++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 00:11:01 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: ./2p97-1.6-parrot-noncs/2p97-1.6-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2p97-1.6-parrot-noncs/2p97-1.6-parrot-noncs.ins Phases from ./2p97-1.6-parrot-noncs/2p97-1.6-parrot-noncs.phi Native data from ./2p97-1.6-parrot-noncs/2p97-1.6-parrot-noncs.hkl Listing output to ./2p97-1.6-parrot-noncs/2p97-1.6-parrot-noncs.lst Phases output to ./2p97-1.6-parrot-noncs/2p97-1.6-parrot-noncs.phs Poly-Ala trace output to ./2p97-1.6-parrot-noncs/2p97-1.6-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 42 21 2 Allowed origin shift code: 9 68679 Reflections read from file ./2p97-1.6-parrot-noncs/2p97-1.6-parrot-noncs.phi 68679 Reflections read from file ./2p97-1.6-parrot-noncs/2p97-1.6-parrot-noncs.hkl 68679 Unique data, highest resolution = 1.600 Angstroms Anisotropic scaling: intensities multiplied by -0.000036h^2 -0.000036k^2 +0.000111l^2 +0.000000kl +0.000000hl +0.000000hk 18 Reflections with d > 1.800 and 0 in range 1.800 > d > 1.600 added Density sharpening factor set to 1.35 Fourier grid = 256 x 256 x 46 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 40 Extra Fourier layers will be generated <|E^2-1|> = 0.723 = 0.300, Contrast = 0.420, Connect. = 0.748 for dens.mod. cycle 1 = 0.300, Contrast = 0.572, Connect. = 0.777 for dens.mod. cycle 2 = 0.300, Contrast = 0.714, Connect. = 0.808 for dens.mod. cycle 3 = 0.300, Contrast = 0.748, Connect. = 0.815 for dens.mod. cycle 4 = 0.300, Contrast = 0.760, Connect. = 0.820 for dens.mod. cycle 5 = 0.300, Contrast = 0.767, Connect. = 0.822 for dens.mod. cycle 6 = 0.300, Contrast = 0.771, Connect. = 0.824 for dens.mod. cycle 7 = 0.300, Contrast = 0.774, Connect. = 0.825 for dens.mod. cycle 8 = 0.300, Contrast = 0.775, Connect. = 0.826 for dens.mod. cycle 9 = 0.300, Contrast = 0.776, Connect. = 0.826 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2455 peaks > 0.5 sigma used to seed fragment search Space for about 560 unique residues taking solvent into account 581 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 23 17.964 2.292 0.972 0.269 0.773 0.500 CB 1.426 B: 46 34.636 2.263 0.824 0.465 0.844 0.533 CB 1.535 15 residues pruned to eliminate duplicates C: 9 22.718 2.271 1.350 0.536 0.875 0.625 CB 1.659 D: 13 39.822 2.285 1.121 0.920 1.000 0.750 CA 1.671 E: 55 53.508 2.376 1.122 0.464 0.870 0.667 CB 1.721 22 residues pruned to eliminate duplicates F: 13 44.090 2.314 1.223 0.900 1.000 0.833 CA 1.767 13 residues pruned to eliminate duplicates G: 52 47.110 2.291 0.871 0.503 0.922 0.490 CB 1.665 54 residues pruned to eliminate duplicates H: 35 49.041 2.345 1.426 0.562 0.882 0.706 CB 1.577 35 residues pruned to eliminate duplicates I: 46 58.789 2.458 1.199 0.545 0.867 0.556 CB 1.790 32 residues pruned to eliminate duplicates J: 22 26.209 2.389 0.917 0.282 0.857 0.476 CB 1.863 22 residues pruned to eliminate duplicates K: 34 35.943 2.229 1.150 0.512 0.788 0.636 CB 1.637 52 residues pruned to eliminate duplicates L: 15 24.259 2.088 0.377 0.895 1.000 0.929 CB 1.617 M: 26 29.334 2.453 1.146 0.351 0.840 0.440 CB 1.559 26 residues pruned to eliminate duplicates N: 14 43.923 2.187 1.409 0.922 1.000 0.846 CB 1.626 14 residues pruned to eliminate duplicates O: 17 44.620 2.274 1.230 0.915 0.938 0.750 CB 1.659 18 residues pruned to eliminate duplicates P: 7 13.841 2.088 0.563 0.706 0.833 0.500 CA 1.722 Q: 12 45.631 2.461 1.299 0.923 0.909 0.727 CB 1.880 12 residues pruned to eliminate duplicates R: 13 43.904 2.265 1.261 0.937 1.000 0.833 CA 1.721 13 residues pruned to eliminate duplicates S: 66 48.129 2.403 1.012 0.449 0.815 0.600 CB 1.596 48 residues pruned to eliminate duplicates T: 17 36.713 2.342 0.886 0.887 0.875 0.750 CB 1.712 U: 8 12.224 2.165 1.227 0.539 0.714 0.571 CA 1.291 V: 15 22.571 2.040 0.385 0.923 1.000 0.857 CB 1.499 15 residues pruned to eliminate duplicates W: 15 29.208 2.096 0.719 0.913 1.000 0.857 CB 1.533 X: 22 20.723 2.264 0.613 0.404 0.857 0.571 CB 1.598 22 residues pruned to eliminate duplicates Y: 11 12.843 2.120 0.752 0.442 0.700 0.600 CA 1.658 10 residues pruned to eliminate duplicates Z: 82 50.925 2.324 0.950 0.425 0.877 0.593 CB 1.540 82 residues pruned to eliminate duplicates Z: 15 47.755 2.381 0.947 0.946 1.000 0.929 CA 1.904 17 residues pruned to eliminate duplicates Z: 12 21.505 2.072 1.087 0.616 0.909 0.727 CB 1.477 12 residues pruned to eliminate duplicates Z: 19 31.472 2.188 1.293 0.486 0.944 0.778 CB 1.588 19 residues pruned to eliminate duplicates Z: 51 55.520 2.429 1.134 0.491 0.860 0.600 CB 1.778 25 residues pruned to eliminate duplicates Z: 13 41.409 2.207 1.385 0.859 1.000 0.833 CB 1.671 13 residues pruned to eliminate duplicates Z: 23 36.615 2.397 1.430 0.410 0.818 0.409 CA 1.800 23 residues pruned to eliminate duplicates Z: 13 43.020 2.287 1.181 0.929 1.000 0.833 CA 1.742 13 residues pruned to eliminate duplicates Z: 16 41.219 2.364 0.932 0.887 0.933 0.800 CA 1.800 16 residues pruned to eliminate duplicates Z: 37 40.384 2.206 1.038 0.527 0.944 0.583 CB 1.544 6 residues pruned to eliminate duplicates Z: 16 26.253 2.137 1.152 0.568 0.933 0.667 CB 1.479 8 residues pruned to eliminate duplicates Z: 41 35.710 2.302 1.205 0.346 0.850 0.375 CB 1.547 41 residues pruned to eliminate duplicates Z: 18 39.229 2.451 1.280 0.554 0.941 0.706 CB 1.717 18 residues pruned to eliminate duplicates Z: 17 21.290 2.305 0.544 0.452 0.875 0.562 CA 1.794 16 residues pruned to eliminate duplicates Z: 79 56.969 2.342 1.044 0.498 0.885 0.641 CB 1.527 83 residues pruned to eliminate duplicates Z: 71 46.685 2.255 1.000 0.394 0.900 0.643 CB 1.538 16 residues pruned to eliminate duplicates Z: 10 15.295 2.238 0.933 0.441 0.778 0.667 CB 1.610 14 residues pruned to eliminate duplicates Z: 81 50.344 2.263 0.994 0.409 0.900 0.613 CB 1.524 81 residues pruned to eliminate duplicates Z: 57 58.602 2.362 1.046 0.594 0.929 0.661 CB 1.595 57 residues pruned to eliminate duplicates Z: 75 59.239 2.424 0.964 0.520 0.878 0.649 CB 1.614 76 residues pruned to eliminate duplicates Z: 16 47.247 2.382 1.117 0.914 0.933 0.867 CB 1.834 16 residues pruned to eliminate duplicates Z: 54 51.251 2.342 0.981 0.550 0.943 0.679 CB 1.532 42 residues pruned to eliminate duplicates Z: 65 51.526 2.345 0.979 0.478 0.938 0.656 CB 1.514 65 residues pruned to eliminate duplicates Z: 59 57.066 2.431 1.044 0.490 0.914 0.552 CB 1.668 59 residues pruned to eliminate duplicates Z: 12 34.872 2.460 0.680 0.909 1.000 0.909 CA 1.806 12 residues pruned to eliminate duplicates Z: 15 23.908 2.150 0.987 0.534 0.929 0.786 CB 1.557 15 residues pruned to eliminate duplicates Z: 87 62.458 2.346 1.036 0.475 0.919 0.581 CB 1.574 87 residues pruned to eliminate duplicates Z: 15 24.752 2.103 0.460 0.899 1.000 1.000 CB 1.540 15 residues pruned to eliminate duplicates Z: 24 40.164 2.400 0.953 0.560 0.913 0.696 CB 1.846 24 residues pruned to eliminate duplicates Z: 83 56.367 2.321 1.028 0.425 0.890 0.634 CB 1.605 83 residues pruned to eliminate duplicates Z: 15 25.021 2.078 0.556 0.888 1.000 0.857 CB 1.490 15 residues pruned to eliminate duplicates Z: 17 39.360 2.351 1.065 0.883 0.875 0.625 CB 1.675 17 residues pruned to eliminate duplicates Z: 39 46.118 2.367 0.943 0.496 0.921 0.605 CB 1.772 39 residues pruned to eliminate duplicates Z: 17 34.899 2.255 0.819 0.916 0.938 0.750 CB 1.602 17 residues pruned to eliminate duplicates Z: 15 26.220 2.378 0.988 0.456 0.857 0.643 CB 1.809 15 residues pruned to eliminate duplicates Z: 76 66.966 2.435 1.059 0.522 0.920 0.640 CB 1.640 76 residues pruned to eliminate duplicates Z: 13 39.310 2.334 1.071 0.930 1.000 0.750 CB 1.643 13 residues pruned to eliminate duplicates Z: 13 36.622 2.310 1.077 0.923 1.000 0.917 CB 1.549 14 residues pruned to eliminate duplicates Z: 13 38.502 2.291 1.182 0.936 0.917 0.833 CA 1.690 13 residues pruned to eliminate duplicates Z: 88 61.916 2.359 1.049 0.463 0.885 0.644 CB 1.611 88 residues pruned to eliminate duplicates Z: 150 84.224 2.316 1.044 0.484 0.919 0.604 CB 1.611 155 residues pruned to eliminate duplicates Z: 17 22.337 2.295 0.874 0.403 0.875 0.438 CB 1.643 Z: 42 46.304 2.412 1.152 0.469 0.951 0.488 CB 1.511 42 residues pruned to eliminate duplicates Z: 13 35.421 2.319 0.959 0.923 1.000 0.833 CB 1.582 14 residues pruned to eliminate duplicates Z: 13 36.189 2.253 1.023 0.900 0.917 0.917 CB 1.785 13 residues pruned to eliminate duplicates Z: 15 15.605 2.003 0.688 0.413 0.857 0.500 CB 1.576 15 residues pruned to eliminate duplicates Z: 14 32.892 2.203 0.744 0.908 1.000 0.846 CB 1.686 14 residues pruned to eliminate duplicates Z: 67 45.559 2.270 1.002 0.416 0.879 0.636 CB 1.533 84 residues pruned to eliminate duplicates Z: 14 29.697 2.487 1.096 0.480 0.923 0.769 CB 1.748 14 residues pruned to eliminate duplicates Z: 16 33.660 2.242 0.643 0.906 1.000 0.933 CA 1.677 16 residues pruned to eliminate duplicates Z: 15 28.226 2.082 0.663 0.912 1.000 1.000 CB 1.543 15 residues pruned to eliminate duplicates Z: 11 16.996 1.968 0.592 0.804 0.900 0.800 CA 1.462 Z: 17 34.612 2.251 0.662 0.887 1.000 0.812 CB 1.668 17 residues pruned to eliminate duplicates Z: 15 33.022 2.117 0.881 0.907 1.000 0.714 CB 1.576 14 residues pruned to eliminate duplicates Z: 11 17.123 1.900 0.484 0.899 1.000 1.000 CA 1.373 12 residues pruned to eliminate duplicates Z: 148 78.426 2.342 1.014 0.444 0.912 0.612 CB 1.594 148 residues pruned to eliminate duplicates Z: 64 54.202 2.313 0.775 0.544 0.937 0.571 CB 1.702 64 residues pruned to eliminate duplicates Z: 15 29.586 2.089 0.911 0.867 1.000 0.786 CB 1.449 15 residues pruned to eliminate duplicates Z: 28 24.144 2.261 0.950 0.339 0.815 0.630 CB 1.541 28 residues pruned to eliminate duplicates Z: 6 6.031 2.047 0.479 0.645 1.000 0.400 CB 0.779 Z: 23 22.255 2.312 0.844 0.346 0.864 0.682 CB 1.524 Z: 10 16.690 2.094 0.630 0.735 0.889 0.667 CB 1.484 10 residues pruned to eliminate duplicates Z: 14 32.168 2.239 0.702 0.922 1.000 1.000 CB 1.647 14 residues pruned to eliminate duplicates Z: 73 47.103 2.271 1.035 0.374 0.889 0.569 CB 1.547 73 residues pruned to eliminate duplicates Z: 8 13.361 1.812 0.485 0.748 1.000 0.714 CB 1.503 8 residues pruned to eliminate duplicates Z: 14 11.026 2.124 0.878 0.373 0.692 0.462 CB 1.269 14 residues pruned to eliminate duplicates Z: 19 16.928 1.978 0.735 0.410 0.833 0.500 CA 1.534 Z: 15 29.575 2.099 0.727 0.895 1.000 0.929 CB 1.563 15 residues pruned to eliminate duplicates Z: 16 38.383 2.384 0.740 0.925 0.933 0.867 CA 1.796 16 residues pruned to eliminate duplicates Z: 10 6.415 1.962 0.673 0.379 0.556 0.444 CA 1.333 10 residues pruned to eliminate duplicates Z: 16 36.557 2.323 0.730 0.910 0.933 0.733 CA 1.785 16 residues pruned to eliminate duplicates Z: 120 67.185 2.331 1.028 0.409 0.882 0.571 CB 1.624 120 residues pruned to eliminate duplicates Z: 82 65.195 2.407 0.982 0.508 0.914 0.605 CB 1.649 105 residues pruned to eliminate duplicates Z: 33 43.908 2.313 1.062 0.512 0.969 0.594 CB 1.660 43 residues pruned to eliminate duplicates Z: 34 33.885 2.121 0.947 0.570 0.879 0.697 CB 1.520 34 residues pruned to eliminate duplicates Z: 10 17.110 1.947 0.469 0.897 1.000 0.889 CB 1.427 Z: 18 23.708 2.170 0.765 0.467 0.941 0.647 CA 1.650 18 residues pruned to eliminate duplicates Z: 15 30.957 2.124 0.801 0.898 1.000 0.786 CB 1.547 15 residues pruned to eliminate duplicates Z: 102 56.471 2.241 0.971 0.427 0.891 0.653 CB 1.540 108 residues pruned to eliminate duplicates Z: 71 48.350 2.332 0.940 0.391 0.914 0.586 CB 1.568 81 residues pruned to eliminate duplicates Z: 16 45.005 2.344 1.082 0.897 1.000 0.733 CA 1.705 16 residues pruned to eliminate duplicates Z: 40 35.038 2.299 0.812 0.418 0.949 0.564 CB 1.547 40 residues pruned to eliminate duplicates Z: 14 32.979 2.225 0.827 0.933 1.000 0.769 CB 1.570 14 residues pruned to eliminate duplicates Z: 65 50.267 2.266 1.096 0.417 0.906 0.625 CB 1.593 65 residues pruned to eliminate duplicates Z: 46 47.860 2.392 1.013 0.494 0.911 0.489 CB 1.636 46 residues pruned to eliminate duplicates Z: 51 45.869 2.266 0.704 0.596 0.940 0.580 CB 1.631 51 residues pruned to eliminate duplicates Z: 71 43.416 2.228 0.931 0.379 0.886 0.586 CB 1.549 71 residues pruned to eliminate duplicates Z: 80 45.585 2.220 0.911 0.425 0.835 0.570 CB 1.564 80 residues pruned to eliminate duplicates Z: 37 50.528 2.419 0.986 0.554 0.972 0.694 CB 1.711 37 residues pruned to eliminate duplicates Z: 102 66.243 2.332 1.103 0.431 0.901 0.624 CB 1.603 102 residues pruned to eliminate duplicates Z: 50 55.511 2.406 1.015 0.556 0.878 0.551 CB 1.764 50 residues pruned to eliminate duplicates Z: 64 43.504 2.274 0.944 0.420 0.857 0.635 CB 1.572 64 residues pruned to eliminate duplicates Z: 69 43.366 2.209 0.936 0.414 0.853 0.618 CB 1.577 69 residues pruned to eliminate duplicates Z: 17 14.782 2.111 0.469 0.339 0.875 0.625 CA 1.624 17 residues pruned to eliminate duplicates Z: 17 32.327 2.305 0.506 0.891 0.938 0.938 CA 1.785 17 residues pruned to eliminate duplicates Z: 69 49.551 2.296 1.101 0.394 0.882 0.632 CB 1.579 69 residues pruned to eliminate duplicates Z: 16 55.161 2.573 1.030 0.804 1.000 0.867 CA 2.092 16 residues pruned to eliminate duplicates Z: 16 37.144 2.346 0.740 0.890 0.933 0.867 CA 1.812 16 residues pruned to eliminate duplicates Z: 16 33.808 2.029 0.883 0.909 1.000 0.800 CB 1.622 16 residues pruned to eliminate duplicates Z: 9 21.853 2.217 0.582 0.822 1.000 0.750 CB 1.666 9 residues pruned to eliminate duplicates Z: 19 17.567 2.242 0.488 0.386 0.778 0.611 CA 1.802 19 residues pruned to eliminate duplicates Z: 13 40.847 2.233 1.308 0.917 1.000 0.750 CA 1.615 13 residues pruned to eliminate duplicates Z: 14 26.876 2.180 0.676 0.889 1.000 0.846 CB 1.470 14 residues pruned to eliminate duplicates Z: 16 44.108 2.387 1.176 0.882 0.933 0.800 CB 1.700 16 residues pruned to eliminate duplicates Z: 16 39.879 2.230 0.797 0.881 1.000 0.933 CB 1.861 16 residues pruned to eliminate duplicates Z: 7 16.194 2.201 1.714 0.431 0.833 0.500 CB 1.427 7 residues pruned to eliminate duplicates Z: 19 17.099 2.012 0.639 0.444 0.833 0.556 CB 1.554 19 residues pruned to eliminate duplicates Z: 16 31.833 2.052 0.786 0.918 1.000 0.733 CB 1.581 16 residues pruned to eliminate duplicates Z: 26 18.553 2.248 0.681 0.267 0.840 0.400 CB 1.524 26 residues pruned to eliminate duplicates Z: 60 38.131 2.192 0.823 0.428 0.898 0.610 CB 1.490 60 residues pruned to eliminate duplicates Z: 43 49.478 2.400 1.060 0.526 0.929 0.619 CB 1.622 43 residues pruned to eliminate duplicates Z: 64 51.913 2.283 1.144 0.437 0.905 0.683 CB 1.576 64 residues pruned to eliminate duplicates Z: 6 9.131 2.020 0.240 0.736 1.000 0.800 CA 1.319 6 residues pruned to eliminate duplicates Z: 7 4.213 1.711 0.613 0.551 1.000 0.833 CB 0.593 Z: 33 37.502 2.274 0.971 0.495 0.938 0.625 CB 1.585 33 residues pruned to eliminate duplicates Z: 14 25.542 2.140 0.472 0.925 1.000 0.923 CB 1.578 14 residues pruned to eliminate duplicates Z: 16 26.939 2.283 0.890 0.559 0.933 0.733 CA 1.631 16 residues pruned to eliminate duplicates Z: 31 38.805 2.148 0.964 0.646 0.933 0.767 CB 1.570 30 residues pruned to eliminate duplicates Z: 27 24.814 2.235 0.940 0.335 0.923 0.538 CB 1.457 27 residues pruned to eliminate duplicates Z: 9 21.259 2.263 0.901 0.657 1.000 0.750 CB 1.511 9 residues pruned to eliminate duplicates Z: 119 72.706 