734 2.315 0.775 0.491 0.907 0.628 CB 1.599 44 residues pruned to eliminate duplicates Z: 18 21.813 2.342 0.925 0.480 0.824 0.353 CA 1.455 18 residues pruned to eliminate duplicates Z: 38 35.946 2.303 0.983 0.504 0.865 0.324 CB 1.490 29 residues pruned to eliminate duplicates Z: 11 26.826 2.009 1.337 0.870 1.000 0.900 CA 1.319 12 residues pruned to eliminate duplicates Z: 11 29.442 2.012 1.521 0.907 1.000 0.600 CA 1.304 11 residues pruned to eliminate duplicates Z: 24 19.487 2.169 0.995 0.417 0.783 0.217 CB 1.308 24 residues pruned to eliminate duplicates Z: 15 18.739 1.959 1.248 0.587 0.857 0.286 CB 1.221 14 residues pruned to eliminate duplicates Z: 17 28.755 2.214 0.997 0.688 0.938 0.812 CA 1.460 17 residues pruned to eliminate duplicates Z: 30 38.996 2.434 0.972 0.510 0.931 0.690 CB 1.605 30 residues pruned to eliminate duplicates Z: 16 30.748 2.375 1.035 0.609 0.933 0.667 CB 1.587 16 residues pruned to eliminate duplicates Z: 47 30.381 2.302 0.726 0.410 0.804 0.565 CB 1.540 47 residues pruned to eliminate duplicates Z: 27 40.362 2.465 0.959 0.521 0.923 0.731 CB 1.740 27 residues pruned to eliminate duplicates Z: 13 42.375 2.491 1.506 0.760 0.917 0.833 CB 1.696 13 residues pruned to eliminate duplicates Z: 29 33.535 2.423 0.894 0.519 0.821 0.607 CB 1.650 29 residues pruned to eliminate duplicates Z: 27 39.420 2.457 1.051 0.524 0.923 0.577 CB 1.623 27 residues pruned to eliminate duplicates Z: 29 36.546 2.444 0.987 0.496 0.893 0.714 CB 1.600 29 residues pruned to eliminate duplicates Z: 36 31.944 2.270 0.938 0.469 0.829 0.600 CB 1.528 36 residues pruned to eliminate duplicates Z: 27 39.726 2.490 0.959 0.535 0.885 0.500 CB 1.744 27 residues pruned to eliminate duplicates Z: 30 29.693 2.364 0.901 0.493 0.828 0.552 CB 1.494 30 residues pruned to eliminate duplicates Z: 32 32.731 2.370 0.863 0.474 0.871 0.516 CB 1.569 32 residues pruned to eliminate duplicates Z: 8 14.764 2.347 0.521 0.450 1.000 0.714 CB 1.646 8 residues pruned to eliminate duplicates Z: 41 45.462 2.394 1.045 0.520 0.875 0.600 CB 1.646 41 residues pruned to eliminate duplicates Z: 28 31.812 2.362 0.792 0.397 0.889 0.519 CB 1.814 28 residues pruned to eliminate duplicates Z: 17 19.134 2.324 0.674 0.386 0.875 0.500 CB 1.586 17 residues pruned to eliminate duplicates Z: 40 43.026 2.336 0.956 0.499 0.897 0.590 CA 1.681 13 residues pruned to eliminate duplicates Z: 6 4.517 1.949 0.372 0.217 0.800 0.600 CA 1.317 6 residues pruned to eliminate duplicates Z: 16 22.907 2.390 0.797 0.343 0.933 0.600 CA 1.750 16 residues pruned to eliminate duplicates Z: 27 41.371 2.460 1.069 0.536 0.885 0.423 CB 1.740 27 residues pruned to eliminate duplicates Z: 28 32.281 2.310 0.961 0.387 0.926 0.481 CB 1.670 27 residues pruned to eliminate duplicates Z: 11 9.605 1.575 1.054 0.477 0.800 0.400 CB 1.201 11 residues pruned to eliminate duplicates Z: 17 21.147 2.306 0.732 0.378 0.938 0.625 CB 1.608 18 residues pruned to eliminate duplicates Z: 6 9.673 1.815 0.911 0.447 1.000 0.600 CA 1.317 6 residues pruned to eliminate duplicates Z: 90 56.697 2.311 0.846 0.499 0.876 0.461 CB 1.608 90 residues pruned to eliminate duplicates Z: 10 19.268 2.319 0.504 0.539 1.000 0.778 CA 1.773 11 residues pruned to eliminate duplicates Z: 23 17.956 2.133 0.650 0.421 0.864 0.591 CB 1.368 23 residues pruned to eliminate duplicates Z: 6 4.400 2.077 0.506 0.521 1.000 0.600 CB 0.616 6 residues pruned to eliminate duplicates Z: 20 11.881 2.026 0.506 0.326 0.895 0.316 CB 1.209 20 residues pruned to eliminate duplicates Z: 23 10.047 2.091 0.405 0.380 0.909 0.545 CB 0.912 23 residues pruned to eliminate duplicates Z: 24 13.358 2.114 0.538 0.359 0.870 0.609 CB 1.146 24 residues pruned to eliminate duplicates Z: 11 4.094 2.044 0.477 0.230 0.800 0.200 CB 0.735 11 residues pruned to eliminate duplicates Z: 48 26.011 2.170 0.594 0.371 0.830 0.489 CB 1.518 48 residues pruned to eliminate duplicates Z: 25 30.813 2.297 0.888 0.458 0.875 0.500 CB 1.730 25 residues pruned to eliminate duplicates Z: 25 29.505 2.172 0.956 0.523 0.917 0.542 CB 1.511 25 residues pruned to eliminate duplicates Z: 24 23.905 2.099 1.014 0.426 0.826 0.522 CB 1.542 24 residues pruned to eliminate duplicates Z: 30 26.944 2.245 0.940 0.375 0.793 0.483 CB 1.655 30 residues pruned to eliminate duplicates Z: 63 51.321 2.337 0.999 0.451 0.855 0.548 CB 1.716 63 residues pruned to eliminate duplicates Z: 30 29.540 2.194 1.148 0.412 0.862 0.552 CB 1.481 30 residues pruned to eliminate duplicates Z: 24 29.234 2.206 1.189 0.407 0.870 0.565 CB 1.601 24 residues pruned to eliminate duplicates Z: 26 30.547 2.192 1.137 0.475 0.880 0.600 CB 1.520 26 residues pruned to eliminate duplicates Z: 28 32.139 2.250 1.052 0.451 0.852 0.556 CB 1.654 28 residues pruned to eliminate duplicates Z: 40 27.764 2.211 0.691 0.441 0.897 0.564 CB 1.408 40 residues pruned to eliminate duplicates Z: 27 24.822 2.232 0.756 0.425 0.846 0.500 CB 1.586 27 residues pruned to eliminate duplicates Z: 24 27.120 2.236 0.970 0.426 0.870 0.522 CB 1.594 24 residues pruned to eliminate duplicates Z: 78 56.930 2.331 0.922 0.501 0.857 0.584 CB 1.687 78 residues pruned to eliminate duplicates Z: 28 30.220 2.248 0.887 0.486 0.889 0.630 CB 1.565 28 residues pruned to eliminate duplicates Z: 25 33.998 2.346 1.016 0.442 0.875 0.542 CB 1.780 25 residues pruned to eliminate duplicates Z: 75 57.934 2.371 1.016 0.469 0.865 0.486 CB 1.681 75 residues pruned to eliminate duplicates Z: 26 29.443 2.341 0.930 0.443 0.800 0.480 CB 1.728 26 residues pruned to eliminate duplicates Z: 31 25.920 2.269 0.777 0.448 0.800 0.467 CB 1.547 31 residues pruned to eliminate duplicates Z: 25 34.115 2.294 1.125 0.504 0.875 0.542 CB 1.626 25 residues pruned to eliminate duplicates Z: 77 55.611 2.368 1.032 0.491 0.803 0.539 CB 1.667 77 residues pruned to eliminate duplicates Z: 27 30.692 2.279 1.103 0.456 0.846 0.538 CB 1.553 27 residues pruned to eliminate duplicates Z: 90 64.225 2.377 0.977 0.491 0.865 0.539 CB 1.690 90 residues pruned to eliminate duplicates Z: 93 61.399 2.321 0.927 0.481 0.891 0.511 CB 1.637 93 residues pruned to eliminate duplicates Z: 58 48.524 2.355 0.923 0.490 0.877 0.474 CB 1.634 58 residues pruned to eliminate duplicates Z: 54 51.937 2.349 1.054 0.475 0.906 0.453 CB 1.675 54 residues pruned to eliminate duplicates Z: 40 41.538 2.337 0.884 0.545 0.846 0.641 CB 1.708 40 residues pruned to eliminate duplicates Z: 62 59.044 2.404 1.016 0.554 0.852 0.492 CB 1.736 62 residues pruned to eliminate duplicates Z: 56 62.398 2.374 1.092 0.556 0.909 0.582 CB 1.765 63 residues pruned to eliminate duplicates Z: 113 78.312 2.372 1.014 0.504 0.911 0.571 CB 1.693 113 residues pruned to eliminate duplicates Z: 91 75.012 2.375 1.094 0.536 0.889 0.556 CB 1.726 91 residues pruned to eliminate duplicates