2.366 1.041 0.418 0.915 0.542 CB 1.650 119 residues pruned to eliminate duplicates Z: 14 28.385 2.085 1.065 0.878 1.000 0.769 CB 1.327 14 residues pruned to eliminate duplicates Z: 29 38.735 2.316 0.675 0.644 1.000 0.643 CB 1.650 29 residues pruned to eliminate duplicates Z: 10 16.431 1.835 0.719 0.821 1.000 0.667 CA 1.314 10 residues pruned to eliminate duplicates Z: 50 37.251 2.201 0.865 0.433 0.878 0.612 CB 1.584 50 residues pruned to eliminate duplicates Z: 15 54.176 2.561 1.404 0.846 0.857 0.786 CB 2.038 15 residues pruned to eliminate duplicates Z: 70 45.718 2.277 0.977 0.389 0.899 0.609 CB 1.530 70 residues pruned to eliminate duplicates Z: 16 16.874 2.128 0.704 0.334 0.867 0.467 CA 1.663 16 residues pruned to eliminate duplicates Z: 7 4.775 1.676 1.257 0.228 0.667 0.500 CB 1.062 Z: 32 30.088 2.237 1.022 0.437 0.871 0.581 CB 1.464 32 residues pruned to eliminate duplicates Z: 13 11.208 2.002 0.497 0.464 0.750 0.667 CB 1.493 13 residues pruned to eliminate duplicates Z: 38 33.973 2.307 0.793 0.391 0.892 0.541 CB 1.699 38 residues pruned to eliminate duplicates Z: 15 26.673 2.070 0.633 0.896 1.000 0.929 CB 1.510 15 residues pruned to eliminate duplicates Z: 8 17.342 2.173 1.046 0.545 0.857 0.857 CB 1.646 8 residues pruned to eliminate duplicates Z: 49 44.025 2.268 0.998 0.430 0.938 0.688 CB 1.608 49 residues pruned to eliminate duplicates Z: 10 17.006 1.996 0.428 0.902 1.000 0.889 CB 1.418 10 residues pruned to eliminate duplicates Z: 60 39.986 2.240 0.799 0.452 0.898 0.525 CB 1.511 60 residues pruned to eliminate duplicates Z: 45 45.059 2.395 1.035 0.501 0.864 0.614 CB 1.613 45 residues pruned to eliminate duplicates Z: 6 5.415 1.817 -0.140 0.822 1.000 1.000 CA 1.172 Z: 21 30.702 2.286 0.842 0.674 0.950 0.750 CB 1.462 21 residues pruned to eliminate duplicates Z: 15 36.188 2.142 0.955 0.886 1.000 0.714 CB 1.666 15 residues pruned to eliminate duplicates Z: 12 15.964 1.822 0.266 0.918 1.000 0.909 CB 1.472 12 residues pruned to eliminate duplicates Z: 71 42.219 2.269 0.932 0.375 0.843 0.600 CB 1.561 71 residues pruned to eliminate duplicates Z: 11 19.422 2.006 0.536 0.906 1.000 0.900 CB 1.418 11 residues pruned to eliminate duplicates Z: 17 13.706 1.857 0.609 0.465 0.812 0.500 CB 1.463 6 residues pruned to eliminate duplicates Z: 70 45.378 2.267 0.877 0.412 0.899 0.667 CB 1.567 76 residues pruned to eliminate duplicates Z: 19 7.510 1.850 0.090 0.298 0.889 0.500 CB 1.236 19 residues pruned to eliminate duplicates Z: 16 17.139 2.284 0.616 0.425 0.800 0.733 CB 1.620 16 residues pruned to eliminate duplicates Z: 66 38.449 2.173 0.832 0.428 0.846 0.631 CB 1.524 66 residues pruned to eliminate duplicates Z: 11 8.752 1.810 0.523 0.441 0.800 0.500 CA 1.334 11 residues pruned to eliminate duplicates Z: 16 20.052 2.163 0.656 0.453 0.867 0.667 CA 1.751 16 residues pruned to eliminate duplicates Z: 6 10.536 1.829 0.510 0.827 1.000 1.000 CA 1.285 6 residues pruned to eliminate duplicates Z: 15 32.207 2.102 0.876 0.909 1.000 0.929 CB 1.550 15 residues pruned to eliminate duplicates Z: 46 38.331 2.275 0.846 0.408 0.911 0.622 CB 1.645 46 residues pruned to eliminate duplicates Z: 31 37.391 2.113 0.937 0.628 0.933 0.767 CB 1.584 31 residues pruned to eliminate duplicates Z: 69 48.843 2.245 1.089 0.401 0.882 0.632 CB 1.588 69 residues pruned to eliminate duplicates Z: 10 24.380 2.478 0.976 0.659 1.000 0.889 CB 1.431 17 residues pruned to eliminate duplicates Z: 50 44.619 2.219 1.059 0.437 0.918 0.694 CB 1.622 50 residues pruned to eliminate duplicates Z: 16 43.841 2.330 0.924 0.886 1.000 0.800 CB 1.821 16 residues pruned to eliminate duplicates Z: 60 47.324 2.288 0.936 0.437 0.915 0.644 CB 1.622 60 residues pruned to eliminate duplicates Z: 6 8.214 1.971 0.239 0.740 1.000 0.800 CA 1.213 6 residues pruned to eliminate duplicates Z: 12 48.072 2.455 1.214 0.892 1.000 0.909 CA 1.916 12 residues pruned to eliminate duplicates Z: 7 8.583 1.675 0.498 0.647 1.000 0.833 CA 1.218 Z: 14 32.445 2.148 0.825 0.879 1.000 0.846 CB 1.665 14 residues pruned to eliminate duplicates Z: 74 42.597 2.250 0.910 0.374 0.863 0.562 CB 1.537 74 residues pruned to eliminate duplicates Z: 67 49.793 2.274 1.126 0.399 0.909 0.652 CB 1.551 67 residues pruned to eliminate duplicates Z: 12 35.157 2.285 1.001 0.900 1.000 1.000 CB 1.656 12 residues pruned to eliminate duplicates Z: 49 41.599 2.271 0.965 0.423 0.917 0.646 CB 1.591 56 residues pruned to eliminate duplicates Z: 14 29.348 2.215 0.618 0.911 1.000 0.923 CB 1.610 14 residues pruned to eliminate duplicates Z: 17 20.020 2.287 0.546 0.480 0.812 0.562 CA 1.778 17 residues pruned to eliminate duplicates Z: 31 43.364 2.417 1.098 0.496 0.933 0.667 CB 1.680 31 residues pruned to eliminate duplicates Z: 15 17.582 2.265 0.792 0.425 0.714 0.643 CB 1.753 15 residues pruned to eliminate duplicates Z: 69 47.384 2.261 1.000 0.396 0.897 0.529 CB 1.581 69 residues pruned to eliminate duplicates Z: 83 56.949 2.321 1.046 0.447 0.878 0.585 CB 1.592 83 residues pruned to eliminate duplicates Z: 14 10.492 1.926 0.473 0.391 0.846 0.538 CB 1.361 14 residues pruned to eliminate duplicates Z: 12 18.093 2.200 0.609 0.630 0.909 0.545 CB 1.501 12 residues pruned to eliminate duplicates Z: 24 24.480 2.146 0.991 0.446 0.783 0.565 CB 1.614 Z: 23 20.418 1.997 0.620 0.626 0.818 0.636 CB 1.460 23 residues pruned to eliminate duplicates Z: 11 17.525 2.008 0.174 0.934 1.000 1.000 CB 1.641 11 residues pruned to eliminate duplicates Z: 23 20.367 2.139 0.906 0.379 0.818 0.545 CB 1.481 23 residues pruned to eliminate duplicates Z: 15 43.216 2.415 0.813 0.909 1.000 0.857 CB 1.873 15 residues pruned to eliminate duplicates Z: 11 20.880 2.001 0.616 0.897 1.000 0.900 CB 1.461 11 residues pruned to eliminate duplicates Z: 17 35.382 2.209 0.825 0.880 1.000 0.688 CB 1.590 17 residues pruned to eliminate duplicates Z: 6 8.211 2.016 0.249 0.754 0.800 0.400 CB 1.454 6 residues pruned to eliminate duplicates Z: 62 39.057 2.196 0.984 0.376 0.852 0.557 CB 1.537 62 residues pruned to eliminate duplicates Z: 12 13.650 1.716 0.497 0.796 0.909 0.818 CA 1.360 12 residues pruned to eliminate duplicates Z: 68 48.967 2.278 0.930 0.416 0.910 0.642 CB 1.633 68 residues pruned to eliminate duplicates Z: 12 18.743 1.863 0.421 0.909 1.000 0.818 CB 1.515 12 residues pruned to eliminate duplicates Z: 11 22.745 2.016 0.600 0.919 1.000 0.600 CB 1.572 11 residues pruned to eliminate duplicates Z: 46 42.134 2.220 1.003 0.463 0.889 0.644 CB 1.650 70 residues pruned to eliminate duplicates Z: 11 23.057 1.996 0.714 0.909 1.000 0.800 CB 1.512 11 residues pruned to eliminate duplicates Z: 9 23.388 2.328 0.626 0.816 1.000 1.000 CB 1.659 Z: 34 33.677 2.264 1.049 0.457 0.848 0.636 CB 1.557 34 residues pruned to eliminate duplicates Z: 10 14.363 2.238 1.459 0.462 0.778 0.667 CB 1.162 10 residues pruned to eliminate duplicates Z: 16 20.768 2.112 0.407 0.753 0.933 0.733 CB 1.544 16 residues pruned to eliminate duplicates Z: 14 30.781 2.162 0.678 0.922 1.000 0.923 CB 1.655 14 residues pruned to eliminate duplicates Z: 37 54.492 2.393 1.172 0.564 1.000 0.639 CB 1.643 37 residues pruned to eliminate duplicates Z: 11 21.536 1.986 0.626 0.897 1.000 0.700 CB 1.509 11 residues pruned to eliminate duplicates Z: 14 6.989 1.884 0.534 0.259 0.615 0.385 C 1.436 14 residues pruned to eliminate duplicates Z: 18 17.571 2.211 0.593 0.400 0.765 0.588 CB 1.759 18 residues pruned to eliminate duplicates Z: 8 9.970 2.124 0.761 0.452 0.714 0.429 CB 1.481 8 residues pruned to eliminate duplicates Z: 17 21.285 2.326 0.782 0.439 0.812 0.625 CB 1.682 16 residues pruned to eliminate duplicates Z: 53 44.094 2.281 0.960 0.436 0.904 0.615 CB 1.617 53 residues pruned to eliminate duplicates Z: 8 15.889 2.238 1.246 0.649 0.857 0.714 CB 1.213 8 residues pruned to eliminate duplicates Z: 17 36.835 2.372 0.920 0.720 0.875 0.750 CA 1.893 17 residues pruned to eliminate duplicates Z: 15 48.735 2.405 1.236 0.935 0.929 0.786 CB 1.817 15 residues pruned to eliminate duplicates Z: 9 10.271 1.874 0.649 0.625 0.750 0.625 CB 1.393 9 residues pruned to eliminate duplicates Z: 16 37.792 2.340 0.628 0.903 1.000 0.800 CA 1.826 16 residues pruned to eliminate duplicates Z: 33 32.444 2.244 0.816 0.574 0.875 0.688 CB 1.499 33 residues pruned to eliminate duplicates Z: 34 36.626 2.324 0.999 0.500 0.909 0.636 CB 1.510 34 residues pruned to eliminate duplicates Z: 12 8.987 1.931 0.763 0.486 0.818 0.455 CB 0.986 12 residues pruned to eliminate duplicates Z: 12 8.788 1.853 0.247 0.458 0.909 0.727 CB 1.317 12 residues pruned to eliminate duplicates Z: 33 45.253 2.326 1.074 0.610 0.938 0.625 CB 1.594 33 residues pruned to eliminate duplicates Z: 24 22.394 2.314 0.861 0.339 0.870 0.522 CB 1.486 Z: 51 41.347 2.235 0.967 0.418 0.920 0.600 CB 1.574 51 residues pruned to eliminate duplicates Z: 21 9.524 2.068 0.367 0.340 0.750 0.400 CB 1.196 21 residues pruned to eliminate duplicates Z: 8 5.611 1.743 0.913 0.538 0.714 0.571 CA 0.858 8 residues pruned to eliminate duplicates Z: 16 40.178 2.248 0.879 0.919 1.000 0.933 CA 1.730 16 residues pruned to eliminate duplicates Z: 18 24.925 2.139 1.060 0.371 0.941 0.588 CB 1.674 18 residues pruned to eliminate duplicates Z: 43 58.351 2.432 1.218 0.560 0.976 0.452 CB 1.614 43 residues pruned to eliminate duplicates Z: 29 41.793 2.320 0.815 0.633 1.000 0.679 CB 1.655 29 residues pruned to eliminate duplicates Z: 33 35.595 2.166 0.759 0.567 0.906 0.656 CB 1.708 33 residues pruned to eliminate duplicates Z: 15 44.357 2.364 1.146 0.933 0.929 0.571 CB 1.756 15 residues pruned to eliminate duplicates Z: 15 30.992 2.057 0.946 0.899 1.000 0.857 CB 1.479 15 residues pruned to eliminate duplicates Z: 15 38.900 2.100 1.140 0.927 1.000 0.857 CB 1.621 15 residues pruned to eliminate duplicates Z: 7 7.631 1.717 0.706 0.581 0.833 0.667 CB 1.180 7 residues pruned to eliminate duplicates Z: 101 56.866 2.229 0.959 0.460 0.900 0.630 CB 1.508 101 residues pruned to eliminate duplicates Z: 16 14.940 2.185 0.786 0.400 0.733 0.533 CB 1.496 16 residues pruned to eliminate duplicates Z: 12 19.501 1.865 0.460 0.922 1.000 0.818 CB 1.518 12 residues pruned to eliminate duplicates Z: 28 22.908 2.127 0.779 0.333 0.852 0.667 CB 1.641 28 residues pruned to eliminate duplicates Z: 41 48.908 2.326 1.032 0.560 0.900 0.600 CB 1.714 41 residues pruned to eliminate duplicates Z: 15 39.595 2.376 0.803 0.892 1.000 0.857 CB 1.774 15 residues pruned to eliminate duplicates Z: 6 6.910 1.461 0.693 0.759 1.000 0.800 CA 0.992 Z: 7 19.694 2.217 0.806 0.737 1.000 0.667 CA 1.623 7 residues pruned to eliminate duplicates Z: 10 17.997 1.960 0.647 0.871 1.000 0.778 CA 1.355 10 residues pruned to eliminate duplicates Z: 17 13.834 2.069 0.521 0.335 0.812 0.750 CB 1.619 17 residues pruned to eliminate duplicates Z: 19 22.445 2.253 1.178 0.324 0.833 0.500 CB 1.570 19 residues pruned to eliminate duplicates Z: 51 45.038 2.201 1.119 0.435 0.940 0.700 CB 1.553 51 residues pruned to eliminate duplicates Z: 12 18.654 2.129 0.999 0.452 0.818 0.636 CB 1.696 12 residues pruned to eliminate duplicates Z: 8 10.455 1.761 1.219 0.619 1.000 0.714 CB 0.904 Z: 32 46.348 2.359 1.086 0.608 0.903 0.710 CB 1.690 38 residues pruned to eliminate duplicates Z: 9 14.505 1.688 0.697 0.673 1.000 0.750 CA 1.526 9 residues pruned to eliminate duplicates Z: 27 19.750 2.089 0.912 0.306 0.808 0.538 CB 1.490 27 residues pruned to eliminate duplicates Z: 17 12.778 2.118 0.740 0.263 0.812 0.438 CB 1.398 17 residues pruned to eliminate duplicates Z: 13 39.227 2.179 1.484 0.936 0.917 0.833 CB 1.590 13 residues pruned to eliminate duplicates Z: 45 48.606 2.337 1.023 0.524 0.909 0.591 CB 1.665 45 residues pruned to eliminate duplicates Z: 67 48.160 2.299 1.003 0.415 0.879 0.606 CB 1.601 100 residues pruned to eliminate duplicates Z: 6 4.068 1.603 0.103 0.728 0.800 0.400 CB 1.048 6 residues pruned to eliminate duplicates Z: 28 38.755 2.338 0.926 0.612 0.963 0.741 CB 1.548 28 residues pruned to eliminate duplicates Z: 31 49.884 2.317 1.065 0.646 0.967 0.567 CB 1.718 31 residues pruned to eliminate duplicates Z: 16 40.797 2.299 0.836 0.905 1.000 0.933 CA 1.776 16 residues pruned to eliminate duplicates Z: 17 13.548 1.942 0.413 0.668 0.875 0.688 CB 1.208 17 residues pruned to eliminate duplicates Z: 21 28.757 2.254 1.059 0.516 0.900 0.750 CB 1.515 21 residues pruned to eliminate duplicates Z: 20 25.306 1.976 0.713 0.648 0.947 0.737 CB 1.577 20 residues pruned to eliminate duplicates Z: 37 48.752 2.372 0.901 0.543 0.972 0.528 CB 1.777 37 residues pruned to eliminate duplicates Z: 71 48.961 2.293 1.013 0.385 0.914 0.571 CB 1.567 71 residues pruned to eliminate duplicates Z: 16 36.965 2.319 0.882 0.885 0.933 0.800 CA 1.691 16 residues pruned to eliminate duplicates Z: 26 33.818 2.294 0.963 0.583 0.960 0.800 CB 1.445 26 residues pruned to eliminate duplicates Z: 6 17.783 2.154 0.920 0.813 1.000 1.000 CB 1.465 6 residues pruned to eliminate duplicates Z: 24 32.906 2.187 1.001 0.604 0.870 0.696 CB 1.633 24 residues pruned to eliminate duplicates Z: 61 57.979 2.384 1.045 0.476 0.917 0.517 CB 1.715 61 residues pruned to eliminate duplicates Z: 21 36.383 2.414 1.093 0.587 0.900 0.600 CB 1.646 21 residues pruned to eliminate duplicates Z: 12 20.818 1.815 0.679 0.914 1.000 0.818 CB 1.456 12 residues pruned to eliminate duplicates Z: 18 24.750 2.204 1.415 0.354 0.941 0.588 CB 1.403 18 residues pruned to eliminate duplicates Z: 10 21.986 2.392 0.946 0.437 1.000 0.667 CB 1.679 10 residues pruned to eliminate duplicates Z: 7 14.519 2.144 1.077 0.696 0.833 0.833 CA 1.336 7 residues pruned to eliminate duplicates Z: 15 36.191 2.059 1.244 0.895 0.929 0.571 CB 1.615 15 residues pruned to eliminate duplicates Z: 14 23.582 2.275 0.825 0.549 1.000 0.462 CB 1.502 14 residues pruned to eliminate duplicates Z: 16 38.710 2.366 0.705 0.923 1.000 0.933 CA 1.742 16 residues pruned to eliminate duplicates Z: 6 20.693 2.360 0.780 0.789 1.000 1.000 CB 1.709 6 residues pruned to eliminate duplicates Z: 9 14.886 2.008 0.223 0.889 1.000 0.875 CB 1.544 9 residues pruned to eliminate duplicates Z: 31 41.591 2.350 1.139 0.479 0.933 0.733 CB 1.652 31 residues pruned to eliminate duplicates Z: 80 63.969 2.402 1.009 0.517 0.911 0.620 CB 1.609 80 residues pruned to eliminate duplicates Z: 7 26.589 2.179 1.591 0.746 1.000 0.833 CB 1.543 7 residues pruned to eliminate duplicates Z: 16 27.625 2.277 1.156 0.588 0.933 0.867 CB 1.430 16 residues pruned to eliminate duplicates Z: 7 5.844 1.687 0.188 0.561 0.833 0.500 CB 1.347 7 residues pruned to eliminate duplicates Z: 10 6.781 1.842 0.334 0.415 0.778 0.667 CB 1.292 10 residues pruned to eliminate duplicates Z: 6 9.497 1.798 0.465 0.730 1.000 0.600 CA 1.311 13 residues pruned to eliminate duplicates Z: 12 12.712 1.792 0.105 0.855 1.000 0.636 CA 1.428 12 residues pruned to eliminate duplicates Z: 11 14.727 2.169 0.842 0.345 0.900 0.600 CB 1.532 11 residues pruned to eliminate duplicates Z: 96 60.375 2.314 1.005 0.428 0.874 0.600 CB 1.646 96 residues pruned to eliminate duplicates Z: 11 16.697 1.743 0.572 0.889 0.900 0.900 C 1.542 11 residues pruned to eliminate duplicates Z: 9 8.689 1.865 0.559 0.268 0.875 0.750 CB 1.573 11 residues pruned to eliminate duplicates Z: 38 33.716 2.224 0.627 0.542 0.919 0.568 CB 1.601 38 residues pruned to eliminate duplicates Z: 22 34.305 2.237 0.750 0.630 0.952 0.619 CB 1.776 22 residues pruned to eliminate duplicates