Z: 47 43.523 2.423 1.020 0.493 0.848 0.522 CB 1.557 47 residues pruned to eliminate duplicates Z: 79 59.205 2.377 0.879 0.483 0.897 0.513 CB 1.701 79 residues pruned to eliminate duplicates Z: 71 62.304 2.359 1.189 0.513 0.857 0.557 CB 1.661 71 residues pruned to eliminate duplicates Z: 62 49.524 2.343 0.966 0.488 0.852 0.574 CB 1.634 62 residues pruned to eliminate duplicates Z: 62 58.613 2.435 0.970 0.523 0.852 0.508 CB 1.794 62 residues pruned to eliminate duplicates Z: 70 53.851 2.318 1.079 0.466 0.870 0.594 CB 1.602 70 residues pruned to eliminate duplicates Z: 49 53.497 2.382 1.073 0.532 0.896 0.479 CB 1.690 49 residues pruned to eliminate duplicates Z: 65 65.439 2.389 1.086 0.538 0.891 0.516 CB 1.775 65 residues pruned to eliminate duplicates Z: 39 52.292 2.500 0.985 0.538 0.895 0.632 CB 1.840 39 residues pruned to eliminate duplicates Z: 56 43.460 2.360 0.942 0.442 0.818 0.582 CB 1.658 56 residues pruned to eliminate duplicates Z: 112 80.235 2.408 1.080 0.502 0.874 0.532 CB 1.736 112 residues pruned to eliminate duplicates Z: 61 52.743 2.384 0.981 0.464 0.900 0.467 CB 1.662 61 residues pruned to eliminate duplicates Z: 65 55.728 2.350 0.996 0.495 0.844 0.375 CB 1.768 65 residues pruned to eliminate duplicates Z: 90 59.409 2.335 0.988 0.438 0.820 0.551 CB 1.763 90 residues pruned to eliminate duplicates Z: 40 48.460 2.362 1.121 0.516 0.949 0.538 CB 1.607 40 residues pruned to eliminate duplicates Z: 51 52.196 2.390 1.047 0.536 0.860 0.480 CB 1.694 51 residues pruned to eliminate duplicates Z: 106 79.693 2.381 0.983 0.536 0.905 0.571 CB 1.758 106 residues pruned to eliminate duplicates Z: 86 71.487 2.390 1.099 0.493 0.882 0.541 CB 1.765 86 residues pruned to eliminate duplicates Z: 46 58.386 2.486 1.057 0.532 0.911 0.467 CB 1.810 46 residues pruned to eliminate duplicates Z: 74 56.598 2.379 1.047 0.476 0.836 0.548 CB 1.668 74 residues pruned to eliminate duplicates Z: 61 53.670 2.359 0.982 0.469 0.883 0.550 CB 1.732 61 residues pruned to eliminate duplicates Z: 38 52.958 2.443 1.187 0.562 0.865 0.595 CB 1.774 38 residues pruned to eliminate duplicates Z: 36 56.348 2.456 1.222 0.558 0.943 0.571 CB 1.750 36 residues pruned to eliminate duplicates Z: 88 60.768 2.349 0.988 0.457 0.851 0.425 CB 1.714 88 residues pruned to eliminate duplicates Z: 97 67.611 2.326 1.052 0.472 0.875 0.510 CB 1.700 97 residues pruned to eliminate duplicates Z: 91 65.854 2.328 0.989 0.473 0.911 0.500 CB 1.690 91 residues pruned to eliminate duplicates Z: 90 71.127 2.383 1.057 0.490 0.899 0.539 CB 1.728 90 residues pruned to eliminate duplicates Z: 69 64.988 2.411 1.142 0.495 0.882 0.515 CB 1.739 69 residues pruned to eliminate duplicates Z: 118 79.071 2.341 1.065 0.487 0.923 0.538 CB 1.661 118 residues pruned to eliminate duplicates Z: 63 55.266 2.369 0.991 0.513 0.855 0.468 CB 1.718 63 residues pruned to eliminate duplicates Z: 76 56.607 2.328 1.025 0.472 0.840 0.520 CB 1.697 76 residues pruned to eliminate duplicates Z: 64 62.646 2.421 1.095 0.522 0.889 0.460 CB 1.713 64 residues pruned to eliminate duplicates Z: 87 68.992 2.393 1.101 0.501 0.860 0.488 CB 1.719 87 residues pruned to eliminate duplicates Z: 90 73.312 2.404 1.033 0.519 0.910 0.528 CB 1.714 90 residues pruned to eliminate duplicates Z: 90 76.612 2.391 0.973 0.560 0.921 0.618 CB 1.764 90 residues pruned to eliminate duplicates Z: 73 65.615 2.368 1.002 0.502 0.931 0.556 CB 1.750 73 residues pruned to eliminate duplicates Z: 106 71.034 2.346 1.076 0.479 0.867 0.524 CB 1.678 106 residues pruned to eliminate duplicates Z: 88 72.841 2.384 1.067 0.509 0.931 0.540 CB 1.687 88 residues pruned to eliminate duplicates Z: 84 77.079 2.437 1.085 0.548 0.892 0.566 CB 1.781 84 residues pruned to eliminate duplicates Z: 92 68.523 2.366 1.044 0.498 0.901 0.582 CB 1.652 92 residues pruned to eliminate duplicates Z: 80 58.907 2.357 1.023 0.479 0.848 0.481 CB 1.673 80 residues pruned to eliminate duplicates Z: 22 27.810 2.244 0.985 0.503 0.857 0.524 CB 1.584 22 residues pruned to eliminate duplicates Z: 51 54.760 2.321 1.067 0.540 0.880 0.660 CA 1.764 51 residues pruned to eliminate duplicates Z: 67 57.914 2.379 1.048 0.528 0.864 0.424 CB 1.648 67 residues pruned to eliminate duplicates Z: 69 63.973 2.430 1.100 0.507 0.868 0.485 CB 1.739 69 residues pruned to eliminate duplicates Z: 72 68.869 2.397 1.245 0.510 0.859 0.507 CB 1.750 72 residues pruned to eliminate duplicates Z: 29 38.710 2.313 1.076 0.521 0.857 0.464 CA 1.741 29 residues pruned to eliminate duplicates Z: 70 72.267 2.374 1.096 0.546 0.928 0.551 CB 1.802 70 residues pruned to eliminate duplicates Z: 86 74.181 2.404 1.018 0.500 0.918 0.565 CB 1.806 86 residues pruned to eliminate duplicates Z: 118 79.143 2.357 0.966 0.508 0.897 0.556 CB 1.746 118 residues pruned to eliminate duplicates Z: 48 46.211 2.344 1.015 0.447 0.851 0.447 CB 1.770 48 residues pruned to eliminate duplicates Z: 70 64.412 2.399 1.215 0.477 0.870 0.478 CB 1.718 70 residues pruned to eliminate duplicates Z: 109 75.421 2.374 1.048 0.520 0.907 0.583 CB 1.613 109 residues pruned to eliminate duplicates Z: 110 81.107 2.397 1.072 0.529 0.890 0.541 CB 1.708 110 residues pruned to eliminate duplicates Z: 86 82.755 2.404 1.197 0.551 0.906 0.671 CB 1.786 86 residues pruned to eliminate duplicates Z: 87 85.191 2.455 1.131 0.545 0.942 0.535 CB 1.784 87 residues pruned to eliminate duplicates Z: 92 82.728 2.387 1.050 0.565 0.956 0.604 CB 1.741 92 residues pruned to eliminate duplicates Z: 82 77.473 2.417 1.004 0.567 0.914 0.580 CB 1.823 82 residues pruned to eliminate duplicates Z: 123 72.292 2.338 0.926 0.478 0.893 0.590 CB 1.663 123 residues pruned to eliminate duplicates Z: 107 82.465 2.384 1.107 0.519 0.896 0.613 CB 1.747 107 residues pruned to eliminate duplicates Z: 110 89.800 2.405 1.124 0.545 0.927 0.560 CB 1.738 110 residues pruned to eliminate duplicates Z: 91 80.814 2.411 1.147 0.552 0.911 0.578 CB 1.717 91 residues pruned to eliminate duplicates Z: 29 42.136 2.347 1.131 0.545 0.857 0.607 CB 1.777 29 residues pruned to eliminate duplicates Z: 35 37.877 2.297 0.851 0.518 0.912 0.559 CB 1.646 35 residues pruned to eliminate duplicates Z: 45 57.130 2.334 1.086 0.575 0.955 0.614 CA 1.724 45 residues pruned to eliminate duplicates Z: 30 42.953 2.369 0.956 0.577 0.931 0.621 CB 1.716 30 residues pruned to eliminate duplicates Z: 43 56.210 2.346 1.110 0.624 0.905 0.690 CB 1.722 43 residues pruned to eliminate duplicates Z: 113 81.665 2.403 1.118 0.518 0.884 0.518 CB 1.685 113 residues pruned to eliminate duplicates Z: 26 40.594 2.344 1.045 0.595 0.880 0.560 CB 1.758 26 residues pruned to eliminate duplicates Z: 127 87.584 2.367 1.060 0.532 0.905 0.603 CB 1.714 148 residues pruned to eliminate duplicates Z: 6 5.479 2.028 0.542 0.326 0.800 0.400 