Z: 51 42.769 2.202 1.053 0.436 0.900 0.660 CB 1.588 51 residues pruned to eliminate duplicates Z: 51 43.790 2.251 0.939 0.419 0.940 0.620 CB 1.643 51 residues pruned to eliminate duplicates Z: 7 21.806 2.036 1.348 0.778 1.000 1.000 CB 1.457 7 residues pruned to eliminate duplicates Z: 54 41.909 2.273 0.832 0.420 0.925 0.585 CB 1.626 54 residues pruned to eliminate duplicates Z: 14 36.648 2.189 0.964 0.942 1.000 0.923 CB 1.640 15 residues pruned to eliminate duplicates Z: 12 20.919 2.142 0.681 0.649 1.000 0.727 CB 1.524 12 residues pruned to eliminate duplicates Z: 16 14.997 2.015 0.552 0.486 0.800 0.600 CA 1.571 16 residues pruned to eliminate duplicates Z: 8 4.913 1.646 0.404 0.340 1.000 0.714 CB 0.957 Z: 11 14.645 1.892 0.405 0.883 1.000 0.900 CA 1.260 Z: 10 21.420 1.864 0.725 0.862 1.000 0.889 C 1.629 10 residues pruned to eliminate duplicates Z: 17 23.324 2.204 0.806 0.563 0.875 0.688 CB 1.575 17 residues pruned to eliminate duplicates Z: 46 44.109 2.219 0.966 0.465 0.956 0.689 CB 1.634 57 residues pruned to eliminate duplicates Z: 10 11.134 1.921 0.894 0.461 0.778 0.667 CB 1.364 10 residues pruned to eliminate duplicates Z: 15 20.710 2.040 0.413 0.856 1.000 0.929 CB 1.416 15 residues pruned to eliminate duplicates Z: 20 14.285 2.264 0.645 0.245 0.842 0.526 CB 1.403 20 residues pruned to eliminate duplicates Z: 12 21.935 1.834 0.819 0.907 1.000 0.909 CB 1.409 12 residues pruned to eliminate duplicates Z: 16 25.087 2.228 0.545 0.731 0.933 0.800 CB 1.638 16 residues pruned to eliminate duplicates Z: 50 45.826 2.234 1.145 0.454 0.898 0.653 CB 1.595 50 residues pruned to eliminate duplicates Z: 7 5.928 1.586 0.513 0.577 0.833 0.667 CA 1.124 7 residues pruned to eliminate duplicates Z: 7 7.376 1.969 0.346 0.407 0.833 0.333 C 1.503 7 residues pruned to eliminate duplicates Z: 16 29.460 2.291 0.877 0.841 0.867 0.600 CB 1.522 16 residues pruned to eliminate duplicates Z: 6 3.057 1.411 0.493 0.300 0.800 0.400 N 1.015 Z: 50 36.929 2.221 0.794 0.461 0.878 0.551 CB 1.570 50 residues pruned to eliminate duplicates Z: 11 23.296 1.984 0.926 0.862 1.000 0.700 CB 1.415 Z: 18 17.665 2.089 0.773 0.387 0.824 0.471 CB 1.583 18 residues pruned to eliminate duplicates Z: 7 14.595 2.192 1.136 0.599 0.833 0.833 CB 1.390 7 residues pruned to eliminate duplicates Z: 39 43.798 2.294 0.875 0.529 0.974 0.658 CB 1.649 39 residues pruned to eliminate duplicates Z: 8 10.586 2.000 0.734 0.564 0.714 0.571 CA 1.518 8 residues pruned to eliminate duplicates Z: 27 23.995 2.044 0.889 0.412 0.962 0.731 CB 1.390 27 residues pruned to eliminate duplicates Z: 22 37.616 2.320 0.900 0.619 1.000 0.571 CB 1.664 22 residues pruned to eliminate duplicates Z: 16 26.219 2.276 1.212 0.493 0.800 0.467 CB 1.693 16 residues pruned to eliminate duplicates Z: 26 20.455 2.124 0.879 0.278 0.880 0.560 CB 1.498 Z: 78 54.190 2.267 1.041 0.410 0.883 0.610 CB 1.660 78 residues pruned to eliminate duplicates Z: 46 40.301 2.243 0.891 0.483 0.911 0.622 CB 1.580 46 residues pruned to eliminate duplicates Z: 27 20.946 2.248 0.702 0.319 0.885 0.577 CB 1.483 53 residues pruned to eliminate duplicates Z: 11 19.224 2.124 0.941 0.599 0.900 0.800 CA 1.491 11 residues pruned to eliminate duplicates Z: 8 9.169 1.938 0.752 0.452 0.857 0.857 CA 1.251 8 residues pruned to eliminate duplicates Z: 11 3.854 1.438 0.357 0.371 0.800 0.500 CB 0.896 Z: 8 2.719 1.417 0.568 0.374 0.857 0.429 CB 0.617 Z: 11 14.894 1.838 0.349 0.902 1.000 1.000 CB 1.356 11 residues pruned to eliminate duplicates Z: 24 23.903 2.147 0.768 0.535 0.913 0.739 CB 1.390 24 residues pruned to eliminate duplicates Z: 9 8.495 1.789 0.974 0.524 0.875 0.625 CB 0.949 20 residues pruned to eliminate duplicates Z: 17 28.983 2.367 0.860 0.505 1.000 0.500 CB 1.638 17 residues pruned to eliminate duplicates Z: 8 19.697 2.255 1.239 0.497 0.857 0.857 CA 1.726 8 residues pruned to eliminate duplicates Z: 14 26.145 2.281 1.124 0.441 0.846 0.692 CA 1.879 14 residues pruned to eliminate duplicates Z: 15 16.619 2.104 1.271 0.269 0.857 0.571 CB 1.411 15 residues pruned to eliminate duplicates Z: 23 28.099 2.326 1.198 0.344 0.955 0.727 CB 1.454 23 residues pruned to eliminate duplicates Z: 19 32.481 2.452 1.345 0.474 0.833 0.611 CB 1.641 19 residues pruned to eliminate duplicates Z: 52 35.787 2.151 0.997 0.422 0.843 0.608 CB 1.501 52 residues pruned to eliminate duplicates Z: 7 4.809 1.372 0.248 0.651 1.000 0.500 CB 0.997 Z: 74 44.465 2.198 0.831 0.420 0.890 0.575 CB 1.578 74 residues pruned to eliminate duplicates Z: 30 26.113 2.181 0.850 0.344 0.931 0.517 CB 1.530 7 residues pruned to eliminate duplicates Z: 22 30.922 2.241 1.150 0.433 0.905 0.667 CB 1.659 22 residues pruned to eliminate duplicates Z: 18 25.020 2.157 1.002 0.531 0.882 0.765 CB 1.545 18 residues pruned to eliminate duplicates Z: 25 26.923 2.047 0.727 0.618 0.958 0.708 CB 1.451 25 residues pruned to eliminate duplicates Z: 9 14.619 2.006 1.276 0.355 0.875 0.750 CB 1.512 9 residues pruned to eliminate duplicates Z: 51 33.545 2.207 0.867 0.371 0.900 0.580 CB 1.469 81 residues pruned to eliminate duplicates Z: 48 43.066 2.330 0.910 0.494 0.851 0.574 CB 1.669 48 residues pruned to eliminate duplicates Z: 7 14.126 2.263 0.795 0.648 0.833 0.500 CB 1.484 7 residues pruned to eliminate duplicates Z: 24 29.878 2.176 0.837 0.589 0.913 0.826 CB 1.568 24 residues pruned to eliminate duplicates Z: 9 10.812 2.320 0.637 0.187 0.750 0.625 CA 1.952 9 residues pruned to eliminate duplicates Z: 7 6.354 1.909 0.761 0.355 0.833 0.667 CB 1.083 7 residues pruned to eliminate duplicates Z: 11 16.134 2.034 0.923 0.419 0.900 0.700 CB 1.577 11 residues pruned to eliminate duplicates Z: 20 17.081 2.172 0.988 0.278 0.789 0.368 CB 1.478 20 residues pruned to eliminate duplicates Z: 39 46.708 2.411 1.056 0.480 0.895 0.684 CB 1.743 50 residues pruned to eliminate duplicates Z: 36 36.205 2.106 1.019 0.544 0.914 0.714 CB 1.507 36 residues pruned to eliminate duplicates Z: 73 52.600 2.239 0.981 0.444 0.889 0.667 CB 1.666 73 residues pruned to eliminate duplicates Z: 85 44.048 2.143 0.862 0.399 0.893 0.619 CB 1.500 85 residues pruned to eliminate duplicates Z: 43 38.876 2.341 0.937 0.430 0.952 0.571 CB 1.493 43 residues pruned to eliminate duplicates Z: 14 28.835 2.318 1.054 0.417 1.000 0.769 CA 1.831 14 residues pruned to eliminate duplicates Z: 34 43.402 2.221 1.070 0.557 0.939 0.485 CB 1.655 34 residues pruned to eliminate duplicates Z: 6 2.628 1.477 0.048 0.398 0.800 0.200 CB 1.057 Z: 7 3.640 1.300 0.379 0.668 0.833 0.500 CB 0.852 7 residues pruned to eliminate duplicates Z: 14 15.902 2.136 0.666 0.312 0.846 0.462 CB 1.803 14 residues pruned to eliminate duplicates Z: 6 5.222 2.309 0.952 0.129 0.800 0.600 CB 1.030 6 residues pruned to eliminate duplicates Z: 31 32.627 2.399 1.022 0.384 0.833 0.567 CB 1.667 31 residues pruned to eliminate duplicates Z: 14 7.114 1.901 0.401 0.232 0.846 0.231 CB 1.197 14 residues pruned to eliminate duplicates Z: 24 23.970 2.133 0.699 0.548 0.870 0.652 CB 1.513 24 residues pruned to eliminate duplicates Z: 20 38.715 2.341 0.958 0.672 1.000 0.842 CB 1.653 20 residues pruned to eliminate duplicates Z: 37 39.048 2.289 0.869 0.529 0.944 0.500 CB 1.565 37 residues pruned to eliminate duplicates Z: 9 2.441 1.685 -0.052 0.449 0.750 0.625 CB 0.759 5 residues pruned to eliminate duplicates Z: 12 22.030 2.276 0.952 0.612 1.000 0.727 CB 1.344 12 residues pruned to eliminate duplicates Z: 35 20.360 2.012 0.658 0.359 0.882 0.647 CB 1.381 6 1.930 1.513 -0.236 0.336 0.800 0.400 CB 1.117 ? Z: 30 38.937 2.302 0.920 0.570 0.966 0.828 CB 1.584 30 residues pruned to eliminate duplicates Z: 37 29.460 2.265 0.843 0.346 0.889 0.500 CB 1.565 37 residues pruned to eliminate duplicates Z: 32 38.300 2.316 1.005 0.546 0.903 0.774 CB 1.568 32 residues pruned to eliminate duplicates Z: 20 30.989 2.273 1.374 0.532 0.789 0.579 CB 1.618 20 residues pruned to eliminate duplicates Z: 44 35.805 2.231 0.944 0.441 0.907 0.628 CB 1.475 79 residues pruned to eliminate duplicates Z: 51 57.190 2.396 1.089 0.556 0.900 0.620 CB 1.700 51 residues pruned to eliminate duplicates Z: 39 36.152 2.287 0.934 0.422 0.947 0.500 CB 1.518 39 residues pruned to eliminate duplicates Z: 6 9.685 2.144 0.537 0.590 0.800 0.400 CB 1.507 Z: 12 8.292 1.663 0.898 0.391 0.818 0.636 C 1.087 12 residues pruned to eliminate duplicates Z: 27 44.034 2.380 1.130 0.604 0.885 0.692 CB 1.744 27 residues pruned to eliminate duplicates Z: 6 5.870 1.589 0.445 0.533 1.000 0.800 CA 1.106 Z: 40 45.938 2.373 0.924 0.547 0.949 0.641 CB 1.622 40 residues pruned to eliminate duplicates Z: 6 14.249 1.917 1.235 0.651 1.000 0.600 CB 1.293 6 residues pruned to eliminate duplicates Z: 7 14.405 1.979 0.804 0.775 0.833 0.833 CA 1.550 7 residues pruned to eliminate duplicates Z: 33 32.939 2.386 0.920 0.420 0.875 0.562 CB 1.580 33 residues pruned to eliminate duplicates Z: 7 10.242 1.697 0.728 0.634 1.000 0.667 CA 1.257 Z: 17 16.477 2.091 0.783 0.250 0.875 0.688 CB 1.684 Z: 11 19.924 2.240 0.934 0.575 0.900 0.800 CB 1.503 11 residues pruned to eliminate duplicates Z: 11 19.164 2.183 1.189 0.479 0.800 0.700 CB 1.620 11 residues pruned to eliminate duplicates Z: 12 47.500 2.309 1.363 0.923 1.000 0.727 CA 1.844 12 residues pruned to eliminate duplicates Z: 13 40.970 2.388 1.117 0.743 1.000 0.750 CB 1.883 13 residues pruned to eliminate duplicates Z: 17 32.181 2.150 0.752 0.874 1.000 0.812 CB 1.555 17 residues pruned to eliminate duplicates Z: 54 47.934 2.387 0.942 0.448 0.906 0.547 CB 1.655 54 residues pruned to eliminate duplicates Z: 65 39.421 2.201 0.870 0.402 0.844 0.562 CB 1.574 65 residues pruned to eliminate duplicates Z: 13 32.135 2.288 0.815 0.925 1.000 0.917 CB 1.567 13 residues pruned to eliminate duplicates Z: 45 42.364 2.265 1.002 0.461 0.909 0.705 CB 1.612 62 residues pruned to eliminate duplicates Z: 12 20.883 1.798 0.826 0.905 1.000 0.727 CB 1.366 12 residues pruned to eliminate duplicates Z: 17 42.597 2.051 1.287 0.935 1.000 0.562 CB 1.582 17 residues pruned to eliminate duplicates Z: 10 2.241 1.794 0.419 0.184 0.444 0.222 CB 0.965 10 residues pruned to eliminate duplicates Z: 13 23.443 2.142 0.548 0.878 0.917 0.833 CB 1.616 13 residues pruned to eliminate duplicates Z: 52 42.437 2.296 1.131 0.423 0.902 0.588 CB 1.458 52 residues pruned to eliminate duplicates Z: 9 12.232 1.962 0.344 0.735 1.000 0.750 CB 1.329 Z: 22 23.459 2.249 0.857 0.271 1.000 0.476 CB 1.591 22 residues pruned to eliminate duplicates Z: 26 18.171 1.896 0.635 0.376 0.880 0.560 CB 1.521 26 residues pruned to eliminate duplicates Z: 14 8.559 1.719 0.376 0.473 0.846 0.615 CB 1.219 14 residues pruned to eliminate duplicates Z: 23 20.814 2.131 0.920 0.359 0.773 0.545 CA 1.634 23 residues pruned to eliminate duplicates 335 residues left after pruning, divided into chains as follows: A: 129 B: 191 C: 7 D: 8 CC for partial structure against native data = 36.69 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.526, Connect. = 0.750 for dens.mod. cycle 1 = 0.300, Contrast = 0.616, Connect. = 0.786 for dens.mod. cycle 2 = 0.300, Contrast = 0.729, Connect. = 0.815 for dens.mod. cycle 3 = 0.300, Contrast = 0.744, Connect. = 0.819 for dens.mod. cycle 4 = 0.300, Contrast = 0.758, Connect. = 0.822 for dens.mod. cycle 5 = 0.300, Contrast = 0.764, Connect. = 0.824 for dens.mod. cycle 6 = 0.300, Contrast = 0.770, Connect. = 0.825 for dens.mod. cycle 7 = 0.300, Contrast = 0.773, Connect. = 0.826 for dens.mod. cycle 8 = 0.300, Contrast = 0.776, Connect. = 0.827 for dens.mod. cycle 9 = 0.300, Contrast = 0.776, Connect. = 0.827 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2624 peaks > 0.5 sigma used to seed fragment search Space for about 560 unique residues taking solvent into account 603 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 33 54.097 2.511 1.274 0.607 0.844 0.719 CB 1.793 B: 50 40.543 2.423 0.772 0.459 0.816 0.551 CB 1.722 C: 16 49.857 2.397 1.004 0.923 1.000 0.667 CA 1.883 19 residues pruned to eliminate duplicates D: 13 42.184 2.264 1.177 0.932 1.000 0.833 CA 1.725 13 residues pruned to eliminate duplicates E: 14 25.024 2.211 0.407 0.879 1.000 0.769 CB 1.618 F: 8 18.562 2.314 1.274 0.546 0.857 0.571 CA 1.488 5 residues pruned to eliminate duplicates G: 13 18.902 2.253 1.090 0.416 0.833 0.667 CB 1.519 13 residues pruned to eliminate duplicates H: 20 35.225 2.515 1.110 0.425 0.895 0.684 CB 1.841 10 residues pruned to eliminate duplicates I: 47 38.488 2.228 0.850 0.422 0.957 0.674 CB 1.562 J: 13 43.190 2.311 1.241 0.855 1.000 0.750 CB 1.777 14 residues pruned to eliminate duplicates K: 9 28.911 2.487 1.069 0.565 0.875 0.500 C 2.131 9 residues pruned to eliminate duplicates L: 105 59.443 2.261 0.966 0.434 0.875 0.625 CB 1.605 79 residues pruned to eliminate duplicates M: 10 8.783 2.144 0.551 0.392 0.667 0.444 CA 1.480 10 residues pruned to eliminate duplicates N: 12 46.837 2.479 1.062 0.886 1.000 0.818 CA 1.993 12 residues pruned to eliminate duplicates O: 11 11.535 2.159 0.670 0.418 0.700 0.600 CA 1.574 11 residues pruned to eliminate duplicates P: 15 29.637 2.121 0.698 0.868 1.000 0.857 CB 1.607 14 residues pruned to eliminate duplicates Q: 17 36.269 2.376 0.734 0.831 0.938 0.688 CB 1.764 22 residues pruned to eliminate duplicates R: 30 38.578 2.513 0.984 0.428 0.828 0.690 CB 1.871 30 residues pruned to eliminate duplicates S: 47 32.287 2.194 0.640 0.445 0.913 0.652 CB 1.533 47 residues pruned to eliminate duplicates T: 12 52.451 2.482 1.223 0.912 1.000 0.727 CA 2.031 12 residues pruned to eliminate duplicates U: 7 12.879 2.136 0.494 0.655 1.000 0.833 CA 1.426 V: 15 23.477 2.122 0.348 0.852 1.000 0.786 CB 1.622 15 residues pruned to eliminate duplicates W: 8 14.110 2.370 1.093 0.525 0.714 0.571 CA 1.469 8 residues pruned to eliminate duplicates X: 76 62.948 2.485 0.834 0.484 0.920 0.640 CB 1.761 63 residues pruned to eliminate duplicates Y: 20 11.728 1.950 0.983 0.334 0.579 0.421 CB 1.442 Z: 53 35.529 2.192 0.882 0.390 0.904 0.558 CB 1.485 53 residues pruned to eliminate duplicates Z: 13 38.898 2.245 0.940 0.902 1.000 0.917 CA 1.839 13 residues pruned to eliminate duplicates Z: 21 31.604 2.361 0.592 0.650 0.950 0.700 CB 1.720 21 residues pruned to eliminate duplicates Z: 22 29.507 2.520 0.951 0.367 0.810 0.476 CB 1.866 10 residues pruned to eliminate duplicates Z: 33 33.227 2.365 0.995 0.312 0.844 0.500 CB 1.817 32 residues pruned to eliminate duplicates Z: 15 25.251 2.562 1.144 0.288 0.857 0.571 CB 1.818 15 residues pruned to eliminate duplicates Z: 116 66.685 2.340 0.943 0.434 0.870 0.661 CB 1.684 116 residues pruned to eliminate duplicates Z: 17 30.657 2.339 1.436 0.442 0.812 0.625 CA 1.757 17 residues pruned to eliminate duplicates Z: 14 26.809 2.224 0.481 0.932 1.000 0.769 CB 1.577 Z: 39 44.903 2.430 1.035 0.542 0.921 0.474 CB 1.535 Z: 52 60.883 2.507 0.936 0.517 0.902 0.569 CB 1.915 53 residues pruned to eliminate duplicates Z: 19 20.517 2.295 0.638 0.445 0.833 0.611 CB 1.634 Z: 16 42.647 2.454 0.742 0.895 0.933 0.800 CA 1.980 16 residues pruned to eliminate duplicates Z: 8 11.543 1.879 0.649 0.624 1.000 0.714 CA 1.253 6 residues pruned to eliminate duplicates Z: 15 26.030 2.096 0.634 0.912 1.000 0.929 CB 1.439 14 residues pruned to eliminate duplicates Z: 17 44.053 2.300 1.018 0.871 0.938 0.625 CB 1.847 17 residues pruned to eliminate duplicates Z: 9 8.782 2.140 0.520 0.412 0.750 0.750 CA 1.396 9 residues pruned to eliminate duplicates Z: 33 40.910 2.196 0.961 0.586 0.938 0.750 CB 1.649 Z: 17 39.168 2.339 0.823 0.901 0.938 0.688 CB 1.749 17 residues pruned to eliminate duplicates Z: 71 38.154 2.093 0.804 0.387 0.914 0.600 CB 1.490 71 residues pruned to eliminate duplicates Z: 12 20.940 2.422 1.038 0.380 1.000 0.727 CB 1.453 12 residues pruned to eliminate duplicates Z: 31 44.166 2.492 0.871 0.564 0.967 0.767 CB 1.681 27 residues pruned to eliminate duplicates Z: 16 36.963 2.386 0.628 0.872 0.933 0.800 CB 1.919 16 residues pruned to eliminate duplicates Z: 17 33.519 2.317 0.674 0.847 0.938 0.875 CB 1.710 17 residues pruned to eliminate duplicates Z: 17 41.534 2.348 1.012 0.881 0.938 0.688 CB 1.698 17 residues pruned to eliminate duplicates Z: 22 24.781 2.103 0.744 0.587 0.810 0.667 CA 1.677 22 residues pruned to eliminate duplicates Z: 78 69.180 2.482 0.926 0.511 0.909 0.584 CB 1.795 78 residues pruned to eliminate duplicates Z: 77 68.185 2.480 0.900 0.530 0.934 0.645 CB 1.725 78 residues pruned to eliminate duplicates Z: 12 47.353 2.424 1.226 0.873 1.000 0.818 CA 1.927 12 residues pruned to eliminate duplicates Z: 73 65.150 2.478 0.971 0.496 0.931 0.625 CB 1.696 73 residues pruned to eliminate duplicates Z: 78 55.376 2.282 0.860 0.465 0.922 0.597 CB 1.670 78 residues pruned to eliminate duplicates Z: 56 63.485 2.474 0.883 0.612 0.964 0.636 CB 1.714 56 residues pruned to eliminate duplicates Z: 34 45.010 2.409 0.931 0.509 0.970 0.576 CB 1.722 11 residues pruned to eliminate duplicates Z: 22 31.098 2.524 0.928 0.405 0.810 0.524 CB 1.903 22 residues pruned to eliminate duplicates Z: 20 30.505 2.290 1.307 0.496 0.842 0.737 CB 1.580 20 residues pruned to eliminate duplicates Z: 17 39.195 2.334 0.946 0.873 0.875 0.562 CB 1.796 17 residues pruned to eliminate duplicates Z: 9 16.795 2.151 0.395 0.802 0.875 0.875 CA 1.738 Z: 65 46.653 2.304 0.823 0.461 0.859 0.656 CB 1.681 65 residues pruned to eliminate duplicates Z: 36 33.708 2.380 0.661 0.458 0.914 0.629 CB 1.646 36 residues pruned to eliminate duplicates Z: 17 35.196 2.325 0.741 0.884 0.875 0.625 CA 1.796 17 residues pruned to eliminate duplicates Z: 15 30.364 2.150 0.653 0.892 1.000 0.857 CB 1.641 15 residues pruned to eliminate duplicates Z: 14 27.670 2.221 0.502 0.937 1.000 1.000 CB 1.600 14 residues pruned to eliminate duplicates Z: 19 30.598 2.265 1.233 0.563 0.889 0.778 CB 1.509 19 residues pruned to eliminate duplicates Z: 10 29.695 2.563 0.880 0.579 1.000 0.889 CB 1.905 11 residues pruned to eliminate duplicates Z: 64 52.596 2.370 0.968 0.434 0.873 0.524 CB 1.742 64 residues pruned to eliminate duplicates Z: 14 24.662 2.195 0.418 0.871 1.000 0.769 CB 1.603 13 residues pruned to eliminate duplicates Z: 16 32.687 2.438 0.456 0.888 0.867 0.800 CB 1.975 16 residues pruned to eliminate duplicates Z: 15 30.696 2.200 0.628 0.926 1.000 0.857 CB 1.606 16 residues pruned to eliminate duplicates Z: 16 26.478 2.122 0.443 0.912 1.000 0.867 CB 1.582 15 residues pruned to eliminate duplicates Z: 19 18.185 2.230 0.794 0.404 0.722 0.611 CB 1.641 20 residues pruned to eliminate duplicates Z: 17 43.622 2.346 0.977 0.918 0.938 0.688 CB 1.768 17 residues pruned to eliminate duplicates Z: 13 38.698 2.195 1.244 0.835 0.917 0.833 CA 1.853 13 residues pruned to eliminate duplicates Z: 31 45.074 2.465 0.902 0.543 0.967 0.767 CB 1.741 31 residues pruned to eliminate duplicates Z: 95 50.712 2.261 0.785 0.436 0.883 0.553 CB 1.567 65 residues pruned to eliminate duplicates Z: 36 37.074 2.354 0.839 0.498 0.886 0.600 CB 1.638 53 residues pruned to eliminate duplicates Z: 17 40.863 2.417 0.816 0.913 0.875 0.625 CB 1.882 17 residues pruned to eliminate duplicates Z: 13 36.597 2.189 1.026 0.861 1.000 0.917 CA 1.750 13 residues pruned to eliminate duplicates Z: 15 31.321 2.177 0.635 0.908 1.000 0.857 CB 1.670 15 residues pruned to eliminate duplicates Z: 102 56.579 2.327 0.872 0.396 0.891 0.574 CB 1.619 102 residues pruned to eliminate duplicates Z: 7 12.236 1.933 0.244 0.720 1.000 0.833 CB 1.703 7 residues pruned to eliminate duplicates Z: 13 40.497 2.360 0.912 0.939 1.000 1.000 CB 1.800 13 residues pruned to eliminate duplicates Z: 16 41.280 2.326 0.909 0.894 1.000 0.800 CA 1.722 16 residues pruned to eliminate duplicates Z: 85 66.853 2.442 0.843 0.512 0.917 0.595 CB 1.747 85 residues pruned to eliminate duplicates Z: 103 55.873 2.285 0.906 0.421 0.882 0.618 CB 1.563 104 residues pruned to eliminate duplicates Z: 10 16.588 2.076 0.337 0.876 1.000 0.889 CA 1.448 10 residues pruned to eliminate duplicates Z: 14 33.960 2.257 0.696 0.935 1.000 0.846 CB 1.715 14 residues pruned to eliminate duplicates Z: 6 11.417 1.955 0.436 0.756 1.000 1.000 CA 1.448 6 residues pruned to eliminate duplicates Z: 10 27.742 2.108 0.948 0.744 1.000 0.667 CB 1.810 10 residues pruned to eliminate duplicates Z: 10 6.483 1.715 0.402 0.484 0.778 0.444 CB 1.175 Z: 16 45.728 2.344 0.935 0.928 1.000 0.667 CB 1.822 16 residues pruned to eliminate duplicates Z: 33 33.730 2.229 0.876 0.591 0.875 0.781 CB 1.493 43 residues pruned to eliminate duplicates Z: 73 45.360 2.289 0.847 0.393 0.903 0.611 CB 1.569 73 residues pruned to eliminate duplicates Z: 77 63.139 2.482 0.874 0.504 0.882 0.632 CB 1.758 77 residues pruned to eliminate duplicates Z: 55 40.510 2.276 0.916 0.376 0.889 0.593 CB 1.624 55 residues pruned to eliminate duplicates Z: 14 32.169 2.278 0.672 0.933 1.000 0.846 CB 1.634 14 residues pruned to eliminate duplicates Z: 31 34.651 2.234 0.850 0.573 0.900 0.767 CB 1.586 31 residues pruned to eliminate duplicates Z: 11 20.442 1.924 0.882 0.768 1.000 0.600 CB 1.408 11 residues pruned to eliminate duplicates Z: 15 30.115 2.168 0.669 0.889 1.000 0.929 CB 1.602 15 residues pruned to eliminate duplicates Z: 122 58.647 2.308 0.757 0.415 0.884 0.595 CB 1.626 122 residues pruned to eliminate duplicates Z: 33 50.163 2.467 0.879 0.627 0.938 0.625 CB 1.810 33 residues pruned to eliminate duplicates Z: 90 57.190 2.265 0.975 0.462 0.910 0.618 CB 1.549 90 residues pruned to eliminate duplicates Z: 30 42.409 2.428 0.970 0.527 0.931 0.690 CB 1.721 30 residues pruned to eliminate duplicates Z: 13 31.632 2.192 0.955 0.821 0.917 0.833 CA 1.760 13 residues pruned to eliminate duplicates Z: 16 39.685 2.391 0.821 0.840 1.000 0.800 CA 1.756 16 residues pruned to eliminate duplicates Z: 29 18.137 2.138 0.764 0.310 0.821 0.500 CB 1.367 29 residues pruned to eliminate duplicates Z: 82 47.289 2.265 0.863 0.391 0.889 0.568 CB 1.571 82 residues pruned to eliminate duplicates Z: 13 38.097 2.407 0.824 0.938 1.000 1.000 CB 1.742 13 residues pruned to eliminate duplicates Z: 21 31.511 2.287 0.680 0.684 1.000 0.800 CB 1.548 21 residues pruned to eliminate duplicates Z: 29 38.892 2.355 0.631 0.636 1.000 0.571 CB 1.685 29 residues pruned to eliminate duplicates Z: 76 61.842 2.468 0.927 0.510 0.853 0.613 CB 1.742 76 residues pruned to eliminate duplicates Z: 15 32.220 2.193 0.783 0.932 1.000 0.714 CB 1.538 16 residues pruned to eliminate duplicates Z: 14 34.950 2.266 0.876 0.900 1.000 0.615 CB 1.629 13 residues pruned to eliminate duplicates Z: 53 57.315 2.375 1.065 0.549 0.923 0.577 CB 1.673 53 residues pruned to eliminate duplicates Z: 16 37.146 2.414 0.466 0.913 1.000 0.933 CA 1.918 16 residues pruned to eliminate duplicates Z: 25 19.153 2.238 0.607 0.315 0.875 0.542 CB 1.525 25 residues pruned to eliminate duplicates Z: 14 28.999 2.249 0.726 0.874 0.923 0.846 CB 1.634 14 residues pruned to eliminate duplicates Z: 52 54.407 2.340 0.999 0.544 0.922 0.608 CB 1.693 52 residues pruned to eliminate duplicates Z: 77 65.248 2.478 0.881 0.494 0.895 0.671 CB 1.806 77 residues pruned to eliminate duplicates Z: 19 18.016 2.011 0.823 0.414 0.833 0.667 CA 1.520 Z: 15 31.228 2.107 0.824 0.886 1.000 0.857 CB 1.567 15 residues pruned to eliminate duplicates Z: 41 29.530 2.095 0.952 0.536 0.825 0.625 CB 1.336 41 residues pruned to eliminate duplicates Z: 16 18.546 2.378 0.578 0.427 0.733 0.667 CB 1.878 Z: 17 22.659 2.316 0.727 0.427 0.812 0.500 CA 1.880 16 residues pruned to eliminate duplicates Z: 6 7.799 1.965 0.064 0.716 1.000 0.800 CB 1.371 6 residues pruned to eliminate duplicates Z: 8 10.961 2.129 0.397 0.535 0.857 0.429 CB 1.571 8 residues pruned to eliminate duplicates Z: 64 59.354 2.503 0.925 0.448 0.905 0.556 CB 1.809 64 residues pruned to eliminate duplicates Z: 14 42.221 2.341 1.012 0.914 0.923 0.846 CB 1.904 14 residues pruned to eliminate duplicates Z: 9 19.478 1.990 0.567 0.899 1.000 1.000 CA 1.579 9 residues pruned to eliminate duplicates Z: 16 41.961 2.399 0.844 0.892 0.933 0.800 CA 1.885 16 residues pruned to eliminate duplicates Z: 24 17.627 2.113 0.856 0.324 0.783 0.478 CB 1.454 24 residues pruned to eliminate duplicates Z: 18 29.681 2.334 1.216 0.542 0.882 0.824 CB 1.513 18 residues pruned to eliminate duplicates Z: 16 33.626 2.386 0.453 0.867 0.933 0.800 CB 1.963 16 residues pruned to eliminate duplicates Z: 17 43.151 2.352 0.937 0.876 0.938 0.625 CB 1.836 17 residues pruned to eliminate duplicates Z: 17 33.319 2.255 0.710 0.872 0.938 0.688 CB 1.680 17 residues pruned to eliminate duplicates Z: 12 35.244 2.357 0.768 0.916 1.000 0.636 CA 1.801 12 residues pruned to eliminate duplicates Z: 64 47.547 2.201 1.047 0.403 0.921 0.651 CB 1.600 64 residues pruned to eliminate duplicates Z: 12 8.112 1.863 0.283 0.355 0.818 0.545 CB 1.463 6 residues pruned to eliminate duplicates Z: 90 59.142 2.302 1.014 0.441 0.910 0.618 CB 1.579 90 residues pruned to eliminate duplicates Z: 12 48.532 2.388 1.319 0.899 1.000 0.909 CA 1.888 12 residues pruned to eliminate duplicates Z: 15 12.738 2.107 0.537 0.366 0.786 0.714 CA 1.545 15 residues pruned to eliminate duplicates Z: 19 17.809 2.040 0.630 0.352 0.889 0.556 CA 1.667 19 residues pruned to eliminate duplicates Z: 16 46.561 2.393 1.024 0.916 0.933 0.667 CB 1.879 16 residues pruned to eliminate duplicates Z: 52 50.718 2.427 0.917 0.484 0.941 0.510 CB 1.649 42 residues pruned to eliminate duplicates Z: 13 16.984 1.740 0.346 0.916 1.000 0.917 CA 1.479 13 residues pruned to eliminate duplicates Z: 14 23.911 2.221 0.236 0.908 1.000 0.846 CB 1.716 14 residues pruned to eliminate duplicates Z: 27 16.262 2.035 0.417 0.317 0.923 0.423 CB 1.467 27 residues pruned to eliminate duplicates Z: 13 22.932 2.294 1.082 0.536 0.917 0.750 CB 1.459 13 residues pruned to eliminate duplicates Z: 12 17.344 1.885 0.261 0.927 1.000 1.000 CB 1.541 12 residues pruned to eliminate duplicates Z: 10 21.207 2.128 0.533 0.815 1.000 0.889 CB 1.647 10 residues pruned to eliminate duplicates Z: 9 9.165 1.892 0.820 0.507 0.750 0.500 CB 1.246 9 residues pruned to eliminate duplicates Z: 17 34.399 2.339 0.549 0.872 0.938 0.688 CB 1.845 17 residues pruned to eliminate duplicates Z: 10 28.640 2.131 0.847 0.829 1.000 0.667 CA 1.826 10 residues pruned to eliminate duplicates Z: 65 42.254 2.240 0.897 0.388 0.891 0.562 CB 1.573 65 residues pruned to eliminate duplicates Z: 51 42.590 2.412 0.750 0.497 0.820 0.520 CB 1.746 51 residues pruned to eliminate duplicates Z: 28 18.095 2.083 0.818 0.340 0.852 0.556 CB 1.285 28 residues pruned to eliminate duplicates Z: 74 64.518 2.482 0.855 0.519 0.904 0.644 CB 1.780 74 residues pruned to eliminate duplicates Z: 64 38.772 2.133 0.845 0.419 0.921 0.587 CB 1.468 64 residues pruned to eliminate duplicates Z: 29 41.766 2.349 0.777 0.576 0.964 0.571 CB 1.822 29 residues pruned to eliminate duplicates Z: 13 16.087 2.159 0.467 0.609 0.917 0.333 CB 1.443 13 residues pruned to eliminate duplicates Z: 91 50.761 2.276 0.812 0.408 0.878 0.589 CB 1.627 91 residues pruned to eliminate duplicates Z: 73 41.747 2.205 0.886 0.368 0.889 0.569 CB 1.533 73 residues pruned to eliminate duplicates Z: 23 39.289 2.580 1.196 0.418 0.818 0.591 CA 1.968 23 residues pruned to eliminate duplicates Z: 20 13.542 1.989 0.515 0.287 0.842 0.579 CB 1.555 20 residues pruned to eliminate duplicates Z: 90 50.252 2.285 0.988 0.377 0.865 0.573 CB 1.547 90 residues pruned to eliminate duplicates Z: 7 5.592 1.995 0.902 0.369 0.667 0.667 CB 1.039 7 residues pruned to eliminate duplicates Z: 10 15.017 2.419 0.751 0.277 0.889 0.556 CB 1.712 10 residues pruned to eliminate duplicates Z: 10 25.749 2.129 0.831 0.813 1.000 0.556 CB 1.677 10 residues pruned to eliminate duplicates Z: 11 5.471 1.807 0.154 0.415 0.800 0.700 CB 1.134 10 residues pruned to eliminate duplicates Z: 86 46.350 2.214 0.859 0.431 0.859 0.588 CB 1.527 86 residues pruned to eliminate duplicates Z: 9 3.963 1.598 0.577 0.375 0.625 0.375 N 1.016 9 residues pruned to eliminate duplicates Z: 68 45.430 2.279 0.866 0.411 0.910 0.627 CB 1.574 68 residues pruned to eliminate duplicates Z: 14 42.263 2.255 1.045 0.948 1.000 0.846 CB 1.756 14 residues pruned to eliminate duplicates Z: 12 40.413 2.306 1.021 0.880 1.000 0.818 C 1.895 12 residues pruned to eliminate duplicates Z: 33 39.967 2.405 0.793 0.530 0.969 0.656 CB 1.642 33 residues pruned to eliminate duplicates Z: 44 37.945 2.228 0.938 0.419 0.907 0.628 CB 1.608 44 residues pruned to eliminate duplicates Z: 16 25.388 2.370 0.757 0.476 0.867 0.800 CB 1.860 17 residues pruned to eliminate duplicates Z: 66 38.658 2.161 0.859 0.394 0.862 0.615 CB 1.550 66 residues pruned to eliminate duplicates Z: 10 20.915 2.015 0.626 0.899 1.000 1.000 CA 1.521 10 residues pruned to eliminate duplicates Z: 70 49.593 2.321 0.911 0.400 0.913 0.551 CB 1.638 70 residues pruned to eliminate duplicates Z: 18 17.235 2.118 0.714 0.350 0.882 0.588 CB 1.536 18 residues pruned to eliminate duplicates Z: 102 55.788 2.301 0.825 0.459 0.861 0.634 CB 1.601 102 residues pruned to eliminate duplicates Z: 14 22.888 2.209 1.311 0.501 0.769 0.692 CB 1.614 14 residues pruned to eliminate duplicates Z: 32 39.563 2.395 0.999 0.475 0.903 0.613 CB 1.686 32 residues pruned to eliminate duplicates Z: 16 9.411 1.995 0.552 0.364 0.733 0.533 CB 1.239 11 residues pruned to eliminate duplicates Z: 77 48.622 2.260 0.875 0.439 0.882 0.618 CB 1.590 77 residues pruned to eliminate duplicates Z: 42 33.014 2.315 0.534 0.494 0.878 0.512 CB 1.662 42 residues pruned to eliminate duplicates Z: 12 15.333 1.845 0.287 0.896 1.000 0.909 CB 1.395 12 residues pruned to eliminate duplicates Z: 15 24.725 2.172 0.397 0.799 1.000 0.643 CB 1.675 15 residues pruned to eliminate duplicates Z: 112 56.292 2.266 0.894 0.395 0.874 0.586 CB 1.592 112 residues pruned to eliminate duplicates Z: 13 45.091 2.202 1.386 0.939 1.000 0.833 CA 1.722 13 residues pruned to eliminate duplicates Z: 17 15.459 2.011 0.580 0.354 0.875 0.625 C 1.627 17 residues pruned to eliminate duplicates Z: 20 13.352 2.052 0.596 0.348 0.895 0.474 CB 1.233 20 residues pruned to eliminate duplicates Z: 11 19.252 2.066 0.443 0.909 1.000 0.900 CB 1.449 11 residues pruned to eliminate duplicates Z: 6 8.860 2.015 0.273 0.631 1.000 0.800 CB 1.364 6 residues pruned to eliminate duplicates Z: 71 57.574 2.282 1.054 0.462 0.929 0.614 CB 1.643 71 residues pruned to eliminate duplicates Z: 14 9.373 1.974 0.510 0.397 0.769 0.615 CB 1.263 14 residues pruned to eliminate duplicates Z: 17 37.087 2.352 0.761 0.876 0.938 0.750 CB 1.735 17 residues pruned to eliminate duplicates Z: 24 23.509 2.016 0.938 0.423 0.957 0.783 CB 1.422 24 residues pruned to eliminate duplicates Z: 11 21.479 2.037 0.741 0.878 1.000 0.700 CB 1.389 11 residues pruned to eliminate duplicates Z: 12 19.363 1.972 0.590 0.898 1.000 0.909 CB 1.332 12 residues pruned to eliminate