CB 1.185 6 residues pruned to eliminate duplicates Z: 31 28.646 2.209 0.720 0.504 0.867 0.500 CB 1.582 18 residues pruned to eliminate duplicates Z: 7 4.505 1.440 0.741 0.365 1.000 0.333 CB 0.849 7 residues pruned to eliminate duplicates Z: 20 28.333 2.247 0.860 0.517 0.947 0.368 CB 1.615 20 residues pruned to eliminate duplicates Z: 34 28.676 2.168 0.787 0.441 0.818 0.485 CB 1.674 33 residues pruned to eliminate duplicates Z: 6 5.579 1.750 0.780 0.266 1.000 0.600 CA 1.046 6 residues pruned to eliminate duplicates Z: 19 23.651 2.217 0.765 0.581 0.889 0.611 CB 1.483 19 residues pruned to eliminate duplicates Z: 19 26.533 2.210 0.933 0.585 0.833 0.444 CB 1.620 19 residues pruned to eliminate duplicates Z: 10 24.589 2.427 0.909 0.704 0.778 0.556 CB 1.888 10 residues pruned to eliminate duplicates Z: 20 21.699 2.160 0.825 0.527 0.789 0.474 CB 1.557 20 residues pruned to eliminate duplicates Z: 27 25.860 2.214 0.718 0.512 0.808 0.423 CB 1.631 25 residues pruned to eliminate duplicates Z: 7 6.076 2.021 0.503 0.413 0.667 0.500 CA 1.342 7 residues pruned to eliminate duplicates Z: 35 22.772 2.097 0.587 0.394 0.853 0.500 CB 1.539 35 residues pruned to eliminate duplicates Z: 82 62.242 2.343 0.936 0.506 0.938 0.556 CB 1.616 82 residues pruned to eliminate duplicates Z: 32 25.115 2.198 0.737 0.448 0.806 0.581 CB 1.546 32 residues pruned to eliminate duplicates Z: 30 27.796 2.253 0.721 0.510 0.828 0.621 CB 1.593 30 residues pruned to eliminate duplicates Z: 97 76.536 2.353 1.067 0.540 0.917 0.562 CB 1.685 97 residues pruned to eliminate duplicates Z: 30 28.991 2.255 0.683 0.478 0.897 0.483 CB 1.617 30 residues pruned to eliminate duplicates Z: 34 22.323 2.176 0.495 0.390 0.848 0.455 CB 1.583 34 residues pruned to eliminate duplicates Z: 33 29.342 2.224 0.754 0.462 0.875 0.531 CB 1.580 33 residues pruned to eliminate duplicates Z: 40 35.908 2.299 0.830 0.450 0.923 0.590 CB 1.558 36 residues pruned to eliminate duplicates Z: 6 11.070 1.835 1.023 0.406 1.000 0.800 CB 1.472 6 residues pruned to eliminate duplicates Z: 42 26.895 2.206 0.887 0.370 0.829 0.488 CB 1.399 42 residues pruned to eliminate duplicates Z: 16 19.320 2.136 0.715 0.485 0.933 0.533 CB 1.481 16 residues pruned to eliminate duplicates Z: 22 16.462 2.111 0.571 0.356 0.810 0.238 CB 1.563 22 residues pruned to eliminate duplicates Z: 27 15.410 2.096 0.766 0.275 0.846 0.346 CB 1.245 27 residues pruned to eliminate duplicates Z: 20 16.768 2.162 0.711 0.360 0.789 0.368 CB 1.532 20 residues pruned to eliminate duplicates Z: 7 16.954 2.447 1.015 0.469 0.833 0.500 CA 1.739 7 residues pruned to eliminate duplicates Z: 7 15.592 2.238 0.777 0.633 0.833 0.333 CA 1.696 7 residues pruned to eliminate duplicates Z: 17 14.585 2.226 0.644 0.397 0.875 0.500 CB 1.269 17 residues pruned to eliminate duplicates Z: 7 16.279 2.376 0.809 0.609 0.833 0.500 CB 1.673 7 residues pruned to eliminate duplicates Z: 7 4.027 1.766 0.323 0.483 0.667 0.500 CB 1.074 Z: 6 4.219 1.831 0.143 0.349 0.800 0.800 CB 1.328 6 residues pruned to eliminate duplicates Z: 45 46.084 2.444 0.896 0.521 0.909 0.636 CB 1.616 45 residues pruned to eliminate duplicates Z: 45 43.624 2.414 0.843 0.505 0.909 0.636 CB 1.617 45 residues pruned to eliminate duplicates Z: 45 36.351 2.412 0.679 0.451 0.841 0.523 CA 1.693 45 residues pruned to eliminate duplicates Z: 47 42.567 2.412 0.856 0.482 0.891 0.587 CB 1.603 47 residues pruned to eliminate duplicates Z: 15 25.101 2.232 1.118 0.554 0.786 0.429 CA 1.713 15 residues pruned to eliminate duplicates Z: 27 50.908 2.455 1.129 0.641 0.962 0.577 CB 1.741 37 residues pruned to eliminate duplicates Z: 47 41.914 2.388 0.804 0.498 0.891 0.696 CB 1.613 47 residues pruned to eliminate duplicates Z: 44 46.424 2.461 0.862 0.505 0.930 0.535 CB 1.651 44 residues pruned to eliminate duplicates Z: 46 43.421 2.424 0.860 0.514 0.911 0.644 CB 1.554 46 residues pruned to eliminate duplicates Z: 27 48.860 2.430 0.993 0.629 1.000 0.500 CB 1.753 27 residues pruned to eliminate duplicates Z: 67 48.958 2.397 0.799 0.482 0.864 0.530 CB 1.648 67 residues pruned to eliminate duplicates Z: 12 30.720 2.257 1.378 0.795 0.909 0.455 CB 1.466 12 residues pruned to eliminate duplicates Z: 44 47.630 2.454 0.934 0.531 0.907 0.558 CB 1.636 44 residues pruned to eliminate duplicates Z: 46 44.588 2.432 0.863 0.546 0.889 0.689 CB 1.578 46 residues pruned to eliminate duplicates Z: 40 23.407 2.294 0.579 0.425 0.769 0.564 CB 1.455 40 residues pruned to eliminate duplicates Z: 19 23.903 2.283 1.053 0.602 0.778 0.556 CB 1.402 19 residues pruned to eliminate duplicates Z: 45 45.579 2.470 0.887 0.514 0.886 0.682 CB 1.640 45 residues pruned to eliminate duplicates Z: 47 43.114 2.390 0.817 0.523 0.891 0.696 CB 1.604 47 residues pruned to eliminate duplicates Z: 35 29.773 2.400 0.633 0.497 0.824 0.559 CB 1.586 35 residues pruned to eliminate duplicates Z: 36 39.707 2.275 0.967 0.630 0.829 0.571 CB 1.602 36 residues pruned to eliminate duplicates Z: 43 45.957 2.443 1.082 0.526 0.833 0.333 CB 1.632 43 residues pruned to eliminate duplicates Z: 34 36.551 2.387 0.979 0.481 0.909 0.485 CB 1.511 34 residues pruned to eliminate duplicates Z: 34 34.274 2.411 0.836 0.462 0.848 0.545 CB 1.651 35 residues pruned to eliminate duplicates Z: 12 48.148 2.441 1.515 0.940 1.000 0.727 CB 1.642 12 residues pruned to eliminate duplicates Z: 44 39.655 2.414 0.837 0.465 0.860 0.512 CB 1.643 44 residues pruned to eliminate duplicates Z: 9 24.353 2.438 1.567 0.779 0.750 0.625 CB 1.435 9 residues pruned to eliminate duplicates Z: 54 48.591 2.357 1.140 0.514 0.849 0.528 CB 1.537 53 residues pruned to eliminate duplicates Z: 7 15.619 2.164 0.888 0.611 0.833 0.500 CA 1.685 7 residues pruned to eliminate duplicates Z: 42 49.535 2.415 0.975 0.485 0.951 0.659 CB 1.731 42 residues pruned to eliminate duplicates Z: 6 4.736 1.862 0.792 0.347 0.800 0.400 CA 0.937 6 residues pruned to eliminate duplicates Z: 46 51.250 2.417 0.991 0.540 0.933 0.511 CB 1.635 46 residues pruned to eliminate duplicates Z: 6 6.099 2.188 0.437 0.181 0.800 0.200 CA 1.594 6 residues pruned to eliminate duplicates Z: 20 21.880 2.294 0.707 0.324 0.895 0.526 CB 1.739 20 residues pruned to eliminate duplicates Z: 46 45.287 2.380 0.947 0.514 0.889 0.444 CB 1.616 46 residues pruned to eliminate duplicates Z: 44 51.230 2.472 1.038 0.540 0.907 0.581 CB 1.644 44 residues pruned to eliminate duplicates Z: 44 51.278 2.500 1.020 0.526 0.930 0.581 CB 1.623 44 residues pruned to eliminate duplicates Z: 42 43.419 2.469 0.889 0.514 0.902 0.415 CB 1.589 42 residues pruned to eliminate duplicates Z: 20 17.976 2.385 0.748 0.299 0.789 0.368 CA 1.569 20 residues pruned to eliminate duplicates Z: 47 52.849 2.402 1.090 0.502 0.935 0.478 CB 1.657 47 residues pruned to eliminate duplicates