duplicates Z: 7 26.470 2.366 0.981 0.797 1.000 0.833 CA 1.777 7 residues pruned to eliminate duplicates Z: 10 18.867 2.086 0.417 0.889 1.000 1.000 CA 1.532 10 residues pruned to eliminate duplicates Z: 12 19.262 1.908 0.761 0.743 0.909 0.636 CB 1.530 12 residues pruned to eliminate duplicates Z: 9 12.458 2.199 0.760 0.470 0.875 0.750 CB 1.341 9 residues pruned to eliminate duplicates Z: 6 4.032 1.903 0.326 0.361 0.600 0.600 CA 1.383 6 residues pruned to eliminate duplicates Z: 68 46.116 2.277 0.954 0.394 0.881 0.582 CB 1.609 68 residues pruned to eliminate duplicates Z: 28 21.572 2.054 0.923 0.407 0.852 0.667 CB 1.361 28 residues pruned to eliminate duplicates Z: 81 45.961 2.252 0.873 0.387 0.875 0.550 CB 1.570 81 residues pruned to eliminate duplicates Z: 17 40.172 2.319 1.002 0.876 0.938 0.562 CB 1.677 17 residues pruned to eliminate duplicates Z: 8 8.053 1.842 0.636 0.577 0.857 0.429 CB 1.094 8 residues pruned to eliminate duplicates Z: 79 48.404 2.268 0.798 0.472 0.897 0.667 CB 1.540 79 residues pruned to eliminate duplicates Z: 17 41.924 2.222 0.917 0.919 1.000 0.625 CB 1.734 17 residues pruned to eliminate duplicates Z: 9 17.542 2.303 0.896 0.623 0.875 0.500 CB 1.446 9 residues pruned to eliminate duplicates Z: 12 23.645 1.882 0.834 0.919 1.000 0.727 CB 1.456 12 residues pruned to eliminate duplicates Z: 10 23.734 2.030 0.801 0.864 1.000 0.889 CB 1.587 10 residues pruned to eliminate duplicates Z: 66 67.714 2.489 0.901 0.554 0.954 0.523 CB 1.766 66 residues pruned to eliminate duplicates Z: 7 10.212 1.829 1.357 0.522 0.833 0.667 CB 1.136 7 residues pruned to eliminate duplicates Z: 14 9.392 1.925 0.402 0.375 0.692 0.462 CA 1.594 14 residues pruned to eliminate duplicates Z: 102 55.437 2.286 0.764 0.461 0.911 0.693 CB 1.563 102 residues pruned to eliminate duplicates Z: 42 32.663 2.266 0.526 0.482 0.854 0.488 CB 1.760 42 residues pruned to eliminate duplicates Z: 25 18.589 2.173 0.848 0.290 0.833 0.458 CB 1.436 25 residues pruned to eliminate duplicates Z: 15 44.071 2.473 0.924 0.935 0.929 0.714 CB 1.858 15 residues pruned to eliminate duplicates Z: 15 15.714 1.918 0.604 0.595 0.929 0.643 CB 1.342 16 residues pruned to eliminate duplicates Z: 49 41.936 2.334 0.792 0.417 0.938 0.604 CB 1.683 49 residues pruned to eliminate duplicates Z: 36 44.635 2.351 1.058 0.495 0.943 0.686 CB 1.662 36 residues pruned to eliminate duplicates Z: 7 12.383 2.213 0.677 0.466 0.833 0.667 CA 1.691 7 residues pruned to eliminate duplicates Z: 12 17.612 1.916 0.354 0.921 1.000 0.909 CB 1.441 12 residues pruned to eliminate duplicates Z: 11 8.191 1.873 0.711 0.393 0.700 0.400 N 1.293 9 residues pruned to eliminate duplicates Z: 72 61.441 2.410 0.893 0.542 0.901 0.592 CB 1.702 65 residues pruned to eliminate duplicates Z: 14 36.158 2.267 0.907 0.934 1.000 0.846 CB 1.617 15 residues pruned to eliminate duplicates Z: 6 4.539 1.550 -0.137 0.845 1.000 0.800 CA 1.128 Z: 7 6.723 1.994 0.562 0.392 0.833 0.333 CB 1.186 7 residues pruned to eliminate duplicates Z: 68 46.164 2.270 0.787 0.462 0.896 0.597 CB 1.614 68 residues pruned to eliminate duplicates Z: 75 38.270 2.205 0.757 0.409 0.838 0.514 CB 1.508 81 residues pruned to eliminate duplicates Z: 11 16.733 2.063 0.128 0.918 1.000 1.000 CB 1.603 11 residues pruned to eliminate duplicates Z: 10 30.898 2.264 1.176 0.685 1.000 0.667 CB 1.764 10 residues pruned to eliminate duplicates Z: 77 74.833 2.526 1.002 0.533 0.921 0.605 CB 1.784 77 residues pruned to eliminate duplicates Z: 7 5.622 1.750 1.138 0.323 0.833 0.500 CA 0.894 Z: 37 39.231 2.285 0.833 0.503 0.917 0.639 CB 1.697 37 residues pruned to eliminate duplicates Z: 83 56.825 2.313 0.918 0.458 0.890 0.683 CB 1.659 83 residues pruned to eliminate duplicates Z: 64 60.365 2.477 0.832 0.547 0.905 0.683 CB 1.770 64 residues pruned to eliminate duplicates Z: 51 35.177 2.192 0.837 0.381 0.900 0.640 CB 1.558 51 residues pruned to eliminate duplicates Z: 17 26.473 2.456 1.064 0.464 0.750 0.562 CB 1.805 17 residues pruned to eliminate duplicates Z: 16 28.906 2.161 0.509 0.821 1.000 0.933 CB 1.733 16 residues pruned to eliminate duplicates Z: 26 46.846 2.488 1.316 0.593 0.880 0.680 CB 1.690 26 residues pruned to eliminate duplicates Z: 8 19.933 2.170 0.798 0.714 1.000 1.000 CB 1.590 8 residues pruned to eliminate duplicates Z: 96 57.067 2.291 0.883 0.474 0.874 0.653 CB 1.594 96 residues pruned to eliminate duplicates Z: 66 51.305 2.252 0.937 0.458 0.938 0.631 CB 1.623 66 residues pruned to eliminate duplicates Z: 37 34.868 2.341 0.822 0.493 0.861 0.472 CB 1.594 44 residues pruned to eliminate duplicates Z: 42 44.990 2.305 1.058 0.523 0.878 0.707 CB 1.649 42 residues pruned to eliminate duplicates Z: 9 15.570 2.153 0.819 0.466 1.000 0.500 CB 1.456 9 residues pruned to eliminate duplicates Z: 44 37.305 2.333 0.733 0.488 0.837 0.465 CB 1.701 44 residues pruned to eliminate duplicates Z: 13 39.192 2.288 1.105 0.924 1.000 0.500 CB 1.649 13 residues pruned to eliminate duplicates Z: 28 41.300 2.404 0.808 0.630 0.963 0.852 CB 1.679 28 residues pruned to eliminate duplicates Z: 16 24.622 2.272 0.466 0.727 0.933 0.733 CB 1.666 16 residues pruned to eliminate duplicates Z: 15 33.656 2.136 0.908 0.910 1.000 0.786 CB 1.566 15 residues pruned to eliminate duplicates Z: 7 2.448 1.618 0.960 0.449 0.667 0.500 CB 0.498 7 residues pruned to eliminate duplicates Z: 20 46.592 2.531 1.413 0.490 0.895 0.526 CB 1.977 20 residues pruned to eliminate duplicates Z: 6 3.822 1.691 0.110 0.577 0.800 0.600 CB 1.057 6 residues pruned to eliminate duplicates Z: 6 11.636 2.103 0.447 0.735 1.000 0.600 CA 1.384 6 residues pruned to eliminate duplicates Z: 14 36.849 2.200 1.113 0.927 0.923 0.769 CB 1.669 14 residues pruned to eliminate duplicates Z: 12 14.044 1.813 0.348 0.812 0.909 0.909 CA 1.453 12 residues pruned to eliminate duplicates Z: 111 63.594 2.301 0.980 0.440 0.855 0.618 CB 1.656 111 residues pruned to eliminate duplicates Z: 7 8.320 1.875 0.595 0.270 1.000 0.833 CB 1.476 7 residues pruned to eliminate duplicates Z: 51 52.361 2.458 1.022 0.501 0.880 0.580 CB 1.692 51 residues pruned to eliminate duplicates Z: 24 25.822 2.389 0.741 0.391 0.870 0.522 CB 1.671 24 residues pruned to eliminate duplicates Z: 60 46.079 2.188 0.959 0.459 0.915 0.593 CB 1.593 60 residues pruned to eliminate duplicates Z: 15 45.380 2.492 0.993 0.893 0.929 0.571 CB 1.888 15 residues pruned to eliminate duplicates Z: 19 16.209 1.990 0.662 0.449 1.000 0.611 CB 1.217 19 residues pruned to eliminate duplicates Z: 28 20.733 2.125 0.931 0.297 0.852 0.556 CB 1.432 28 residues pruned to eliminate duplicates Z: 6 10.429 2.245 0.856 0.528 0.600 0.600 CB 1.815 6 residues pruned to eliminate duplicates Z: 10 13.843 2.141 0.673 0.547 0.889 0.556 CB 1.384 10 residues pruned to eliminate duplicates Z: 11 13.513 2.078 0.462 0.352 1.000 0.600 CB 1.651 11 residues pruned to eliminate duplicates Z: 14 15.690 1.745 1.142 0.549 0.846 0.615 CB 1.312 14 residues pruned to eliminate duplicates Z: 11 18.976 2.213 0.932 0.357 1.000 0.700 CA 1.637 11 residues pruned to eliminate duplicates Z: 10 15.308 2.122 0.958 0.674 0.778 0.667 CB 1.344 10 residues pruned to eliminate duplicates Z: 14 38.086 2.239 1.044 0.901 1.000 0.692 CB 1.648 14 residues pruned to eliminate duplicates Z: 46 37.400 2.246 0.946 0.454 0.911 0.556 CB 1.467 46 residues pruned to eliminate duplicates Z: 45 45.815 2.418 0.915 0.532 0.864 0.591 CB 1.673 45 residues pruned to eliminate duplicates Z: 45 44.825 2.425 0.958 0.459 0.818 0.591 CB 1.815 45 residues pruned to eliminate duplicates Z: 34 67.781 2.476 1.253 0.667 0.970 0.788 CB 1.869 34 residues pruned to eliminate duplicates Z: 14 34.660 2.187 0.911 0.905 1.000 0.692 CB 1.636 14 residues pruned to eliminate duplicates Z: 15 26.787 2.088 0.641 0.812 1.000 0.786 CB 1.593 15 residues pruned to eliminate duplicates Z: 23 38.955 2.218 0.926 0.595 1.000 0.591 CB 1.775 23 residues pruned to eliminate duplicates Z: 9 19.293 2.108 0.302 0.867 1.000 0.875 CB 1.818 9 residues pruned to eliminate duplicates Z: 65 45.522 2.250 0.920 0.385 0.891 0.609 CB 1.671 65 residues pruned to eliminate duplicates Z: 16 30.981 2.199 0.831 0.882 0.867 0.600 CB 1.659 16 residues pruned to eliminate duplicates Z: 15 26.800 2.098 0.652 0.862 1.000 0.786 CB 1.517 15 residues pruned to eliminate duplicates Z: 16 16.121 2.285 0.778 0.372 0.733 0.667 CB 1.601 16 residues pruned to eliminate duplicates Z: 9 16.620 1.925 0.488 0.900 1.000 1.000 CB 1.465 9 residues pruned to eliminate duplicates Z: 6 4.312 1.533 0.328 0.718 0.800 0.400 CB 0.972 6 residues pruned to eliminate duplicates Z: 28 22.669 2.264 0.765 0.374 0.815 0.481 CB 1.534 28 residues pruned to eliminate duplicates Z: 6 13.554 2.106 1.015 0.831 1.000 0.800 N 1.074 Z: 22 64.645 2.528 1.259 0.723 1.000 0.810 CB 2.021 22 residues pruned to eliminate duplicates Z: 16 45.440 2.357 1.193 0.805 0.933 0.800 CA 1.864 16 residues pruned to eliminate duplicates Z: 103 56.877 2.285 0.816 0.466 0.882 0.696 CB 1.593 107 residues pruned to eliminate duplicates Z: 13 10.786 1.923 0.407 0.463 0.833 0.583 CB 1.434 13 residues pruned to eliminate duplicates Z: 16 25.977 2.125 0.441 0.903 1.000 0.800 CB 1.561 16 residues pruned to eliminate duplicates Z: 22 30.526 2.425 0.983 0.550 0.905 0.619 CB 1.458 22 residues pruned to eliminate duplicates Z: 14 11.496 2.009 0.418 0.493 0.846 0.538 CB 1.333 14 residues pruned to eliminate duplicates Z: 13 29.620 2.411 0.363 0.941 1.000 0.917 CB 1.805 13 residues pruned to eliminate duplicates Z: 65 52.044 2.286 0.935 0.489 0.891 0.641 CB 1.671 65 residues pruned to eliminate duplicates Z: 17 35.845 2.374 1.314 0.595 0.875 0.812 CB 1.702 17 residues pruned to eliminate duplicates Z: 13 33.905 2.346 0.769 0.941 1.000 0.833 CB 1.637 13 residues pruned to eliminate duplicates Z: 13 9.979 1.933 0.445 0.448 0.833 0.833 CB 1.305 13 residues pruned to eliminate duplicates Z: 25 30.087 2.414 0.604 0.585 0.958 0.833 CB 1.526 25 residues pruned to eliminate duplicates Z: 66 42.313 2.260 0.931 0.394 0.862 0.569 CB 1.561 66 residues pruned to eliminate duplicates Z: 11 18.855 1.960 0.675 0.888 1.000 0.700 CB 1.309 11 residues pruned to eliminate duplicates Z: 12 25.617 1.892 0.799 0.940 1.000 1.000 CB 1.576 12 residues pruned to eliminate duplicates Z: 14 21.672 2.253 0.813 0.559 0.846 0.615 CA 1.642 14 residues pruned to eliminate duplicates Z: 21 43.278 2.399 0.825 0.655 1.000 0.750 CB 1.914 21 residues pruned to eliminate duplicates Z: 17 19.489 2.093 0.804 0.394 0.875 0.750 CB 1.650 17 residues pruned to eliminate duplicates Z: 57 35.606 2.236 0.797 0.375 0.875 0.536 CB 1.547 57 residues pruned to eliminate duplicates Z: 14 36.188 2.238 0.935 0.940 1.000 0.846 CB 1.609 14 residues pruned to eliminate duplicates Z: 61 57.743 2.405 0.786 0.564 0.950 0.633 CB 1.717 61 residues pruned to eliminate duplicates Z: 10 7.903 1.763 0.492 0.563 0.889 0.889 CB 1.060 10 residues pruned to eliminate duplicates Z: 21 33.216 2.335 0.708 0.674 1.000 0.800 CB 1.586 21 residues pruned to eliminate duplicates Z: 14 41.323 2.226 1.188 0.910 1.000 1.000 CB 1.669 14 residues pruned to eliminate duplicates Z: 29 22.435 2.298 0.803 0.334 0.786 0.571 CB 1.561 29 residues pruned to eliminate duplicates Z: 13 15.112 1.808 0.287 0.912 1.000 0.917 CA 1.327 13 residues pruned to eliminate duplicates Z: 20 24.346 2.350 1.191 0.339 0.895 0.579 CB 1.445 20 residues pruned to eliminate duplicates Z: 14 20.017 2.196 1.026 0.368 0.923 0.615 C 1.558 14 residues pruned to eliminate duplicates Z: 12 14.175 1.723 0.522 0.809 0.909 0.818 CB 1.369 12 residues pruned to eliminate duplicates Z: 39 40.467 2.294 0.656 0.508 0.947 0.553 CB 1.810 39 residues pruned to eliminate duplicates Z: 15 35.171 2.085 1.180 0.916 0.929 0.571 CB 1.573 14 residues pruned to eliminate duplicates Z: 14 20.763 2.231 0.195 0.906 1.000 0.769 CB 1.536 14 residues pruned to eliminate duplicates Z: 16 24.272 2.372 1.215 0.366 0.800 0.467 CB 1.721 16 residues pruned to eliminate duplicates Z: 17 23.526 2.194 0.339 0.782 1.000 0.812 CB 1.561 17 residues pruned to eliminate duplicates Z: 44 39.840 2.254 0.972 0.475 0.907 0.651 CB 1.546 44 residues pruned to eliminate duplicates Z: 19 14.236 2.113 0.605 0.361 0.833 0.500 CB 1.380 18 residues pruned to eliminate duplicates Z: 11 23.015 2.020 0.697 0.927 1.000 0.800 CB 1.488 11 residues pruned to eliminate duplicates Z: 53 40.124 2.224 0.839 0.427 0.923 0.673 CB 1.589 53 residues pruned to eliminate duplicates Z: 77 69.578 2.511 1.040 0.453 0.921 0.500 CB 1.776 77 residues pruned to eliminate duplicates Z: 7 8.485 1.668 0.956 0.520 0.833 0.667 CA 1.249 7 residues pruned to eliminate duplicates Z: 50 47.677 2.356 0.909 0.482 0.939 0.612 CB 1.643 69 residues pruned to eliminate duplicates Z: 46 42.005 2.355 0.726 0.467 0.911 0.444 CB 1.749 46 residues pruned to eliminate duplicates Z: 15 22.135 2.217 1.232 0.544 0.714 0.643 CB 1.603 15 residues pruned to eliminate duplicates Z: 9 11.222 1.923 0.625 0.557 1.000 0.375 CB 1.201 9 residues pruned to eliminate duplicates Z: 35 29.107 2.143 0.882 0.536 0.794 0.676 CB 1.505 35 residues pruned to eliminate duplicates Z: 7 8.067 2.058 0.409 0.653 0.667 0.333 CB 1.477 7 residues pruned to eliminate duplicates Z: 17 12.695 1.953 0.692 0.478 0.688 0.625 CB 1.429 17 residues pruned to eliminate duplicates Z: 11 18.718 2.173 1.001 0.574 0.900 0.700 CB 1.408 11 residues pruned to eliminate duplicates Z: 23 41.176 2.351 1.070 0.642 0.909 0.727 CB 1.737 23 residues pruned to eliminate duplicates Z: 65 46.851 2.402 1.017 0.393 0.797 0.531 CB 1.699 65 residues pruned to eliminate duplicates Z: 8 14.381 1.928 0.967 0.622 1.000 0.571 CB 1.278 8 residues pruned to eliminate duplicates Z: 23 35.030 2.354 0.665 0.630 0.955 0.727 CB 1.766 23 residues pruned to eliminate duplicates Z: 41 52.179 2.530 1.079 0.473 0.875 0.525 CB 1.843 41 residues pruned to eliminate duplicates Z: 21 16.336 2.208 0.673 0.265 0.750 0.450 CB 1.723 21 residues pruned to eliminate duplicates Z: 20 35.924 2.353 0.659 0.696 1.000 0.789 CB 1.765 20 residues pruned to eliminate duplicates Z: 93 63.889 2.321 0.978 0.502 0.902 0.663 CB 1.605 93 residues pruned to eliminate duplicates Z: 13 11.310 2.176 0.673 0.450 0.750 0.333 CB 1.258 13 residues pruned to eliminate duplicates Z: 8 6.682 1.920 0.519 0.304 1.000 0.714 CB 1.077 8 residues pruned to eliminate duplicates Z: 69 41.113 2.203 0.818 0.391 0.897 0.647 CB 1.559 69 residues pruned to eliminate duplicates Z: 6 8.063 1.848 0.592 0.755 0.800 0.600 CA 1.221 6 residues pruned to eliminate duplicates Z: 12 8.131 1.925 0.183 0.325 0.818 0.545 CA 1.594 Z: 14 5.853 1.539 0.412 0.432 0.846 0.308 CB 0.947 14 residues pruned to eliminate duplicates Z: 16 39.314 2.319 1.019 0.860 0.933 0.733 CB 1.709 16 residues pruned to eliminate duplicates Z: 9 7.258 1.874 0.613 0.418 1.000 0.750 CB 0.925 9 residues pruned to eliminate duplicates Z: 14 20.546 2.241 1.056 0.413 0.846 0.692 CB 1.600 14 residues pruned to eliminate duplicates Z: 55 36.002 2.283 0.802 0.395 0.833 0.519 CB 1.596 55 residues pruned to eliminate duplicates Z: 9 14.617 1.718 0.701 0.673 1.000 0.750 C 1.507 9 residues pruned to eliminate duplicates Z: 98 58.635 2.266 0.909 0.457 0.876 0.670 CB 1.641 98 residues pruned to eliminate duplicates Z: 41 46.251 2.454 0.931 0.456 0.900 0.575 CB 1.795 41 residues pruned to eliminate duplicates Z: 29 18.276 2.126 0.633 0.294 0.821 0.500 CB 1.526 29 residues pruned to eliminate duplicates Z: 6 4.005 1.643 0.086 0.421 1.000 0.800 CB 1.090 6 residues pruned to eliminate duplicates Z: 8 15.908 1.966 0.982 0.616 1.000 0.714 CB 1.382 8 residues pruned to eliminate duplicates Z: 48 44.056 2.262 0.975 0.434 0.936 0.660 CB 1.645 48 residues pruned to eliminate duplicates Z: 54 33.783 2.146 0.891 0.396 0.887 0.679 CB 1.438 54 residues pruned to eliminate duplicates Z: 65 43.271 2.210 0.946 0.431 0.859 0.609 CB 1.571 65 residues pruned to eliminate duplicates Z: 10 21.901 2.031 0.699 0.775 1.000 1.000 C 1.659 10 residues pruned to eliminate duplicates Z: 55 65.141 2.497 0.869 0.587 0.963 0.722 CB 1.815 55 residues pruned to eliminate duplicates Z: 31 24.191 2.057 0.837 0.342 0.967 0.633 CB 1.435 31 residues pruned to eliminate duplicates Z: 17 18.496 1.960 1.044 0.423 0.938 0.812 CB 1.334 17 residues pruned to eliminate duplicates Z: 11 19.710 1.955 0.786 0.828 0.900 0.600 CB 1.494 11 residues pruned to eliminate duplicates Z: 24 14.088 2.127 0.494 0.274 0.870 0.391 CB 1.373 24 residues pruned to eliminate duplicates Z: 19 35.024 2.386 1.034 0.487 0.889 0.556 CB 1.939 19 residues pruned to eliminate duplicates Z: 10 10.107 2.244 0.397 0.250 0.889 0.333 CA 1.612 10 residues pruned to eliminate duplicates Z: 61 36.148 2.091 0.824 0.431 0.883 0.600 CB 1.488 61 residues pruned to eliminate duplicates Z: 7 7.076 1.682 0.336 0.558 1.000 0.833 CB 1.215 7 residues pruned to eliminate duplicates Z: 57 51.472 2.438 0.820 0.460 0.929 0.589 CB 1.739 57 residues pruned to eliminate duplicates Z: 10 23.496 2.314 0.953 0.727 1.000 1.000 CB 1.412 10 residues pruned to eliminate duplicates Z: 12 20.095 2.062 0.913 0.558 1.000 0.818 CB 1.452 12 residues pruned to eliminate duplicates Z: 6 11.448 2.018 0.367 0.745 1.000 1.000 CB 1.490 6 residues pruned to eliminate duplicates Z: 21 30.968 2.288 0.465 0.714 1.000 0.850 CB 1.701 21 residues pruned to eliminate duplicates Z: 8 9.324 2.071 0.661 0.471 0.857 0.714 CB 1.231 8 residues pruned to eliminate duplicates Z: 15 18.215 2.147 0.791 0.530 0.786 0.643 CB 1.564 15 residues pruned to eliminate duplicates Z: 16 23.720 2.269 0.796 0.490 0.867 0.733 CB 1.752 12 residues pruned to eliminate duplicates Z: 26 45.390 2.456 0.883 0.634 0.960 0.680 CB 1.803 26 residues pruned to eliminate duplicates Z: 30 33.470 2.201 0.840 0.563 0.897 0.517 CB 1.611 30 residues pruned to eliminate duplicates Z: 14 21.677 2.227 1.443 0.379 0.846 0.769 CB 1.485 14 residues pruned to eliminate duplicates Z: 53 36.569 2.160 1.008 0.382 0.865 0.577 CB 1.532 53 residues pruned to eliminate duplicates Z: 8 6.174 2.087 0.333 0.229 0.714 0.429 CA 1.611 8 residues pruned to eliminate duplicates Z: 7 6.951 1.834 0.363 0.539 0.833 0.500 CB 1.312 7 residues pruned to eliminate duplicates Z: 57 57.835 2.412 0.907 0.578 0.911 0.571 CB 1.712 57 residues pruned to eliminate duplicates Z: 80 48.170 2.212 0.723 0.478 0.899 0.570 CB 1.618 80 residues pruned to eliminate duplicates Z: 10 17.525 2.011 0.549 0.914 1.000 0.778 CB 1.326 10 residues pruned to eliminate duplicates Z: 7 13.923 2.301 0.435 0.671 1.000 0.500 CB 1.470 7 residues pruned to eliminate duplicates Z: 75 50.913 2.240 0.940 0.459 0.878 0.635 CB 1.616 75 residues pruned to eliminate duplicates Z: 14 33.931 2.243 0.811 0.893 1.000 0.615 CB 1.663 14 residues pruned to eliminate duplicates Z: 7 4.586 1.630 0.865 0.293 1.000 0.667 CB 0.777 7 residues pruned to eliminate duplicates Z: 9 5.621 1.615 0.792 0.298 0.750 0.625 N 1.147 Z: 6 4.388 1.660 0.182 0.593 0.800 0.600 CA 1.144 6 residues pruned to eliminate duplicates Z: 31 41.307 2.302 0.866 0.536 0.967 0.567 CB 1.753 31 residues pruned to eliminate duplicates Z: 21 25.853 1.973 0.589 0.692 1.000 0.700 CB 1.547 21 residues pruned to eliminate duplicates Z: 23 35.940 2.295 1.186 0.613 0.864 0.682 CB 1.590 23 residues pruned to eliminate duplicates Z: 68 67.255 2.426 1.195 0.540 0.881 0.701 CB 1.685 68 residues pruned to eliminate duplicates Z: 10 16.435 2.521 0.892 0.377 0.778 0.667 CB 1.684 10 residues pruned to eliminate duplicates Z: 15 35.121 2.105 1.072 0.915 1.000 0.786 CB 1.521 15 residues pruned to eliminate duplicates Z: 36 38.927 2.220 0.970 0.541 0.943 0.714 CB 1.534 36 residues pruned to eliminate duplicates Z: 7 4.393 1.629 0.324 0.364 1.000 0.333 CB 0.963 7 residues pruned to eliminate duplicates Z: 25 28.630 2.189 0.773 0.636 0.875 0.333 CB 1.515 25 residues pruned to eliminate duplicates Z: 10 8.747 1.901 0.806 0.496 0.889 0.778 CB 0.959 10 residues pruned to eliminate duplicates Z: 9 18.557 2.406 0.909 0.491 0.875 0.750 CB 1.647 9 residues pruned to eliminate duplicates Z: 6 9.427 2.138 0.369 0.573 1.000 0.400 CA 1.342 6 residues pruned to eliminate duplicates Z: 14 39.548 2.227 1.076 0.947 1.000 0.923 CB 1.640 14 residues pruned to eliminate duplicates Z: 15 25.034 2.305 1.163 0.420 0.929 0.714 CB 1.571 15 residues pruned to eliminate duplicates Z: 6 3.149 1.122 0.379 0.688 0.800 0.600 N 0.958 6 residues pruned to eliminate duplicates Z: 6 5.435 1.845 0.127 0.731 0.800 0.600 CB 1.186 6 residues pruned to eliminate duplicates Z: 19 24.746 2.292 0.639 0.504 1.000 0.556 CB 1.546 19 residues pruned to eliminate duplicates Z: 27 43.897 2.417 0.925 0.624 0.962 0.538 CB 1.712 27 residues pruned to eliminate duplicates Z: 7 15.311 1.978 0.858 0.769 1.000 1.000 CA 1.341 7 residues pruned to eliminate duplicates Z: 13 10.150 2.091 0.717 0.437 0.833 0.667 CB 1.045 13 residues pruned to eliminate duplicates Z: 11 7.843 2.097 0.562 0.233 0.700 0.300 CB 1.475 11 residues pruned to eliminate duplicates Z: 7 7.397 2.008 0.239 0.653 0.833 0.833 CB 1.263 7 residues pruned to eliminate duplicates Z: 22 31.262 2.256 0.736 0.586 0.952 0.571 CB 1.684 22 residues pruned to eliminate duplicates Z: 6 5.165 1.951 0.418 0.442 0.800 0.400 CB 1.108 6 residues pruned to eliminate duplicates Z: 18 22.654 2.238 0.577 0.565 0.824 0.765 CB 1.774 18 residues pruned to eliminate duplicates Z: 8 4.541 1.545 0.423 0.444 0.714 0.714 N 1.158 Z: 7 10.894 1.777 0.635 0.645 1.000 0.500 CA 1.337 7 residues pruned to eliminate duplicates Z: 24 29.751 2.198 1.038 0.499 0.913 0.783 CB 1.519 24 residues pruned to eliminate duplicates Z: 36 42.486 2.491 0.737 0.515 0.971 0.657 CB 1.684 36 residues pruned to eliminate duplicates Z: 33 25.660 2.381 0.619 0.374 0.812 0.406 CB 1.657 33 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 4.684 2.154 0.263 0.278 0.600 0.200 CA 1.649 6 residues pruned to eliminate duplicates Z: 17 26.244 2.436 0.714 0.449 0.875 0.688 CA 1.892 16 residues pruned to eliminate duplicates Z: 6 10.972 2.563 0.209 0.377 1.000 0.400 CA 1.805 6 residues pruned to eliminate duplicates Z: 19 22.044 2.198 0.848 0.434 0.833 0.611 CB 1.644 19 residues pruned to eliminate duplicates Z: 92 52.203 2.277 0.874 0.433 0.857 0.604 CB 1.604 92 residues pruned to eliminate duplicates Z: 14 16.789 2.228 0.545 0.448 0.846 0.769 CB 1.686 15 residues pruned to eliminate duplicates Z: 8 11.887 2.158 0.522 0.391 1.000 0.714 CA 1.535 8 residues pruned to eliminate duplicates Z: 30 40.494 2.360 0.989 0.562 0.897 0.759 CB 1.682 46 residues pruned to eliminate duplicates Z: 26 32.004 2.383 1.014 0.382 0.840 0.640 CB 1.800 26 residues pruned to eliminate duplicates Z: 28 31.014 2.277 0.820 0.410 0.889 0.630 CB 1.781 28 residues pruned to eliminate duplicates Z: 44 57.961 2.554 1.022 0.486 0.884 0.674 CB 1.963 44 residues pruned to eliminate duplicates Z: 47 47.382 2.382 1.080 0.467 0.804 0.674 CB 1.813 47 residues pruned to eliminate duplicates Z: 26 28.366 2.408 0.770 0.409 0.840 0.640 CB 1.744 26 residues pruned to eliminate duplicates Z: 104 67.534 2.350 0.998 0.442 0.903 0.650 CB 1.666 104 residues pruned to eliminate duplicates Z: 13 23.362 2.195 1.266 0.495 0.917 0.667 CB 1.486 13 residues pruned to eliminate duplicates Z: 74 38.985 2.186 0.854 0.362 0.849 0.534 CB 1.538 74 residues pruned to eliminate duplicates Z: 84 63.694 2.351 1.008 0.481 0.892 0.663 CB 1.694 84 residues pruned to eliminate duplicates Z: 33 58.174 2.468 1.332 0.595 0.875 0.812 CB 1.865 33 residues pruned to eliminate duplicates Z: 18 21.931 2.380 0.905 0.342 0.824 0.588 CA 1.693 18 residues pruned to eliminate duplicates Z: 103 66.968 2.355 1.014 0.449 0.882 0.647 CB 1.670 103 residues pruned to eliminate duplicates Z: 22 35.044 2.269 1.104 0.504 0.952 0.667 CB 1.675 22 residues pruned to eliminate duplicates Z: 95 65.059 2.297 1.060 0.476 0.883 0.660 CB 1.646 95 residues pruned to eliminate duplicates Z: 55 60.552 2.398 1.192 0.536 0.889 0.574 CB 1.703 55 residues pruned to eliminate duplicates Z: 66 55.515 2.406 0.793 0.464 0.862 0.631 CB 1.923 66 residues pruned to eliminate duplicates Z: 17 42.671 2.595 1.498 0.518 0.938 0.688 CB 1.724 17 residues pruned to eliminate duplicates Z: 116 67.628 2.360 0.894 0.440 0.878 0.626 CB 1.709 116 residues pruned to eliminate duplicates Z: 140 82.358 2.392 0.929 0.461 0.914 0.576 CB 1.724 140 residues pruned to eliminate duplicates Z: 24 31.095 2.273 0.809 0.559 0.913 0.696 CB 1.632 24 residues pruned to eliminate duplicates Z: 15 49.282 2.594 0.957 0.818 0.929 0.786 CB 2.120 15 residues pruned to eliminate duplicates Z: 17 46.836 2.398 1.292 0.709 0.875 0.688 CA 2.014 17 residues pruned to eliminate duplicates Z: 53 55.367 2.407 0.997 0.531 0.904 0.596 CB 1.714 53 residues pruned to eliminate duplicates Z: 16 52.191 2.557 1.329 0.787 0.867 0.800 CB 2.028 16 residues pruned to eliminate duplicates Z: 103 57.511 2.274 0.883 0.444 0.892 0.608 CB 1.579 103 residues pruned to eliminate duplicates Z: 65 50.610 2.307 0.928 0.480 0.875 0.688 CB 1.659 65 residues pruned to eliminate duplicates Z: 22 53.174 2.482 1.328 0.628 0.905 0.714 CA 1.968 22 residues pruned to eliminate duplicates Z: 15 55.230 2.574 1.214 0.830 0.929 0.643 CB 2.098 15 residues pruned to eliminate duplicates Z: 17 30.410 2.172 1.003 0.620 0.938 0.500 CB 1.665 17 residues pruned to eliminate duplicates Z: 21 39.176 2.284 1.283 0.522 0.900 0.600 CB 1.825 21 residues pruned to eliminate duplicates Z: 51 51.556 2.357 1.008 0.514 0.920 0.600 CB 1.651 51 residues pruned to eliminate duplicates Z: 62 54.783 2.291 1.040 0.485 0.934 0.623 CB 1.630 62 residues pruned to eliminate duplicates Z: 13 11.752 1.995 0.969 0.174 0.833 0.417 CA 1.538 13 residues pruned to eliminate duplicates Z: 24 39.714 2.449 1.030 0.497 0.913 0.609 CB 1.829 24 residues pruned to eliminate duplicates Z: 47 37.440 2.198 0.879 0.407 0.935 0.630 CB 1.576 47 residues pruned to eliminate duplicates Z: 84 52.306 2.253 0.936 0.437 0.892 0.590 CB 1.575 84 residues pruned to eliminate duplicates Z: 54 55.276 2.374 1.053 0.541 0.906 0.623 CB 1.653 54 residues pruned to eliminate duplicates Z: 49 37.539 2.201 0.846 0.415 0.938 0.542 CB 1.556 49 residues pruned to eliminate duplicates Z: 9 10.505 2.324 0.668 0.359 0.750 0.625 CB 1.487 9 residues pruned to eliminate duplicates Z: 17 15.281 2.390 0.909 0.353 0.625 0.562 CA 1.571 17 residues pruned to eliminate duplicates Z: 18 17.871 2.359 1.107 0.326 0.647 0.529 CA 1.632 18 residues pruned to eliminate duplicates Z: 10 8.783 2.200 0.773 0.390 0.556 0.444 CA 1.518 10 residues pruned to eliminate duplicates Z: 8 23.342 2.509 1.025 0.527 0.857 0.571 CA 1.973 8 residues pruned to eliminate duplicates Z: 11 13.062 2.200 0.882 0.398 0.700 0.600 CA 1.588 11 residues pruned to eliminate duplicates Z: 78 67.331 2.492 0.875 0.494 0.922 0.662 CB 1.791 72 residues pruned to eliminate duplicates Z: 7 3.278 1.547 0.254 0.384 0.833 0.167 CA 0.936 Z: 7 20.523 2.392 0.961 0.466 1.000 1.000 CB 1.848 Z: 6 6.013 1.557 1.110 0.365 0.800 0.600 N 1.183 Z: 6 8.738 2.173 0.783 0.366 0.800 0.200 CA 1.455 Z: 6 8.091 2.150 0.633 0.323 1.000 0.200 CA 1.252 Z: 7 4.589 1.755 0.344 0.308 0.667 0.333 C 1.475 7 residues pruned to eliminate duplicates Z: 65 47.018 2.412 0.848 0.423 0.844 0.531 CB 1.694 65 residues pruned to eliminate duplicates Z: 44 35.770 2.374 0.634 0.486 0.860 0.512 CB 1.657 44 residues pruned to eliminate duplicates Z: 79 64.801 2.438 0.876 0.491 0.923 0.628 CB 1.754 79 residues pruned to eliminate duplicates Z: 64 52.502 2.409 0.717 0.527 0.921 0.619 CB 1.692 64 residues pruned to eliminate duplicates Z: 36 36.173 2.353 0.512 0.537 0.914 0.486 CB 1.812 36 residues pruned to eliminate duplicates Z: 59 51.308 2.458 0.842 0.499 0.862 0.621 CB 1.727 59 residues pruned to eliminate duplicates Z: 44 45.378 2.444 0.790 0.514 0.884 0.512 CB 1.765 44 residues pruned to eliminate duplicates Z: 47 42.124 2.424 0.686 0.466 0.913 0.500 CB 1.722 47 residues pruned to eliminate duplicates Z: 56 64.328 2.511 0.769 0.592 0.982 0.709 CB 1.821 56 residues pruned to eliminate duplicates Z: 51 50.151 2.468 0.869 0.525 0.840 0.600 CB 1.785 51 residues pruned to eliminate duplicates Z: 71 67.002 2.517 0.906 0.530 0.914 0.643 CB 1.773 71 residues pruned to eliminate duplicates Z: 30 39.419 2.384 0.552 0.614 0.966 0.724 CB 1.839 30 residues pruned to eliminate duplicates Z: 40 35.874 2.321 0.610 0.497 0.923 0.564 CB 1.670 40 residues pruned to eliminate duplicates Z: 28 42.959 2.440 0.650 0.623 0.963 0.741 CB 1.899 28 residues pruned to eliminate duplicates Z: 56 59.109 2.453 0.778 0.569 0.964 0.636 CB 1.773 56 residues pruned to eliminate duplicates Z: 37 46.179 2.461 0.644 0.540 1.000 0.639 CB 1.828 37 residues pruned to eliminate duplicates Z: 30 40.575 2.368 0.818 0.635 0.931 0.690 CB 1.656 30 residues pruned to eliminate duplicates Z: 43 41.764 2.360 0.725 0.487 0.952 0.619 CB 1.683 43 residues pruned to eliminate duplicates Z: 76 46.270 2.293 0.692 0.481 0.853 0.587 CB 1.644 76 residues pruned to eliminate duplicates Z: 31 42.206 2.408 0.765 0.583 0.933 0.633 CB 1.793 31 residues pruned to eliminate duplicates Z: 31 42.654 2.328 0.734 0.616 0.967 0.467 CB 1.789 31 residues pruned to eliminate duplicates Z: 55 46.975 2.386 0.864 0.439 0.889 0.556 CB 1.723 55 residues pruned to eliminate duplicates Z: 30 44.964 2.374 0.738 0.624 0.966 0.655 CB 1.865 30 residues pruned to eliminate duplicates Z: 31 37.395 2.291 0.723 0.602 0.933 0.700 CB 1.682 31 residues pruned to eliminate duplicates Z: 37 38.125 2.284 0.727 0.533 0.944 0.639 CB 1.651 37 residues pruned to eliminate duplicates Z: 57 63.036 2.448 0.889 0.563 0.964 0.679 CB 1.777 57 residues pruned to eliminate duplicates Z: 36 37.530 2.337 0.756 0.547 0.886 0.457 CB 1.667 36 residues pruned to eliminate duplicates Z: 33 40.613 2.268 0.783 0.560 0.969 0.438 CB 1.729 33 residues pruned to eliminate duplicates Z: 61 47.194 2.393 0.928 0.463 0.833 0.583 CB 1.646 61 residues pruned to eliminate duplicates Z: 33 36.354 2.355 0.701 0.573 0.875 0.562 CB 1.709 33 residues pruned to eliminate duplicates Z: 56 66.689 2.512 0.996 0.579 0.927 0.673 CB 1.792 56 residues pruned to eliminate duplicates Z: 79 65.518 2.466 0.919 0.504 0.910 0.603 CB 1.716 79 residues pruned to eliminate duplicates Z: 88 65.452 2.484 0.942 0.479 0.874 0.632 CB 1.701 88 residues pruned to eliminate duplicates Z: 56 60.470 2.492 0.862 0.572 0.927 0.673 CB 1.768 56 residues pruned to eliminate duplicates Z: 77 51.346 2.357 0.830 0.466 0.908 0.513 CB 1.557 77 residues pruned to eliminate duplicates Z: 11 27.806 2.589 1.343 0.320 1.000 0.800 CB 1.769 11 residues pruned to eliminate duplicates Z: 56 61.491 2.471 0.896 0.585 0.927 0.618 