Z: 7 7.517 1.617 0.713 0.474 1.000 0.833 O 1.137 7 residues pruned to eliminate duplicates Z: 6 3.198 1.469 0.710 0.312 0.800 0.400 CA 0.877 Z: 39 35.126 2.209 0.846 0.511 0.868 0.605 CB 1.593 45 residues pruned to eliminate duplicates Z: 38 33.968 2.183 0.933 0.494 0.892 0.649 CB 1.492 38 residues pruned to eliminate duplicates Z: 37 33.295 2.280 0.990 0.455 0.833 0.556 CB 1.537 37 residues pruned to eliminate duplicates Z: 39 33.265 2.227 0.888 0.480 0.842 0.605 CB 1.556 39 residues pruned to eliminate duplicates Z: 39 31.399 2.249 0.671 0.512 0.895 0.632 CB 1.497 39 residues pruned to eliminate duplicates Z: 20 17.162 1.962 0.789 0.409 0.947 0.421 CB 1.303 37 residues pruned to eliminate duplicates Z: 39 32.073 2.226 0.914 0.466 0.868 0.553 CB 1.456 39 residues pruned to eliminate duplicates Z: 39 37.456 2.262 0.907 0.458 0.895 0.474 CB 1.643 39 residues pruned to eliminate duplicates Z: 26 15.957 1.959 0.675 0.334 0.880 0.360 CB 1.324 26 residues pruned to eliminate duplicates Z: 38 33.959 2.280 0.867 0.468 0.865 0.622 CB 1.567 38 residues pruned to eliminate duplicates Z: 26 29.235 2.170 0.693 0.524 0.960 0.480 CA 1.619 26 residues pruned to eliminate duplicates Z: 27 29.055 2.260 0.772 0.498 0.885 0.500 CB 1.611 27 residues pruned to eliminate duplicates Z: 24 29.468 2.335 0.865 0.480 0.870 0.609 CB 1.655 24 residues pruned to eliminate duplicates Z: 78 61.923 2.424 1.045 0.487 0.844 0.545 CB 1.709 78 residues pruned to eliminate duplicates Z: 23 34.200 2.354 0.973 0.464 0.955 0.500 CB 1.706 23 residues pruned to eliminate duplicates Z: 88 64.602 2.389 0.866 0.507 0.897 0.552 CB 1.721 88 residues pruned to eliminate duplicates Z: 24 26.206 2.216 0.867 0.448 0.826 0.609 CB 1.688 24 residues pruned to eliminate duplicates Z: 25 34.777 2.374 1.067 0.462 0.917 0.625 CB 1.641 25 residues pruned to eliminate duplicates Z: 86 62.651 2.381 0.892 0.479 0.894 0.482 CB 1.724 86 residues pruned to eliminate duplicates Z: 27 29.955 2.237 1.059 0.447 0.885 0.500 CB 1.522 27 residues pruned to eliminate duplicates Z: 39 37.770 2.252 0.973 0.468 0.895 0.553 CB 1.592 39 residues pruned to eliminate duplicates Z: 30 22.912 2.108 0.905 0.356 0.793 0.483 CB 1.560 30 residues pruned to eliminate duplicates Z: 28 26.775 2.229 0.978 0.409 0.852 0.593 CB 1.509 28 residues pruned to eliminate duplicates Z: 21 36.275 2.425 1.060 0.518 0.950 0.600 CB 1.679 21 residues pruned to eliminate duplicates Z: 23 31.792 2.300 1.083 0.458 0.909 0.636 CB 1.624 23 residues pruned to eliminate duplicates Z: 26 30.648 2.300 0.947 0.442 0.880 0.560 CA 1.651 26 residues pruned to eliminate duplicates Z: 33 25.090 2.041 0.842 0.416 0.812 0.531 CB 1.584 33 residues pruned to eliminate duplicates Z: 30 28.415 2.248 0.866 0.412 0.897 0.517 CB 1.538 30 residues pruned to eliminate duplicates Z: 28 30.686 2.255 1.031 0.421 0.889 0.593 CB 1.576 28 residues pruned to eliminate duplicates Z: 29 30.853 2.256 0.964 0.426 0.893 0.571 CB 1.590 29 residues pruned to eliminate duplicates Z: 82 58.448 2.388 0.849 0.484 0.864 0.519 CB 1.729 82 residues pruned to eliminate duplicates Z: 29 19.389 2.197 0.837 0.356 0.750 0.571 CA 1.414 29 residues pruned to eliminate duplicates Z: 17 10.286 1.895 0.764 0.308 0.750 0.625 CA 1.269 17 residues pruned to eliminate duplicates Z: 35 44.364 2.433 0.917 0.518 0.912 0.529 CA 1.758 35 residues pruned to eliminate duplicates Z: 68 56.926 2.360 0.928 0.509 0.910 0.567 CB 1.664 68 residues pruned to eliminate duplicates Z: 84 66.651 2.390 0.986 0.484 0.916 0.566 CB 1.710 84 residues pruned to eliminate duplicates Z: 136 69.406 2.309 0.870 0.487 0.874 0.496 CB 1.604 136 residues pruned to eliminate duplicates Z: 63 64.308 2.428 0.969 0.526 0.952 0.516 CB 1.749 63 residues pruned to eliminate duplicates Z: 73 72.673 2.450 1.019 0.527 0.917 0.556 CB 1.838 73 residues pruned to eliminate duplicates Z: 60 58.209 2.387 0.970 0.517 0.932 0.627 CB 1.699 60 residues pruned to eliminate duplicates Z: 39 54.089 2.411 1.008 0.565 0.947 0.605 CB 1.797 39 residues pruned to eliminate duplicates Z: 61 57.474 2.315 0.989 0.525 0.900 0.567 CB 1.746 61 residues pruned to eliminate duplicates Z: 29 40.015 2.418 0.970 0.643 0.857 0.571 CB 1.620 29 residues pruned to eliminate duplicates Z: 90 59.053 2.356 0.811 0.518 0.854 0.517 CB 1.688 90 residues pruned to eliminate duplicates Z: 57 59.182 2.402 1.002 0.523 0.911 0.500 CB 1.765 57 residues pruned to eliminate duplicates Z: 38 55.990 2.511 1.099 0.573 0.892 0.649 CA 1.825 38 residues pruned to eliminate duplicates Z: 58 61.060 2.413 0.977 0.546 0.895 0.526 CB 1.811 58 residues pruned to eliminate duplicates Z: 64 61.203 2.432 0.945 0.536 0.905 0.556 CB 1.739 64 residues pruned to eliminate duplicates Z: 67 54.806 2.417 1.025 0.461 0.833 0.470 CB 1.720 67 residues pruned to eliminate duplicates Z: 86 68.259 2.401 0.978 0.512 0.894 0.541 CB 1.722 86 residues pruned to eliminate duplicates Z: 50 55.942 2.440 0.973 0.536 0.878 0.469 CB 1.826 50 residues pruned to eliminate duplicates Z: 37 59.229 2.556 0.956 0.570 0.972 0.722 CA 1.897 37 residues pruned to eliminate duplicates Z: 64 62.039 2.411 0.954 0.531 0.905 0.619 CB 1.778 64 residues pruned to eliminate duplicates Z: 45 62.913 2.442 1.190 0.555 0.932 0.659 CB 1.804 45 residues pruned to eliminate duplicates Z: 69 53.441 2.410 0.884 0.462 0.853 0.485 CB 1.740 69 residues pruned to eliminate duplicates Z: 42 43.502 2.338 0.966 0.501 0.854 0.585 CB 1.730 42 residues pruned to eliminate duplicates Z: 36 51.132 2.510 1.141 0.489 0.829 0.400 CA 1.964 36 residues pruned to eliminate duplicates Z: 36 62.904 2.555 1.084 0.616 0.943 0.657 CB 1.898 36 residues pruned to eliminate duplicates Z: 42 39.013 2.301 0.938 0.496 0.878 0.610 CB 1.562 42 residues pruned to eliminate duplicates Z: 38 66.103 2.517 1.183 0.591 0.946 0.595 CB 1.917 38 residues pruned to eliminate duplicates Z: 99 67.114 2.368 0.990 0.494 0.888 0.551 CB 1.630 99 residues pruned to eliminate duplicates Z: 42 41.213 2.329 0.884 0.482 0.854 0.537 CB 1.749 42 residues pruned to eliminate duplicates Z: 41 52.936 2.526 1.029 0.521 0.900 0.600 CB 1.777 41 residues pruned to eliminate duplicates Z: 55 52.381 2.449 1.005 0.441 0.907 0.556 CB 1.700 55 residues pruned to eliminate duplicates Z: 63 61.883 2.365 1.004 0.547 0.887 0.629 CB 1.785 63 residues pruned to eliminate duplicates Z: 64 60.882 2.415 1.019 0.508 0.921 0.635 CB 1.695 64 residues pruned to eliminate duplicates Z: 23 30.429 2.380 1.179 0.372 0.727 0.364 CB 1.973 23 residues pruned to eliminate duplicates Z: 26 25.228 2.314 0.840 0.377 0.760 0.400 CB 1.779 26 residues pruned to eliminate duplicates Z: 68 62.387 2.396 0.974 0.516 0.925 0.522 CB 1.713 68 residues pruned to eliminate duplicates Z: 85 69.611 2.420 0.963 