CB 1.760 56 residues pruned to eliminate duplicates Z: 59 56.715 2.496 0.886 0.499 0.914 0.569 CB 1.734 59 residues pruned to eliminate duplicates Z: 37 51.127 2.494 0.865 0.579 0.944 0.611 CB 1.797 37 residues pruned to eliminate duplicates Z: 53 46.651 2.350 0.807 0.512 0.923 0.577 CB 1.630 53 residues pruned to eliminate duplicates Z: 76 66.820 2.439 0.999 0.497 0.920 0.667 CB 1.725 101 residues pruned to eliminate duplicates Z: 6 2.842 1.968 0.512 0.292 0.600 0.400 CB 0.899 6 residues pruned to eliminate duplicates Z: 31 44.766 2.484 0.884 0.531 0.967 0.733 CB 1.751 31 residues pruned to eliminate duplicates Z: 77 63.282 2.465 0.934 0.499 0.895 0.553 CB 1.703 78 residues pruned to eliminate duplicates Z: 7 12.399 1.962 0.944 0.312 1.000 0.500 C 1.635 7 residues pruned to eliminate duplicates Z: 20 40.549 2.422 0.966 0.645 1.000 0.789 CB 1.707 20 residues pruned to eliminate duplicates Z: 18 32.230 2.231 0.620 0.742 1.000 0.706 CA 1.741 18 residues pruned to eliminate duplicates Z: 61 60.037 2.486 0.809 0.571 0.933 0.650 CB 1.723 61 residues pruned to eliminate duplicates Z: 35 36.731 2.358 0.788 0.493 0.941 0.765 CB 1.599 35 residues pruned to eliminate duplicates Z: 20 37.237 2.476 0.858 0.674 0.895 0.632 CB 1.768 20 residues pruned to eliminate duplicates Z: 56 63.451 2.480 0.870 0.577 0.964 0.709 CB 1.777 56 residues pruned to eliminate duplicates Z: 78 65.970 2.466 0.897 0.521 0.909 0.623 CB 1.732 78 residues pruned to eliminate duplicates Z: 72 68.720 2.528 0.969 0.527 0.901 0.648 CB 1.769 72 residues pruned to eliminate duplicates Z: 14 31.214 2.238 0.664 0.928 1.000 0.846 CB 1.628 14 residues pruned to eliminate duplicates Z: 22 31.578 2.288 0.904 0.604 0.905 0.667 CB 1.582 22 residues pruned to eliminate duplicates Z: 33 44.104 2.408 1.126 0.511 0.938 0.625 CB 1.607 33 residues pruned to eliminate duplicates Z: 62 67.101 2.396 0.986 0.554 0.984 0.607 CB 1.741 62 residues pruned to eliminate duplicates Z: 31 41.636 2.456 0.999 0.533 0.900 0.633 CB 1.665 31 residues pruned to eliminate duplicates Z: 32 40.926 2.401 1.004 0.519 0.935 0.645 CB 1.602 32 residues pruned to eliminate duplicates Z: 17 20.934 2.208 0.658 0.435 0.875 0.750 CA 1.747 17 residues pruned to eliminate duplicates Z: 27 14.337 1.910 0.458 0.312 0.808 0.462 CB 1.538 27 residues pruned to eliminate duplicates Z: 7 6.527 1.946 0.330 0.424 0.833 0.667 CB 1.337 7 residues pruned to eliminate duplicates Z: 17 16.302 2.080 0.776 0.370 0.750 0.750 CB 1.690 17 residues pruned to eliminate duplicates Z: 26 17.365 2.016 0.460 0.419 0.840 0.560 CA 1.529 26 residues pruned to eliminate duplicates Z: 16 16.786 2.143 0.715 0.456 0.800 0.733 CA 1.542 16 residues pruned to eliminate duplicates Z: 23 14.015 1.937 0.441 0.417 0.818 0.545 CB 1.428 23 residues pruned to eliminate duplicates Z: 18 17.946 2.078 0.887 0.340 0.824 0.647 CA 1.605 18 residues pruned to eliminate duplicates Z: 19 17.542 1.998 0.751 0.408 0.889 0.722 CA 1.464 19 residues pruned to eliminate duplicates Z: 15 12.230 1.982 0.507 0.470 0.786 0.500 CA 1.436 15 residues pruned to eliminate duplicates Z: 17 11.696 1.815 0.521 0.421 0.938 0.500 CB 1.226 17 residues pruned to eliminate duplicates Z: 13 10.141 1.898 0.565 0.477 0.833 0.583 CB 1.210 13 residues pruned to eliminate duplicates Z: 11 10.223 1.840 0.600 0.510 0.900 0.600 CB 1.208 11 residues pruned to eliminate duplicates Z: 10 9.409 1.904 0.514 0.495 0.889 0.778 CB 1.230 10 residues pruned to eliminate duplicates Z: 12 12.833 2.061 0.441 0.475 0.909 0.545 CB 1.470 12 residues pruned to eliminate duplicates Z: 19 12.900 1.863 0.599 0.502 0.778 0.500 CB 1.310 19 residues pruned to eliminate duplicates Z: 14 10.035 1.911 0.507 0.392 0.846 0.615 CB 1.281 14 residues pruned to eliminate duplicates Z: 6 5.215 1.951 0.121 0.437 0.800 0.400 CA 1.423 6 residues pruned to eliminate duplicates Z: 23 14.179 1.975 0.471 0.435 0.818 0.500 CB 1.361 23 residues pruned to eliminate duplicates Z: 14 10.446 1.886 0.432 0.437 0.846 0.538 CB 1.353 14 residues pruned to eliminate duplicates Z: 33 39.516 2.206 0.846 0.605 1.000 0.719 CB 1.552 33 residues pruned to eliminate duplicates Z: 12 30.690 2.272 1.335 0.674 1.000 0.818 CB 1.485 12 residues pruned to eliminate duplicates Z: 9 12.813 2.191 0.902 0.569 0.875 0.875 CB 1.162 9 residues pruned to eliminate duplicates Z: 19 11.856 2.016 0.748 0.431 0.889 0.611 CB 0.959 19 residues pruned to eliminate duplicates Z: 17 24.218 2.376 0.793 0.451 0.938 0.688 CB 1.593 17 residues pruned to eliminate duplicates Z: 25 22.808 2.142 0.799 0.384 0.833 0.667 CB 1.639 25 residues pruned to eliminate duplicates Z: 18 29.254 2.268 1.015 0.579 0.882 0.824 CB 1.631 18 residues pruned to eliminate duplicates Z: 13 17.097 2.082 1.252 0.535 0.833 0.750 CB 1.221 13 residues pruned to eliminate duplicates Z: 11 19.255 2.185 1.111 0.620 0.900 0.800 CB 1.310 11 residues pruned to eliminate duplicates Z: 33 34.118 2.134 0.868 0.600 0.906 0.750 CB 1.519 33 residues pruned to eliminate duplicates Z: 29 28.936 2.211 0.816 0.548 0.929 0.714 CB 1.399 29 residues pruned to eliminate duplicates Z: 88 52.406 2.254 0.818 0.451 0.897 0.621 CB 1.607 88 residues pruned to eliminate duplicates Z: 88 42.322 2.180 0.657 0.425 0.874 0.506 CB 1.555 88 residues pruned to eliminate duplicates Z: 69 49.157 2.275 0.856 0.517 0.868 0.647 CB 1.599 69 residues pruned to eliminate duplicates Z: 21 35.512 2.228 0.820 0.694 0.950 0.750 CB 1.727 21 residues pruned to eliminate duplicates Z: 22 31.236 2.167 0.901 0.634 0.905 0.667 CB 1.612 22 residues pruned to eliminate duplicates Z: 32 42.708 2.284 0.969 0.643 0.935 0.806 CB 1.595 32 residues pruned to eliminate duplicates Z: 17 24.775 2.184 0.449 0.705 0.938 0.688 CB 1.733 17 residues pruned to eliminate duplicates Z: 23 25.843 2.168 0.577 0.684 0.909 0.773 CB 1.497 23 residues pruned to eliminate duplicates Z: 71 43.669 2.245 0.714 0.465 0.900 0.571 CB 1.562 71 residues pruned to eliminate duplicates Z: 17 14.905 2.064 0.280 0.651 0.875 0.562 CB 1.400 17 residues pruned to eliminate duplicates Z: 32 38.092 2.202 0.872 0.653 0.935 0.839 CB 1.539 32 residues pruned to eliminate duplicates Z: 64 43.737 2.219 0.744 0.491 0.905 0.635 CB 1.589 64 residues pruned to eliminate duplicates Z: 92 53.251 2.296 0.773 0.464 0.890 0.615 CB 1.599 92 residues pruned to eliminate duplicates Z: 78 49.635 2.245 0.788 0.454 0.896 0.584 CB 1.648 78 residues pruned to eliminate duplicates Z: 82 57.823 2.261 0.874 0.515 0.914 0.667 CB 1.635 82 residues pruned to eliminate duplicates Z: 32 42.337 2.234 1.135 0.662 0.871 0.839 CB 1.574 32 residues pruned to eliminate duplicates Z: 23 24.600 2.154 0.902 0.586 0.864 0.636 CB 1.364 23 residues pruned to eliminate duplicates Z: 24 30.836 2.146 0.915 0.644 0.913 0.652 CB 1.499 24 residues pruned to eliminate duplicates Z: 22 39.886 2.178 1.043 0.726 1.000 0.762 CB 1.596 22 residues pruned to eliminate duplicates Z: 86 50.203 2.259 0.719 0.471 0.894 0.624 CB 1.615 86 residues pruned to eliminate duplicates Z: 129 67.381 2.295 0.882 0.451 0.891 0.586 CB 1.628 66 residues pruned to eliminate duplicates Z: 6 3.146 1.519 0.862 0.100 0.800 0.200 CB 1.036 6 residues pruned to eliminate duplicates Z: 79 44.123 2.262 0.782 0.386 0.859 0.551 CB 1.629 79 residues pruned to eliminate duplicates Z: 68 44.294 2.327 0.779 0.396 0.896 0.537 CB 1.628 68 residues pruned to eliminate duplicates Z: 65 43.715 2.297 0.801 0.407 0.891 0.609 CB 1.635 56 residues pruned to eliminate duplicates Z: 7 9.274 1.677 1.366 0.513 0.833 0.500 N 1.130 7 residues pruned to eliminate duplicates Z: 80 46.273 2.264 0.847 0.406 0.848 0.608 CB 1.621 80 residues pruned to eliminate duplicates Z: 87 42.393 2.212 0.783 0.392 0.872 0.500 CB 1.490 87 residues pruned to eliminate duplicates Z: 53 41.818 2.290 0.806 0.417 0.904 0.577 CB 1.691 53 residues pruned to eliminate duplicates Z: 94 58.099 2.296 0.902 0.465 0.871 0.548 CB 1.640 85 residues pruned to eliminate duplicates Z: 8 12.279 2.048 0.720 0.772 1.000 0.714 CA 1.036 8 residues pruned to eliminate duplicates Z: 53 42.177 2.321 0.869 0.414 0.885 0.596 CB 1.668 53 residues pruned to eliminate duplicates Z: 73 40.900 2.254 0.848 0.376 0.847 0.569 CB 1.559 73 residues pruned to eliminate duplicates Z: 47 49.835 2.287 1.027 0.573 0.891 0.587 CB 1.659 47 residues pruned to eliminate duplicates Z: 56 38.306 2.258 0.816 0.375 0.909 0.564 CB 1.583 56 residues pruned to eliminate duplicates Z: 52 43.024 2.323 0.871 0.406 0.922 0.627 CB 1.661 52 residues pruned to eliminate duplicates Z: 80 49.065 2.248 0.844 0.445 0.899 0.570 CB 1.568 80 residues pruned to eliminate duplicates Z: 49 39.331 2.264 0.826 0.429 0.896 0.688 CB 1.651 49 residues pruned to eliminate duplicates Z: 67 46.835 2.224 0.798 0.477 0.909 0.606 CB 1.623 67 residues pruned to eliminate duplicates Z: 68 52.022 2.276 0.920 0.495 0.925 0.642 CB 1.579 68 residues pruned to eliminate duplicates Z: 85 49.263 2.258 0.836 0.427 0.893 0.631 CB 1.566 85 residues pruned to eliminate duplicates Z: 79 48.012 2.273 0.742 0.412 0.910 0.628 CB 1.655 79 residues pruned to eliminate duplicates Z: 68 45.578 2.311 0.921 0.392 0.881 0.597 CB 1.596 68 residues pruned to eliminate duplicates Z: 54 43.773 2.315 0.931 0.392 0.925 0.604 CB 1.631 54 residues pruned to eliminate duplicates Z: 72 49.836 2.292 0.852 0.430 0.915 0.662 CB 1.637 72 residues pruned to eliminate duplicates Z: 75 46.626 2.308 0.762 0.403 0.878 0.541 CB 1.682 75 residues pruned to eliminate duplicates Z: 84 56.151 2.248 0.948 0.429 0.928 0.578 CB 1.632 84 residues pruned to eliminate duplicates Z: 81 50.590 2.256 0.886 0.426 0.900 0.613 CB 1.595 81 residues pruned to eliminate duplicates Z: 42 35.052 2.203 0.942 0.409 0.902 0.561 CB 1.560 42 residues pruned to eliminate duplicates Z: 70 42.874 2.287 0.869 0.378 0.870 0.609 CB 1.583 70 residues pruned to eliminate duplicates Z: 98 48.462 2.237 0.847 0.420 0.856 0.598 CB 1.512 98 residues pruned to eliminate duplicates Z: 53 44.931 2.314 1.031 0.387 0.904 0.596 CB 1.653 53 residues pruned to eliminate duplicates Z: 72 45.534 2.312 0.897 0.372 0.901 0.549 CB 1.567 72 residues pruned to eliminate duplicates Z: 59 48.417 2.356 0.898 0.419 0.914 0.552 CB 1.692 59 residues pruned to eliminate duplicates Z: 64 42.947 2.225 0.860 0.413 0.889 0.556 CB 1.611 64 residues pruned to eliminate duplicates Z: 69 43.533 2.312 0.856 0.394 0.853 0.618 CB 1.614 69 residues pruned to eliminate duplicates Z: 76 38.180 2.244 0.759 0.373 0.840 0.573 CB 1.524 76 residues pruned to eliminate duplicates Z: 52 35.003 2.248 0.838 0.362 0.902 0.569 CB 1.527 52 residues pruned to eliminate duplicates Z: 38 24.349 2.226 0.870 0.260 0.838 0.486 CB 1.510 38 residues pruned to eliminate duplicates Z: 36 24.873 2.262 0.731 0.341 0.829 0.657 CB 1.542 36 residues pruned to eliminate duplicates Z: 14 13.494 1.929 0.543 0.294 1.000 0.769 CB 1.584 14 residues pruned to eliminate duplicates Z: 59 43.418 2.313 0.766 0.432 0.897 0.638 CB 1.671 59 residues pruned to eliminate duplicates Z: 50 41.845 2.268 0.979 0.429 0.878 0.571 CB 1.633 50 residues pruned to eliminate duplicates Z: 96 61.774 2.305 0.991 0.438 0.905 0.674 CB 1.626 96 residues pruned to eliminate duplicates Z: 83 46.953 2.267 0.882 0.398 0.878 0.585 CB 1.542 83 residues pruned to eliminate duplicates Z: 78 51.225 2.267 0.925 0.450 0.883 0.532 CB 1.595 78 residues pruned to eliminate duplicates Z: 61 49.590 2.346 0.982 0.408 0.917 0.600 CB 1.653 61 residues pruned to eliminate duplicates Z: 29 21.334 2.197 0.728 0.327 0.857 0.464 CB 1.498 29 residues pruned to eliminate duplicates Z: 35 25.442 2.278 0.804 0.312 0.853 0.588 CB 1.532 35 residues pruned to eliminate duplicates Z: 79 55.079 2.296 0.915 0.488 0.897 0.628 CB 1.599 79 residues pruned to eliminate duplicates Z: 78 51.575 2.299 0.922 0.458 0.857 0.519 CB 1.621 78 residues pruned to eliminate duplicates Z: 96 57.722 2.276 0.949 0.454 0.884 0.684 CB 1.582 96 residues pruned to eliminate duplicates Z: 68 45.911 2.301 0.926 0.385 0.896 0.597 CB 1.597 68 residues pruned to eliminate duplicates Z: 20 14.903 2.091 0.816 0.328 0.789 0.579 CB 1.378 20 residues pruned to eliminate duplicates Z: 69 41.801 2.297 0.893 0.359 0.868 0.544 CB 1.564 69 residues pruned to eliminate duplicates Z: 17 15.303 2.231 0.784 0.387 0.750 0.500 CB 1.445 17 residues pruned to eliminate duplicates Z: 100 54.483 2.246 0.961 0.413 0.848 0.576 CB 1.605 100 residues pruned to eliminate duplicates Z: 64 43.358 2.303 0.851 0.401 0.857 0.603 CB 1.659 64 residues pruned to eliminate duplicates Z: 61 47.919 2.339 0.846 0.405 0.900 0.567 CB 1.759 61 residues pruned to eliminate duplicates Z: 27 30.884 2.386 1.027 0.333 0.846 0.423 CB 1.777 27 residues pruned to eliminate duplicates Z: 49 60.277 2.556 0.919 0.526 0.896 0.562 CB 1.930 49 residues pruned to eliminate duplicates Z: 79 67.845 2.490 0.945 0.530 0.872 0.654 CB 1.767 79 residues pruned to eliminate duplicates Z: 24 35.006 2.397 1.196 0.368 0.870 0.478 CB 1.838 24 residues pruned to eliminate duplicates Z: 85 54.213 2.351 0.946 0.384 0.869 0.512 CB 1.683 73 residues pruned to eliminate duplicates Z: 7 5.220 1.531 0.220 0.506 1.000 0.333 CB 1.135 7 residues pruned to eliminate duplicates Z: 116 65.492 2.270 0.901 0.436 0.913 0.522 CB 1.656 116 residues pruned to eliminate duplicates Z: 27 30.568 2.446 0.935 0.372 0.808 0.462 CB 1.799 27 residues pruned to eliminate duplicates Z: 49 54.503 2.476 0.903 0.495 0.896 0.583 CB 1.874 49 residues pruned to eliminate duplicates Z: 49 50.794 2.453 0.903 0.475 0.875 0.542 CB 1.841 49 residues pruned to eliminate duplicates Z: 26 24.967 2.452 0.913 0.270 0.760 0.440 CB 1.819 26 residues pruned to eliminate duplicates Z: 60 63.723 2.524 0.972 0.495 0.932 0.559 CB 1.797 27 residues pruned to eliminate duplicates Z: 6 11.984 2.219 1.350 0.294 1.000 0.400 CA 1.294 6 residues pruned to eliminate duplicates Z: 25 33.818 2.514 1.106 0.357 0.833 0.458 CB 1.826 25 residues pruned to eliminate duplicates Z: 23 23.497 2.329 0.741 0.419 0.773 0.500 CA 1.741 23 residues pruned to eliminate duplicates Z: 50 59.161 2.509 0.949 0.524 0.898 0.531 CB 1.880 50 residues pruned to eliminate duplicates Z: 77 70.217 2.537 0.920 0.531 0.895 0.592 CB 1.792 58 residues pruned to eliminate duplicates Z: 6 6.292 1.740 0.859 0.476 1.000 0.600 CB 0.891 6 residues pruned to eliminate duplicates Z: 54 52.365 2.381 0.957 0.492 0.925 0.528 CB 1.683 22 residues pruned to eliminate duplicates Z: 6 6.415 1.817 0.293 0.416 1.000 0.400 CA 1.332 6 residues pruned to eliminate duplicates Z: 56 62.925 2.515 0.835 0.596 0.964 0.709 CB 1.740 56 residues pruned to eliminate duplicates Z: 28 51.568 2.496 0.895 0.667 0.963 0.593 CB 1.867 28 residues pruned to eliminate duplicates Z: 80 59.248 2.447 0.791 0.502 0.873 0.557 CB 1.739 80 residues pruned to eliminate duplicates Z: 37 55.843 2.486 0.921 0.561 1.000 0.583 CB 1.836 37 residues pruned to eliminate duplicates Z: 44 43.872 2.436 0.849 0.487 0.884 0.581 CB 1.703 44 residues pruned to eliminate duplicates Z: 102 71.323 2.441 0.859 0.471 0.921 0.564 CB 1.748 75 residues pruned to eliminate duplicates Z: 19 39.979 2.289 0.862 0.782 0.944 0.778 CB 1.826 19 residues pruned to eliminate duplicates Z: 29 48.927 2.438 0.913 0.638 1.000 0.571 CB 1.741 29 residues pruned to eliminate duplicates Z: 38 42.660 2.515 0.797 0.546 