0.495 0.929 0.464 CB 1.731 85 residues pruned to eliminate duplicates Z: 44 40.949 2.252 0.890 0.490 0.907 0.512 CB 1.634 44 residues pruned to eliminate duplicates Z: 36 40.846 2.360 1.053 0.436 0.971 0.486 CB 1.567 36 residues pruned to eliminate duplicates Z: 64 61.615 2.334 0.938 0.523 0.952 0.571 CB 1.762 64 residues pruned to eliminate duplicates Z: 89 70.935 2.296 1.032 0.549 0.932 0.614 CB 1.657 89 residues pruned to eliminate duplicates Z: 65 68.688 2.370 1.059 0.544 0.938 0.562 CB 1.797 65 residues pruned to eliminate duplicates Z: 66 61.165 2.403 0.958 0.510 0.908 0.631 CB 1.758 66 residues pruned to eliminate duplicates Z: 66 60.797 2.417 0.951 0.523 0.908 0.569 CB 1.722 66 residues pruned to eliminate duplicates Z: 67 51.473 2.333 0.888 0.484 0.864 0.515 CA 1.693 67 residues pruned to eliminate duplicates Z: 43 46.965 2.296 0.985 0.503 0.952 0.571 CB 1.665 43 residues pruned to eliminate duplicates Z: 99 69.130 2.334 0.963 0.492 0.918 0.592 CB 1.673 99 residues pruned to eliminate duplicates Z: 85 67.621 2.370 1.042 0.499 0.881 0.512 CB 1.733 85 residues pruned to eliminate duplicates Z: 81 70.657 2.365 0.968 0.544 0.925 0.525 CB 1.758 81 residues pruned to eliminate duplicates Z: 48 47.854 2.290 0.979 0.514 0.894 0.596 CB 1.700 48 residues pruned to eliminate duplicates Z: 24 38.054 2.290 0.967 0.621 0.913 0.435 CB 1.722 24 residues pruned to eliminate duplicates Z: 90 63.599 2.301 1.009 0.504 0.899 0.517 CB 1.616 90 residues pruned to eliminate duplicates Z: 148 76.277 2.278 0.874 0.502 0.905 0.558 CB 1.626 148 residues pruned to eliminate duplicates Z: 57 80.019 2.477 1.155 0.564 1.000 0.571 CB 1.883 57 residues pruned to eliminate duplicates Z: 70 68.153 2.446 1.033 0.508 0.928 0.536 CB 1.764 70 residues pruned to eliminate duplicates Z: 59 60.421 2.379 1.028 0.532 0.914 0.500 CB 1.744 59 residues pruned to eliminate duplicates Z: 85 70.566 2.425 0.982 0.508 0.917 0.548 CB 1.734 85 residues pruned to eliminate duplicates Z: 41 38.035 2.221 0.921 0.463 0.875 0.500 CB 1.673 41 residues pruned to eliminate duplicates Z: 106 76.574 2.321 1.024 0.536 0.914 0.524 CB 1.679 106 residues pruned to eliminate duplicates Z: 81 70.149 2.304 0.998 0.534 0.925 0.575 CB 1.781 81 residues pruned to eliminate duplicates Z: 87 63.814 2.336 0.987 0.467 0.895 0.500 CB 1.713 87 residues pruned to eliminate duplicates Z: 43 31.430 2.122 0.740 0.511 0.881 0.548 CB 1.475 43 residues pruned to eliminate duplicates Z: 52 38.585 2.169 0.790 0.515 0.882 0.549 CB 1.554 52 residues pruned to eliminate duplicates Z: 40 37.908 2.165 0.895 0.558 0.897 0.538 CB 1.559 40 residues pruned to eliminate duplicates Z: 23 40.053 2.292 0.938 0.666 0.955 0.682 CB 1.726 23 residues pruned to eliminate duplicates Z: 29 28.955 2.218 0.701 0.585 0.857 0.607 CB 1.559 29 residues pruned to eliminate duplicates Z: 38 42.645 2.215 0.924 0.610 0.919 0.568 CB 1.613 38 residues pruned to eliminate duplicates Z: 23 38.245 2.207 0.931 0.649 0.955 0.591 CA 1.743 23 residues pruned to eliminate duplicates Z: 67 38.783 2.141 0.782 0.446 0.864 0.576 CB 1.532 96 residues pruned to eliminate duplicates Z: 49 38.227 2.119 0.820 0.531 0.896 0.542 CB 1.549 49 residues pruned to eliminate duplicates Z: 49 38.687 2.202 0.762 0.527 0.896 0.479 CB 1.564 49 residues pruned to eliminate duplicates Z: 49 37.874 2.212 0.674 0.551 0.917 0.625 CB 1.532 49 residues pruned to eliminate duplicates Z: 46 37.893 2.130 0.862 0.572 0.867 0.578 CB 1.533 46 residues pruned to eliminate duplicates Z: 24 38.148 2.234 1.001 0.647 0.957 0.652 CB 1.622 24 residues pruned to eliminate duplicates Z: 40 38.487 2.168 0.868 0.573 0.923 0.641 CB 1.537 40 residues pruned to eliminate duplicates Z: 49 43.926 2.219 0.833 0.552 0.917 0.625 CB 1.616 49 residues pruned to eliminate duplicates Z: 24 38.326 2.154 0.953 0.613 1.000 0.522 CA 1.706 24 residues pruned to eliminate duplicates Z: 25 35.056 2.112 0.893 0.599 1.000 0.667 CB 1.629 25 residues pruned to eliminate duplicates Z: 49 38.776 2.187 0.800 0.526 0.917 0.583 CB 1.511 49 residues pruned to eliminate duplicates Z: 32 27.754 1.971 0.762 0.543 0.935 0.581 CB 1.470 32 residues pruned to eliminate duplicates Z: 24 35.366 2.177 0.886 0.698 0.957 0.652 CA 1.567 24 residues pruned to eliminate duplicates Z: 25 37.000 2.148 1.003 0.644 0.917 0.625 CB 1.675 25 residues pruned to eliminate duplicates Z: 96 45.063 2.173 0.794 0.482 0.832 0.579 CB 1.453 96 residues pruned to eliminate duplicates Z: 24 36.427 2.151 1.038 0.650 0.957 0.696 CB 1.576 24 residues pruned to eliminate duplicates Z: 107 70.717 2.311 0.926 0.531 0.915 0.500 CB 1.636 107 residues pruned to eliminate duplicates Z: 40 43.105 2.252 0.894 0.600 0.872 0.538 CB 1.689 40 residues pruned to eliminate duplicates Z: 26 20.955 2.169 0.663 0.480 0.760 0.480 CB 1.560 26 residues pruned to eliminate duplicates Z: 6 6.282 2.140 0.225 0.397 0.800 0.200 CB 1.494 6 residues pruned to eliminate duplicates Z: 46 39.359 2.182 0.826 0.541 0.889 0.489 CB 1.591 46 residues pruned to eliminate duplicates Z: 17 22.120 2.100 0.802 0.494 0.938 0.562 CB 1.568 17 residues pruned to eliminate duplicates Z: 49 38.429 2.194 0.774 0.534 0.917 0.583 CB 1.504 49 residues pruned to eliminate duplicates Z: 28 19.795 2.157 0.500 0.464 0.815 0.481 CB 1.499 28 residues pruned to eliminate duplicates Z: 34 19.502 2.024 0.507 0.390 0.848 0.364 CB 1.473 34 residues pruned to eliminate duplicates Z: 22 19.684 2.094 0.566 0.434 0.857 0.524 CB 1.636 33 residues pruned to eliminate duplicates Z: 50 37.180 2.172 0.711 0.547 0.857 0.490 CB 1.592 50 residues pruned to eliminate duplicates Z: 12 12.813 1.935 0.567 0.474 0.818 0.364 CB 1.599 12 residues pruned to eliminate duplicates Z: 53 40.691 2.167 0.734 0.547 0.904 0.596 CB 1.586 53 residues pruned to eliminate duplicates Z: 50 39.239 2.193 0.665 0.562 0.898 0.571 CB 1.610 50 residues pruned to eliminate duplicates Z: 26 22.880 2.206 0.523 0.507 0.840 0.480 CB 1.610 26 residues pruned to eliminate duplicates Z: 21 17.494 2.111 0.512 0.483 0.800 0.450 CB 1.558 21 residues pruned to eliminate duplicates Z: 30 24.309 2.083 0.679 0.450 0.897 0.414 CB 1.516 30 residues pruned to eliminate duplicates Z: 51 40.160 2.172 0.745 0.556 0.940 0.600 CB 1.509 51 residues pruned to eliminate duplicates Z: 10 12.462 2.168 0.536 0.384 0.889 0.667 CB 1.588 10 residues pruned to eliminate duplicates Z: 10 10.788 2.249 0.425 0.419 0.778 0.667 CB 1.569 10 residues pruned to eliminate duplicates Z: 10 14.706 2.235 0.515 0.454 1.000 0.778 CB 1.517 Z: 7 8.696 1.997 0.867 0.357 1.000 0.667 CB 1.111 7 residues pruned to eliminate duplicates Z: 15 8.813 2.017 0.498 0.302 0.929 0.571 CB 1.048 15 residues pruned to eliminate duplicates Z: 11 17.222 2.221 0.677 0.504 1.000 0.700 CB 1.456 21 residues pruned to eliminate duplicates Z: 50 42.616 2.190 0.834 0.557 0.959 0.551 CB 1.494 50 residues pruned to eliminate duplicates Z: 41 25.290 2.078 0.748 0.450 0.900 0.575 CB 1.287 41 residues pruned to eliminate duplicates Z: 78 50.318 2.171 0.834 0.552 0.883 0.571 CB 1.550 78 residues pruned to eliminate duplicates Z: 62 34.003 2.096 0.722 0.486 0.885 0.508 CB 1.381 62 residues pruned to eliminate duplicates Z: 16 17.104 2.068 0.838 0.462 0.933 0.800 CB 1.294 16 residues pruned to eliminate duplicates Z: 29 14.640 1.991 0.679 0.292 0.857 0.536 CB 1.219 29 residues pruned to eliminate duplicates Z: 18 11.548 1.949 0.704 0.332 0.824 0.529 CB 1.231 18 residues pruned to eliminate duplicates Z: 16 11.554 1.985 0.658 0.333 0.867 0.533 CB 1.255 16 residues pruned to eliminate duplicates Z: 17 9.738 1.999 0.664 0.330 0.812 0.438 CB 1.085 17 residues pruned to eliminate duplicates Z: 40 23.924 2.126 0.605 0.397 0.897 0.410 CB 1.395 40 residues pruned to eliminate duplicates Z: 39 23.214 2.125 0.807 0.375 0.789 0.447 CB 1.419 39 residues pruned to eliminate duplicates Z: 64 35.063 2.099 0.704 0.470 0.921 0.540 CB 1.383 64 residues pruned to eliminate duplicates Z: 54 27.800 2.134 0.558 0.456 0.849 0.472 CB 1.416 54 residues pruned to eliminate duplicates Z: 32 20.671 2.139 0.556 0.397 0.871 0.516 CB 1.428 48 residues pruned to eliminate duplicates Z: 33 24.344 2.121 0.604 0.429 0.906 0.438 CB 1.502 33 residues pruned to eliminate duplicates Z: 31 21.670 2.124 0.572 0.471 0.867 0.533 CB 1.408 31 residues pruned to eliminate duplicates Z: 38 24.978 2.084 0.764 0.348 0.865 0.405 CB 1.522 38 residues pruned to eliminate duplicates Z: 15 26.398 2.284 0.710 0.566 0.929 0.571 CA 1.825 15 residues pruned to eliminate duplicates Z: 29 31.754 2.154 0.670 0.631 0.964 0.607 CB 1.530 29 residues pruned to eliminate duplicates Z: 16 23.138 2.302 0.528 0.597 0.867 0.467 CB 1.787 16 residues pruned to eliminate duplicates Z: 32 14.953 1.883 0.672 0.372 0.742 0.355 CB 1.318 32 residues pruned to eliminate duplicates Z: 28 33.960 2.123 0.733 0.643 0.963 0.852 CB 1.614 28 residues pruned to eliminate duplicates Z: 43 43.053 2.267 0.852 0.486 0.929 0.595 CB 1.728 43 residues pruned to eliminate duplicates Z: 30 29.471 2.091 0.818 0.615 0.897 0.621 CB 1.439 30 residues pruned to eliminate duplicates Z: 17 24.566 2.272 0.695 0.510 0.875 0.625 CA 1.805 17 residues pruned to eliminate duplicates Z: 36 24.539 2.167 0.661 0.399 0.914 0.571 CB 1.402 36 residues pruned to eliminate duplicates Z: 16 23.369 2.241 0.610 0.605 0.933 0.467 CB 1.623 16 residues pruned to eliminate duplicates Z: 30 24.574 2.174 0.748 0.477 0.862 0.690 CB 1.426 30 residues pruned to eliminate duplicates Z: 17 26.418 2.183 0.806 0.513 0.938 0.625 CB 1.765 17 residues pruned to eliminate duplicates Z: 35 21.861 2.016 0.727 0.428 0.912 0.500 CB 1.272 35 residues pruned to eliminate duplicates Z: 29 34.340 2.416 0.727 0.519 0.893 0.750 CB 1.710 29 residues pruned to eliminate duplicates Z: 69 42.579 2.231 0.766 0.464 0.912 0.588 CB 1.491 68 residues pruned to eliminate duplicates Z: 11 46.095 2.496 1.344 0.926 1.000 0.900 CA 1.747 11 residues pruned to eliminate duplicates Z: 29 40.757 2.410 0.884 0.560 0.964 0.750 CB 1.659 29 residues pruned to eliminate duplicates Z: 12 41.624 2.387 1.350 0.907 1.000 0.636 CA 1.590 12 residues pruned to eliminate duplicates Z: 30 37.421 2.359 0.821 0.540 0.931 0.414 CB 1.671 30 residues pruned to eliminate duplicates Z: 28 37.605 2.426 0.824 0.541 0.963 0.630 CB 1.632 28 residues pruned to eliminate duplicates Z: 31 38.316 2.327 0.907 0.537 0.900 0.400 CB 1.689 31 residues pruned to eliminate duplicates Z: 11 45.368 2.480 1.406 0.899 1.000 0.400 CB 1.719 11 residues pruned to eliminate duplicates Z: 29 38.692 2.418 0.908 0.551 0.929 0.464 CB 1.625 29 residues pruned to eliminate duplicates Z: 30 35.200 2.351 0.888 0.534 0.897 0.448 CB 1.589 30 residues pruned to eliminate duplicates Z: 31 33.246 2.338 0.862 0.536 0.900 0.600 CB 1.496 31 residues pruned to eliminate duplicates Z: 12 35.917 2.381 1.513 0.844 0.909 0.182 CB 1.482 12 residues pruned to eliminate duplicates Z: 56 33.653 2.239 0.726 0.451 0.818 0.545 CB 1.509 56 residues pruned to eliminate duplicates Z: 28 40.068 2.419 0.954 0.582 0.926 0.593 CB 1.628 28 residues pruned to eliminate duplicates Z: 7 7.678 1.825 0.628 0.407 0.833 0.500 CB 1.396 7 residues pruned to eliminate duplicates Z: 27 36.853 2.310 1.057 0.555 0.923 0.385 CB 1.562 27 residues pruned to eliminate duplicates Z: 31 34.236 2.351 0.860 0.531 0.867 0.500 CB 1.600 31 residues pruned to eliminate duplicates Z: 29 41.551 2.423 0.929 0.577 0.964 0.536 CB 1.618 29 residues pruned to eliminate duplicates Z: 27 31.977 2.318 0.763 0.439 0.923 0.500 CB 1.769 27 residues pruned to eliminate duplicates Z: 19 18.779 2.234 0.647 0.393 0.889 0.722 CB 1.516 19 residues pruned to eliminate duplicates Z: 33 35.113 2.269 0.854 0.535 0.875 0.562 CB 1.629 33 residues pruned to eliminate duplicates Z: 26 19.311 2.103 0.556 0.313 0.880 0.520 CB 1.649 26 residues pruned to eliminate duplicates Z: 21 20.739 2.252 0.725 0.318 0.850 0.550 CB 1.717 21 residues pruned to eliminate duplicates Z: 20 18.875 2.227 0.641 0.338 0.947 0.579 CB 1.492 20 residues pruned to eliminate duplicates Z: 29 42.460 2.412 0.993 0.577 0.929 0.571 CB 1.669 29 residues pruned to eliminate duplicates Z: 31 35.629 2.320 0.877 0.556 0.933 0.533 CB 1.515 31 residues pruned to eliminate duplicates Z: 44 35.105 2.277 0.821 0.458 0.837 0.372 CB 1.610 44 residues pruned to eliminate duplicates Z: 18 18.887 2.194 0.781 0.429 0.882 0.588 CB 1.430 18 residues pruned to eliminate duplicates Z: 25 15.180 1.920 0.764 0.339 0.833 0.458 CB 1.308 25 residues pruned to eliminate duplicates Z: 11 19.107 2.241 0.937 0.530 0.900 0.800 CB 1.502 11 residues pruned to eliminate duplicates Z: 40 38.229 2.261 0.900 0.488 0.897 0.615 CB 1.606 40 residues pruned to eliminate duplicates Z: 78 55.635 2.295 0.986 0.478 0.922 0.532 CB 1.542 87 residues pruned to eliminate duplicates Z: 7 6.926 1.634 0.432 0.472 1.000 0.500 CA 1.243 7 residues pruned to eliminate duplicates Z: 17 19.159 2.231 0.862 0.455 0.875 0.562 CB 1.380 17 residues pruned to eliminate duplicates Z: 6 3.438 1.732 0.475 0.281 1.000 0.600 CA 0.770 6 residues pruned to eliminate duplicates Z: 18 19.494 2.180 0.846 0.457 0.941 0.529 CB 1.305 18 residues pruned to eliminate duplicates Z: 17 20.555 2.247 0.826 0.459 0.938 0.438 CB 1.393 17 residues pruned to eliminate duplicates Z: 18 20.887 2.186 0.805 0.461 0.941 0.588 CB 1.419 18 residues pruned to eliminate duplicates Z: 17 20.850 2.260 0.801 0.500 0.875 0.562 CB 1.463 17 residues pruned to eliminate duplicates Z: 18 17.469 2.159 0.775 0.503 0.941 0.588 CB 1.171 18 residues pruned to eliminate duplicates Z: 37 34.700 2.260 0.913 0.478 0.917 0.694 CB 1.492 37 residues pruned to eliminate duplicates Z: 39 35.172 2.297 0.849 0.450 0.895 0.553 CB 1.580 39 residues pruned to eliminate duplicates Z: 6 4.071 1.835 0.639 0.252 1.000 0.200 CB 0.805 6 residues pruned to eliminate duplicates Z: 38 34.848 2.303 0.891 0.456 0.892 0.514 CB 1.543 38 residues pruned to eliminate duplicates Z: 27 30.537 2.312 1.002 0.413 0.846 0.462 CB 1.675 27 residues pruned to eliminate duplicates Z: 26 28.576 2.265 1.012 0.362 0.800 0.440 CB 1.819 26 residues pruned to eliminate duplicates Z: 37 24.497 2.218 0.970 0.313 0.778 0.444 CB 1.479 37 residues pruned to eliminate duplicates Z: 25 22.630 2.197 1.016 0.380 0.792 0.375 CB 1.497 25 residues pruned to eliminate duplicates Z: 24 24.761 2.272 1.021 0.403 0.783 0.435 CB 1.592 24 residues pruned to eliminate duplicates Z: 38 33.681 2.303 0.886 0.439 0.865 0.622 CB 1.570 38 residues pruned to eliminate duplicates Z: 78 54.447 2.346 0.916 0.447 0.896 0.468 CB 1.627 78 residues pruned to eliminate duplicates Z: 26 31.746 2.327 0.901 0.466 0.840 0.600 CB 1.769 26 residues pruned to eliminate duplicates Z: 23 28.476 2.382 0.911 0.446 0.818 0.545 CB 1.723 23 residues pruned to eliminate duplicates Z: 39 33.616 2.277 0.808 0.453 0.895 0.553 CB 1.554 39 residues pruned to eliminate duplicates Z: 40 34.404 2.224 1.032 0.421 0.821 0.590 CB 1.612 45 residues pruned to eliminate duplicates Z: 7 4.739 1.616 0.576 0.301 0.833 0.500 CA 1.137 Z: 14 3.495 2.011 0.168 0.098 0.538 0.231 CB 1.282 21 residues pruned to eliminate duplicates Z: 64 46.872 2.400 0.850 0.451 0.825 0.540 CB 1.694 64 residues pruned to eliminate duplicates Z: 43 32.238 2.246 0.876 0.423 0.857 0.524 CB 1.492 43 residues pruned to eliminate duplicates Z: 95 52.690 2.291 0.863 0.427 0.851 0.479 CB 1.614 105 residues pruned to eliminate duplicates Z: 11 6.304 2.147 0.344 0.153 0.700 0.300 CA 1.512 11 residues pruned to eliminate duplicates Z: 66 52.379 2.392 0.899 0.449 0.877 0.569 CB 1.719 66 residues pruned to eliminate duplicates Z: 62 43.816 2.299 0.891 0.406 0.852 0.426 CB 1.671 62 residues pruned to eliminate duplicates Z: 59 54.727 2.392 1.011 0.486 0.879 0.534 CB 1.724 59 residues pruned to eliminate duplicates Z: 45 47.732 2.402 0.943 0.484 0.909 0.682 CB 1.724 45 residues pruned to eliminate duplicates Z: 48 45.415 2.412 0.867 0.462 0.851 0.511 CB 1.796 48 residues pruned to eliminate duplicates Z: 38 47.119 2.406 0.924 0.528 0.919 0.649 CA 1.772 38 residues pruned to eliminate duplicates Z: 65 50.876 2.327 0.856 0.483 0.859 0.531 CB 1.743 65 residues pruned to eliminate duplicates Z: 97 64.551 2.337 0.933 0.489 0.885 0.552 CB 1.665 101 residues pruned to eliminate duplicates Z: 15 38.121 2.425 0.856 0.865 0.929 0.786 CA 1.786 15 residues pruned to eliminate duplicates Z: 90 52.780 2.304 0.876 0.438 0.843 0.494 CB 1.638 90 residues pruned to eliminate duplicates Z: 78 49.445 2.290 0.926 0.429 0.831 0.442 CB 1.654 78 residues pruned to eliminate duplicates Z: 66 49.490 2.387 0.877 0.460 0.831 0.585 CB 1.718 66 residues pruned to eliminate duplicates Z: 70 45.049 2.289 0.823 0.457 0.812 0.493 CB 1.673 70 residues pruned to eliminate duplicates Z: 46 47.058 2.421 1.054 0.456 0.822 0.489 CA 1.795 46 residues pruned to eliminate duplicates Z: 51 45.979 2.367 0.832 0.476 0.900 0.560 CB 1.707 51 residues pruned to eliminate duplicates Z: 69 52.025 2.285 0.938 0.469 0.897 0.529 CB 1.638 69 residues pruned to eliminate duplicates Z: 59 52.388 2.340 0.943 0.538 0.879 0.483 CB 1.658 59 residues pruned to eliminate duplicates Z: 54 47.114 2.361 0.867 0.490 0.906 0.528 CB 1.638 54 residues pruned to eliminate duplicates Z: 50 53.043 2.359 1.065 0.505 0.898 0.510 CB 1.724 50 residues pruned to eliminate duplicates Z: 81 55.599 2.371 0.847 0.485 0.863 0.575 CB 1.670 81 residues pruned to eliminate duplicates Z: 68 47.740 2.337 0.882 0.433 0.821 0.567 CB 1.731 68 residues pruned to eliminate duplicates Z: 34 36.350 2.352 0.950 0.483 0.848 0.606 CB 1.653 34 residues pruned to eliminate duplicates Z: 64 49.698 2.332 0.937 0.508 0.825 0.460 CB 1.665 64 residues pruned to eliminate duplicates Z: 46 43.006 2.418 0.949 0.456 0.844 0.600 CB 1.685 46 residues pruned to eliminate duplicates Z: 62 40.857 2.283 0.807 0.411 0.852 0.459 CB 1.634 62 residues pruned to eliminate duplicates Z: 68 51.351 2.307 0.951 0.477 0.851 0.582 CB 1.677 68 residues pruned to eliminate duplicates Z: 71 51.796 2.358 0.937 0.447 0.843 0.571 CB 1.698 71 residues pruned to eliminate duplicates Z: 81 51.077 2.324 0.852 0.440 0.863 0.450 CB 1.637 81 residues pruned to eliminate duplicates Z: 74 53.380 2.350 0.969 0.440 0.863 0.466 CB 1.664 74 residues pruned to eliminate duplicates Z: 37 56.960 2.427 1.107 0.583 0.972 0.611 CB 1.763 37 residues pruned to eliminate duplicates Z: 64 58.734 2.345 1.060 0.517 0.889 0.540 CB 1.694 64 residues pruned to eliminate duplicates Z: 25 29.543 2.233 1.162 0.372 0.792 0.458 CB 1.808 25 residues pruned to eliminate duplicates Z: 47 39.692 2.293 1.005 0.442 0.848 0.652 CB 1.595 47 residues pruned to eliminate duplicates Z: 59 54.084 2.322 0.930 0.545 0.914 0.500 CB 1.660 59 residues pruned to eliminate duplicates Z: 75 58.048 2.390 0.913 0.467 0.878 0.527 CB 1.737 75 residues pruned to eliminate duplicates Z: 79 61.619 2.363 1.022 0.486 0.885 0.462 CB 1.675 79 residues pruned to eliminate duplicates Z: 65 52.358 2.275 0.995 0.505 0.875 0.531 CB 1.640 65 residues pruned to eliminate duplicates Z: 67 60.931 2.321 1.010 0.512 0.939 0.485 CB 1.690 67 residues pruned to eliminate duplicates Z: 82 56.669 2.324 0.947 0.468 0.877 0.457 CB 1.640 82 residues pruned to eliminate duplicates Z: 65 60.947 2.343 1.027 0.504 0.953 0.594 CB 1.676 65 residues pruned to eliminate duplicates Z: 61 47.613 2.185 0.968 0.496 0.917 0.483 CB 1.566 61 residues pruned to eliminate duplicates Z: 19 27.802 2.305 0.811 0.525 0.889 0.556 CA 1.723 19 residues pruned to eliminate duplicates Z: 24 24.994 2.188 0.711 0.524 0.870 0.435 CB 1.563 24 residues pruned to eliminate duplicates Z: 66 49.715 2.283 0.918 0.482 0.923 0.446 CB 1.554 66 residues pruned to eliminate duplicates Z: 70 51.790 2.251 0.965 0.503 0.913 0.536 CB 1.539 70 residues pruned to eliminate duplicates Z: 83 63.631 2.332 1.066 0.464 0.915 0.549 CB 1.654 83 residues pruned to eliminate duplicates Z: 19 23.283 2.240 0.855 0.432 0.889 0.556 CA 1.593 19 residues pruned to eliminate duplicates Z: 86 57.167 2.330 0.928 0.475 0.824 0.541 CB 1.720 86 residues pruned to eliminate duplicates Z: 19 26.802 2.287 1.025 0.430 0.889 0.611 CA 1.649 19 residues pruned to eliminate duplicates Z: 77 60.798 2.355 1.037 0.472 0.908 0.526 CB 1.648 77 residues pruned to eliminate duplicates Z: 25 31.486 2.168 1.020 0.501 0.958 0.458 CB 1.530 25 residues pruned to eliminate duplicates Z: 18 31.358 2.249 1.129 0.482 1.000 0.765 CA 1.617 18 residues pruned to eliminate duplicates Z: 61 55.877 2.367 0.962 0.493 0.933 0.633 CB 1.676 61 residues pruned to eliminate duplicates Z: 21 23.603 2.135 0.830 0.449 0.900 0.500 CB 1.582 21 residues pruned to eliminate duplicates Z: 55 57.323 2.356 1.077 0.538 0.926 0.574 CB 1.658 55 residues pruned to eliminate duplicates Z: 80 48.752 2.237 0.922 0.402 0.848 0.456 CB 1.667 80 residues pruned to eliminate duplicates Z: 84 54.514 2.308 0.906 0.471 0.880 0.590 CB 1.594 84 residues pruned to eliminate duplicates Z: 26 23.292 2.079 0.758 0.473 0.880 0.560 CA 1.489 41 residues pruned to eliminate duplicates Z: 40 33.037 2.178 0.771 0.501 0.872 0.538 CB 1.572 40 residues pruned to eliminate duplicates Z: 25 25.632 2.083 0.761 0.491 0.917 0.458 CA 1.571 25 residues pruned to eliminate duplicates Z: 26 25.604 2.048 0.768 0.475 0.960 0.600 CA 1.510 26 residues pruned to eliminate duplicates Z: 22 28.577 2.195 0.882 0.523 0.905 0.571 CB 1.630 22 residues pruned to eliminate duplicates Z: 21 32.760 2.209 0.905 0.602 0.950 0.700 CB 1.663 21 residues pruned to eliminate duplicates Z: 42 29.005 2.186 0.713 0.519 0.780 0.634 CB 1.522 42 residues pruned to eliminate duplicates Z: 28 24.226 2.202 0.835 0.461 0.815 0.519 CB 1.474 28 residues pruned to eliminate duplicates Z: 26 22.209 2.229 0.753 0.531 0.840 0.440 CB 1.312 26 residues pruned to eliminate duplicates Z: 22 32.295 2.234 0.794 0.660 0.952 0.714 CB 1.592 22 residues pruned to eliminate duplicates Z: 29 29.380 2.073 0.837 0.474 0.893 0.464 CB 1.677 29 residues pruned to eliminate duplicates Z: 26 25.500 2.261 0.797 0.537 0.840 0.680 CB 1.442 26 residues pruned to eliminate duplicates Z: 38 29.955 2.252 0.657 0.507 0.865 0.378 CB 1.516 38 residues pruned to eliminate duplicates Z: 28 24.712 2.066 0.845 0.477 0.852 0.444 CB 1.499 28 residues pruned to eliminate duplicates Z: 22 31.653 2.262 0.703 0.671 0.952 0.667 CB 1.607 22 residues pruned to eliminate duplicates Z: 39 35.617 2.229 0.881 0.567 0.842 0.526 CB 1.534 39 residues pruned to eliminate duplicates Z: 27 27.190 2.083 0.734 0.575 0.846 0.538 CB 1.623 27 residues pruned to eliminate duplicates Z: 66 41.372 2.214 0.748 0.515 0.831 0.631 CB 1.573 65 residues pruned to eliminate duplicates Z: 6 6.630 1.486 1.005 0.459 1.000 0.600 N 1.037 6 residues pruned to eliminate duplicates Z: 32 29.936 1.976 0.766 0.577 0.935 0.581 CB 1.529 32 residues pruned to eliminate duplicates Z: 27 30.128 2.257 0.778 0.586 0.846 0.654 CB 1.603 27 residues pruned to eliminate duplicates Z: 64 51.023 2.214 0.843 0.541 0.937 0.571 CB 1.616 56 residues pruned to eliminate duplicates 6 1.896 1.460 0.479 0.124 0.800 0.400 CB 0.787 ? Z: 6 6.753 1.819 0.367 0.451 1.000 0.400 CB 1.277 6 residues pruned to eliminate duplicates Z: 9 5.696 2.043 0.810 0.298 0.625 0.500 CB 1.093 9 residues pruned to eliminate duplicates Z: 20 21.037 2.195 0.863 0.501 0.842 0.421 CB 1.400 20 residues pruned to eliminate duplicates Z: 46 29.955 2.204 0.654 0.414 0.889 0.444 CB 1.507 185 residues pruned to eliminate duplicates Z: 42 39.355 2.266 0.737 0.596 0.902 0.561 CB 1.579 Z: 6 6.525 1.681 0.567 0.358 1.000 0.800 CB 1.291 6 residues pruned to eliminate duplicates Z: 18 25.249 2.222 0.792 0.569 0.882 0.412 CB 1.631 18 residues pruned to eliminate duplicates Z: 26 20.524 2.164 0.785 0.415 0.720 0.480 CB 1.612 19 residues pruned to eliminate duplicates Z: 6 6.826 1.744 0.626 0.432 1.000 0.600 CA 1.156 6 residues pruned to eliminate duplicates Z: 19 21.232 2.069 0.837 0.532 0.833 0.444 CB 1.530 19 residues pruned to eliminate duplicates Z: 16 23.250 2.249 0.924 0.579 0.800 0.533 CB 1.607 16 residues pruned to eliminate duplicates Z: 39 39.374 2.232 0.779 0.626 0.921 0.658 CB 1.551 39 residues pruned to eliminate duplicates Z: 28 30.892 2.246 0.877 0.445 0.963 0.519 CB 1.550 28 residues pruned to eliminate duplicates Z: 7 5.096 2.098 0.193 0.406 0.833 0.667 CB 1.100 7 residues pruned to eliminate duplicates Z: 26 31.020 2.241 0.687 0.479 1.000 0.600 CB 1.675 26 residues pruned to eliminate duplicates Z: 34 25.679 2.172 0.653 0.423 0.879 0.576 CB 1.536 34 residues pruned to eliminate duplicates Z: 67 40.994 2.237 0.545 0.495 0.955 0.561 CB 1.536 116 residues pruned to eliminate duplicates Z: 31 23.170 2.164 0.662 0.443 0.833 0.500 CB 1.496 Z: 8 7.276 1.576 0.714 0.421 1.000 0.857 CB 1.105 8 residues pruned to eliminate duplicates Z: 23 16.119 2.005 0.633 0.355 0.773 0.500 CB 1.588 54 residues pruned to eliminate duplicates Z: 22 22.084 2.270 0.621 0.426 0.857 0.667 CB 1.650 22 residues pruned to eliminate duplicates Z: 21 13.787 2.102 0.647 0.370 0.750 0.600 CB 1.364 19 residues pruned to eliminate duplicates 646 residues left after pruning, divided into chains as follows: A: 10 B: 7 C: 6 D: 7 E: 7 F: 9 G: 10 H: 6 I: 16 J: 20 K: 36 L: 35 M: 9 N: 209 O: 246 P: 13 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 31.35 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 2 used as input for final density modification = 0.300, Contrast = 0.752, Connect. = 0.720 for dens.mod. cycle 1 = 0.301, Contrast = 0.883, Connect. = 0.757 for dens.mod. cycle 2 = 0.301, Contrast = 1.051, Connect. = 0.790 for dens.mod. cycle 3 = 0.301, Contrast = 1.079, Connect. = 0.794 for dens.mod. cycle 4 = 0.301, Contrast = 1.105, Connect. = 0.796 for dens.mod. cycle 5 = 0.301, Contrast = 1.114, Connect. = 0.798 for dens.mod. cycle 6 = 0.301, Contrast = 1.124, Connect. = 0.800 for dens.mod. cycle 7 = 0.301, Contrast = 1.127, Connect. = 0.801 for dens.mod. cycle 8 = 0.301, Contrast = 1.130, Connect. = 0.803 for dens.mod. cycle 9 = 0.301, Contrast = 1.129, Connect. = 0.803 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 4.60 - 3.64 - 3.18 - 2.88 - 2.67 - 2.52 - 2.39 - 2.28 - 2.19 - 2.10 0.777 0.807 0.778 0.758 0.724 0.699 0.694 0.682 0.652 0.628 0.889 0.925 0.896 0.894 0.867 0.842 0.832 0.816 0.788 0.763 N 10013 10052 9952 10293 10224 9492 10279 10571 9991 9173 Estimated mean FOM = 0.721 Pseudo-free CC = 73.88 % Best trace (cycle 2 with CC 39.36%) was saved as ./1ztc-2.1-parrot-noncs/1ztc-2.1-parrot-noncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.8 - Setup, data input and phasing 18.7 - FFTs and peak-searches 29.1 - Sphere of influence 1.2 - Rest of density modification 0.0 - Alpha-helix search 1886.7 - Tripeptide search 21323.8 - Chain tracing 0.0 - NCS analysis 99.8 - B-value refinement for trace 0.4 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 08:18:26 Total time: 23360.59 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 392.45 Used memory is bytes: 57932088