0.838 0.568 CB 1.771 38 residues pruned to eliminate duplicates Z: 151 80.126 2.369 0.947 0.458 0.887 0.593 CB 1.669 151 residues pruned to eliminate duplicates Z: 56 69.413 2.544 0.935 0.604 0.964 0.691 CB 1.788 56 residues pruned to eliminate duplicates Z: 30 51.864 2.459 0.984 0.619 1.000 0.655 CB 1.764 30 residues pruned to eliminate duplicates Z: 65 61.547 2.421 0.874 0.545 0.938 0.594 CB 1.730 65 residues pruned to eliminate duplicates Z: 17 44.510 2.336 1.081 0.890 0.938 0.625 CB 1.756 17 residues pruned to eliminate duplicates Z: 58 61.958 2.438 0.923 0.575 0.965 0.526 CB 1.688 58 residues pruned to eliminate duplicates Z: 59 61.588 2.454 0.953 0.585 0.931 0.534 CB 1.671 59 residues pruned to eliminate duplicates Z: 56 62.721 2.493 0.807 0.598 0.982 0.618 CB 1.740 56 residues pruned to eliminate duplicates Z: 30 49.186 2.432 1.032 0.625 0.931 0.586 CB 1.764 30 residues pruned to eliminate duplicates Z: 49 44.219 2.491 0.892 0.470 0.833 0.417 CB 1.674 49 residues pruned to eliminate duplicates Z: 56 60.264 2.485 0.810 0.590 0.964 0.582 CB 1.721 56 residues pruned to eliminate duplicates Z: 86 77.138 2.446 1.043 0.522 0.953 0.541 CB 1.718 86 residues pruned to eliminate duplicates Z: 59 58.474 2.553 0.992 0.479 0.862 0.569 CB 1.789 59 residues pruned to eliminate duplicates Z: 57 65.618 2.491 0.933 0.588 0.964 0.607 CB 1.735 57 residues pruned to eliminate duplicates Z: 57 69.115 2.504 0.969 0.604 0.982 0.661 CB 1.727 57 residues pruned to eliminate duplicates Z: 7 16.282 2.240 0.807 0.540 1.000 0.500 CA 1.579 Z: 6 7.804 1.862 0.993 0.332 0.800 0.200 CB 1.412 4 residues pruned to eliminate duplicates Z: 6 9.194 2.194 0.888 0.334 0.800 0.400 CA 1.487 5 residues pruned to eliminate duplicates Z: 7 4.177 1.763 0.598 0.236 0.667 0.667 CB 1.232 Z: 6 2.677 1.321 -0.052 0.468 1.000 0.800 N 0.988 5 residues pruned to eliminate duplicates Z: 6 8.610 1.803 1.254 0.416 1.000 0.800 CA 1.034 6 residues pruned to eliminate duplicates Z: 65 56.009 2.439 0.890 0.511 0.906 0.609 CB 1.658 83 residues pruned to eliminate duplicates Z: 24 29.418 2.224 0.702 0.609 0.957 0.783 CB 1.528 24 residues pruned to eliminate duplicates Z: 19 25.482 2.145 0.430 0.726 1.000 0.778 CB 1.598 19 residues pruned to eliminate duplicates Z: 21 31.544 2.355 0.688 0.643 0.950 0.750 CB 1.634 21 residues pruned to eliminate duplicates Z: 21 29.603 2.320 0.660 0.659 0.950 0.700 CB 1.561 21 residues pruned to eliminate duplicates Z: 20 37.110 2.399 0.876 0.682 1.000 0.842 CB 1.600 21 residues pruned to eliminate duplicates Z: 15 26.500 2.113 0.601 0.887 1.000 0.714 CB 1.509 15 residues pruned to eliminate duplicates Z: 21 37.671 2.393 0.922 0.681 0.950 0.800 CB 1.632 21 residues pruned to eliminate duplicates Z: 30 41.290 2.386 1.002 0.562 0.931 0.690 CB 1.624 30 residues pruned to eliminate duplicates Z: 31 45.959 2.486 1.099 0.540 0.967 0.767 CB 1.600 31 residues pruned to eliminate duplicates Z: 14 36.013 2.258 0.892 0.937 1.000 1.000 CB 1.627 14 residues pruned to eliminate duplicates Z: 22 34.959 2.376 0.869 0.641 0.952 0.571 CB 1.581 22 residues pruned to eliminate duplicates Z: 31 43.405 2.454 1.164 0.535 0.900 0.633 CB 1.602 31 residues pruned to eliminate duplicates Z: 21 38.824 2.320 1.086 0.686 1.000 0.800 CB 1.513 21 residues pruned to eliminate duplicates Z: 31 43.074 2.477 1.031 0.547 0.933 0.733 CB 1.600 31 residues pruned to eliminate duplicates Z: 18 15.823 1.913 0.580 0.371 1.000 0.765 CA 1.457 18 residues pruned to eliminate duplicates Z: 89 43.846 2.239 0.747 0.397 0.898 0.545 CB 1.484 89 residues pruned to eliminate duplicates Z: 76 39.153 2.251 0.918 0.365 0.827 0.573 CB 1.464 76 residues pruned to eliminate duplicates Z: 13 15.975 2.087 0.716 0.551 0.917 0.667 CB 1.337 13 residues pruned to eliminate duplicates Z: 73 46.133 2.224 1.052 0.374 0.889 0.597 CB 1.533 73 residues pruned to eliminate duplicates Z: 52 38.151 2.221 0.854 0.404 0.941 0.588 CB 1.525 52 residues pruned to eliminate duplicates Z: 64 56.676 2.369 1.096 0.503 0.857 0.651 CB 1.673 64 residues pruned to eliminate duplicates Z: 50 36.684 2.222 0.846 0.408 0.939 0.653 CB 1.498 50 residues pruned to eliminate duplicates Z: 83 57.875 2.308 1.007 0.442 0.902 0.573 CB 1.624 83 residues pruned to eliminate duplicates Z: 65 47.378 2.247 0.931 0.460 0.891 0.562 CB 1.596 65 residues pruned to eliminate duplicates Z: 51 36.152 2.167 0.863 0.395 0.940 0.680 CB 1.505 51 residues pruned to eliminate duplicates 353 residues left after pruning, divided into chains as follows: A: 155 B: 19 C: 22 D: 144 E: 13 CC for partial structure against native data = 38.01 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.515, Connect. = 0.752 for dens.mod. cycle 1 = 0.300, Contrast = 0.601, Connect. = 0.785 for dens.mod. cycle 2 = 0.300, Contrast = 0.716, Connect. = 0.815 for dens.mod. cycle 3 = 0.300, Contrast = 0.733, Connect. = 0.818 for dens.mod. cycle 4 = 0.300, Contrast = 0.748, Connect. = 0.822 for dens.mod. cycle 5 = 0.300, Contrast = 0.756, Connect. = 0.824 for dens.mod. cycle 6 = 0.300, Contrast = 0.763, Connect. = 0.825 for dens.mod. cycle 7 = 0.300, Contrast = 0.767, Connect. = 0.826 for dens.mod. cycle 8 = 0.300, Contrast = 0.770, Connect. = 0.827 for dens.mod. cycle 9 = 0.300, Contrast = 0.771, Connect. = 0.828 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2618 peaks > 0.5 sigma used to seed fragment search Space for about 560 unique residues taking solvent into account 587 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 51 42.842 2.395 0.678 0.487 0.860 0.560 CB 1.776 B: 24 30.862 2.510 0.953 0.339 0.870 0.391 CB 1.800 24 residues pruned to eliminate duplicates C: 13 35.040 2.252 1.038 0.804 0.917 0.833 CA 1.843 D: 13 38.104 2.338 0.886 0.904 1.000 0.917 CA 1.777 13 residues pruned to eliminate duplicates E: 24 48.197 2.381 1.312 0.599 0.870 0.652 C 1.910 13 residues pruned to eliminate duplicates F: 19 30.074 2.416 1.210 0.432 0.889 0.667 CB 1.602 10 residues pruned to eliminate duplicates G: 13 36.164 2.377 0.857 0.831 0.917 0.833 CA 1.938 13 residues pruned to eliminate duplicates H: 20 37.734 2.443 1.286 0.448 0.947 0.737 CB 1.726 19 residues pruned to eliminate duplicates I: 15 27.731 2.177 0.417 0.902 1.000 0.786 CB 1.714 J: 8 12.723 2.291 0.881 0.487 0.714 0.571 CB 1.583 7 residues pruned to eliminate duplicates K: 7 16.369 2.499 1.212 0.529 0.667 0.667 CA 1.762 7 residues pruned to eliminate duplicates L: 13 47.827 2.366 1.285 0.931 1.000 0.750 CA 1.785 13 residues pruned to eliminate duplicates M: 13 35.218 2.350 0.899 0.836 0.917 0.750 CB 1.859 13 residues pruned to eliminate duplicates N: 69 53.854 2.394 0.925 0.452 0.897 0.603 CB 1.659 18 residues pruned to eliminate duplicates O: 77 65.875 2.456 0.893 0.529 0.895 0.618 CB 1.766 67 residues pruned to eliminate duplicates P: 9 12.834 1.987 0.587 0.621 0.875 0.500 CB 1.467 Q: 45 40.517 2.288 0.710 0.485 0.955 0.523 CB 1.661 45 residues pruned to eliminate duplicates R: 15 25.137 2.188 0.327 0.889 1.000 0.857 CB 1.666 15 residues pruned to eliminate duplicates S: 18 38.613 2.537 1.428 0.515 0.882 0.765 CB 1.698 19 residues pruned to eliminate duplicates T: 80 67.765 2.490 0.896 0.511 0.899 0.658 CB 1.778 78 residues pruned to eliminate duplicates U: 20 23.170 2.403 0.976 0.324 0.842 0.526 CB 1.612 20 residues pruned to eliminate duplicates V: 79 62.948 2.397 1.022 0.449 0.910 0.551 CB 1.703 83 residues pruned to eliminate duplicates W: 13 41.759 2.358 1.259 0.839 0.917 0.667 CB 1.843 13 residues pruned to eliminate duplicates X: 11 9.944 1.980 0.631 0.342 0.800 0.500 CA 1.446 Y: 79 70.961 2.480 0.942 0.534 0.910 0.679 CB 1.772 79 residues pruned to eliminate duplicates Z: 37 30.355 2.248 0.692 0.552 0.889 0.667 CB 1.423 8 residues pruned to eliminate duplicates Z: 43 36.135 2.294 1.017 0.392 0.857 0.476 CB 1.576 24 residues pruned to eliminate duplicates Z: 82 68.912 2.456 0.965 0.470 0.914 0.704 CB 1.790 84 residues pruned to eliminate duplicates Z: 17 39.177 2.217 0.950 0.876 0.938 0.625 CB 1.756 17 residues pruned to eliminate duplicates Z: 12 11.885 1.842 0.475 0.541 0.909 0.727 CA 1.394 12 residues pruned to eliminate duplicates Z: 17 33.797 2.254 0.735 0.898 0.875 0.750 CB 1.766 17 residues pruned to eliminate duplicates Z: 17 34.669 2.278 0.742 0.844 0.938 0.750 CB 1.734 17 residues pruned to eliminate duplicates Z: 14 21.575 2.264 0.219 0.894 1.000 1.000 CB 1.556 14 residues pruned to eliminate duplicates Z: 31 40.314 2.471 0.852 0.536 0.933 0.767 CB 1.663 31 residues pruned to eliminate duplicates Z: 49 41.011 2.314 0.817 0.439 0.896 0.667 CB 1.674 9 residues pruned to eliminate duplicates Z: 78 60.480 2.433 0.824 0.513 0.883 0.636 CB 1.737 78 residues pruned to eliminate duplicates Z: 25 27.242 2.330 0.808 0.409 0.833 0.458 CA 1.742 25 residues pruned to eliminate duplicates Z: 8 13.210 2.105 0.589 0.531 0.857 0.714 CA 1.689 8 residues pruned to eliminate duplicates Z: 32 34.145 2.359 0.703 0.536 0.935 0.710 CB 1.576 32 residues pruned to eliminate duplicates Z: 12 19.964 1.981 0.558 0.839 1.000 0.636 CB 1.457 12 residues pruned to eliminate duplicates Z: 53 41.866 2.281 0.855 0.531 0.904 0.692 CB 1.472 59 residues pruned to eliminate duplicates Z: 10 20.128 2.095 0.419 0.880 1.000 0.778 CB 1.635 10 residues pruned to eliminate duplicates Z: 15 29.864 2.141 0.574 0.902 1.000 0.929 CB 1.689 15 residues pruned to eliminate duplicates Z: 16 45.251 2.357 1.090 0.892 0.933 0.733 CA 1.825 16 residues pruned to eliminate duplicates Z: 48 42.892 2.317 0.931 0.430 0.894 0.660 CB 1.684 48 residues pruned to eliminate duplicates Z: 85 61.148 2.347 1.087 0.432 0.869 0.655 CB 1.681 85 residues pruned to eliminate duplicates Z: 16 40.436 2.305 0.860 0.928 0.933 0.800 CA 1.828 16 residues pruned to eliminate duplicates Z: 16 26.394 2.065 0.611 0.905 1.000 0.933 CB 1.458 16 residues pruned to eliminate duplicates Z: 16 25.072 2.293 1.388 0.399 0.800 0.733 CB 1.643 16 residues pruned to eliminate duplicates Z: 14 38.206 2.242 0.969 0.865 1.000 0.846 CA 1.759 14 residues pruned to eliminate duplicates Z: 36 43.062 2.489 0.881 0.509 0.857 0.657 CB 1.797 36 residues pruned to eliminate duplicates Z: 8 12.387 1.899 0.560 0.748 1.000 0.857 CB 1.266 8 residues pruned to eliminate duplicates Z: 11 21.733 2.199 1.316 0.655 0.900 0.800 CB 1.298 11 residues pruned to eliminate duplicates Z: 15 26.987 2.169 0.497 0.881 1.000 0.786 CB 1.608 15 residues pruned to eliminate duplicates Z: 16 44.186 2.258 0.989 0.948 1.000 0.867 CA 1.754 16 residues pruned to eliminate duplicates Z: 79 66.150 2.458 0.869 0.524 0.910 0.628 CB 1.750 53 residues pruned to eliminate duplicates Z: 105 78.917 2.421 1.101 0.455 0.913 0.683 CB 1.743 104 residues pruned to eliminate duplicates Z: 100 56.043 2.293 0.804 0.448 0.899 0.616 CB 1.598 49 residues pruned to eliminate duplicates Z: 16 39.645 2.245 0.764 0.934 1.000 0.867 CA 1.803 16 residues pruned to eliminate duplicates Z: 21 32.610 2.306 1.075 0.469 0.900 0.750 CB 1.748 18 residues pruned to eliminate duplicates Z: 68 55.108 2.351 0.977 0.424 0.910 0.672 CB 1.721 68 residues pruned to eliminate duplicates Z: 73 39.155 2.250 0.817 0.378 0.847 0.583 CB 1.518 74 residues pruned to eliminate duplicates Z: 16 24.012 2.079 0.397 0.903 1.000 0.933 CB 1.523 16 residues pruned to eliminate duplicates Z: 17 40.564 2.278 1.019 0.892 0.938 0.812 CB 1.689 17 residues pruned to eliminate duplicates Z: 16 47.019 2.396 1.062 0.891 0.933 0.667 CA 1.893 16 residues pruned to eliminate duplicates Z: 72 44.069 2.327 0.774 0.368 0.859 0.549 CB 1.699 72 residues pruned to eliminate duplicates Z: 76 54.113 2.360 0.847 0.477 0.907 0.640 CB 1.619 76 residues pruned to eliminate duplicates Z: 43 41.098 2.387 1.028 0.440 0.905 0.595 CB 1.540 43 residues pruned to eliminate duplicates Z: 8 10.395 1.951 0.489 0.651 0.857 0.571 CB 1.371 8 residues pruned to eliminate duplicates Z: 16 41.168 2.269 0.785 0.885 1.000 0.867 CA 1.894 16 residues pruned to eliminate duplicates Z: 19 16.211 2.139 0.656 0.298 0.833 0.500 CB 1.623 19 residues pruned to eliminate duplicates Z: 17 38.539 2.325 1.053 0.879 0.875 0.750 CB 1.673 17 residues pruned to eliminate duplicates Z: 13 49.325 2.389 1.349 0.930 1.000 0.667 CB 1.773 13 residues pruned to eliminate duplicates Z: 16 37.045 2.315 0.766 0.922 0.867 0.667 CB 1.899 16 residues pruned to eliminate duplicates Z: 12 21.211 2.457 1.025 0.365 1.000 0.636 CB 1.487 12 residues pruned to eliminate duplicates Z: 10 12.942 2.058 0.027 0.880 1.000 0.889 CA 1.480 10 residues pruned to eliminate duplicates Z: 41 43.752 2.438 0.780 0.477 0.925 0.600 CB 1.763 41 residues pruned to eliminate duplicates Z: 14 34.443 2.224 0.746 0.924 1.000 0.846 CA 1.727 14 residues pruned to eliminate duplicates Z: 11 8.716 1.806 0.442 0.414 0.900 0.600 CB 1.287 4 residues pruned to eliminate duplicates Z: 15 10.487 1.968 0.852 0.373 0.714 0.643 CB 1.234 10 residues pruned to eliminate duplicates Z: 67 55.210 2.383 0.881 0.486 0.894 0.667 CB 1.719 67 residues pruned to eliminate duplicates Z: 53 40.309 2.277 0.933 0.410 0.885 0.635 CB 1.578 53 residues pruned to eliminate duplicates Z: 11 23.751 2.210 1.116 0.660 0.900 0.900 CB 1.539 11 residues pruned to eliminate duplicates Z: 8 13.352 1.776 0.778 0.550 1.000 0.286 CB 1.522 8 residues pruned to eliminate duplicates Z: 89 68.324 2.403 1.048 0.470 0.898 0.682 CB 1.699 89 residues pruned to eliminate duplicates Z: 13 42.132 2.295 1.028 0.926 1.000 0.917 CA 1.832 13 residues pruned to eliminate duplicates Z: 51 38.670 2.296 0.633 0.559 0.860 0.640 CB 1.602 51 residues pruned to eliminate duplicates Z: 11 18.123 1.997 0.461 0.809 1.000 0.900 CA 1.501 11 residues pruned to eliminate duplicates Z: 53 45.662 2.361 0.820 0.487 0.885 0.615 CB 1.687 53 residues pruned to eliminate duplicates Z: 16 41.299 2.369 1.009 0.913 0.867 0.867 CB 1.830 16 residues pruned to eliminate duplicates Z: 6 9.915 2.058 0.422 0.710 1.000 0.600 CA 1.252 6 residues pruned to eliminate duplicates Z: 16 35.546 2.312 0.550 0.938 1.000 1.000 CA 1.781 16 residues pruned to eliminate duplicates Z: 16 37.170 2.472 0.802 0.785 0.867 0.800 CA 1.934 16 residues pruned to eliminate duplicates Z: 11 22.169 2.120 0.599 0.826 1.000 0.800 CA 1.560 11 residues pruned to eliminate duplicates Z: 134 83.649 2.413 0.936 0.476 0.917 0.654 CB 1.734 144 residues pruned to eliminate duplicates Z: 17 37.038 2.289 0.804 0.889 0.938 0.875 CA 1.722 17 residues pruned to eliminate duplicates Z: 15 33.430 2.145 0.989 0.806 1.000 0.571 CB 1.604 14 residues pruned to eliminate duplicates Z: 17 35.601 2.288 0.849 0.853 0.938 0.812 CB 1.659 17 residues pruned to eliminate duplicates Z: 15 30.678 2.177 0.639 0.904 1.000 0.786 CB 1.637 15 residues pruned to eliminate duplicates Z: 75 67.435 2.363 1.110 0.493 0.905 0.622 CB 1.749 75 residues pruned to eliminate duplicates Z: 17 35.127 2.262 0.827 0.917 0.875 0.688 CB 1.714 17 residues pruned to eliminate duplicates Z: 157 78.502 2.360 0.881 0.461 0.897 0.603 CB 1.642 156 residues pruned to eliminate duplicates Z: 64 50.347 2.302 0.994 0.424 0.905 0.651 CB 1.652 64 residues pruned to eliminate duplicates Z: 16 41.759 2.316 0.894 0.917 1.000 0.800 CA 1.734 16 residues pruned to eliminate duplicates Z: 50 45.218 2.292 1.041 0.411 0.918 0.673 CB 1.650 50 residues pruned to eliminate duplicates Z: 14 31.264 2.272 0.753 0.885 1.000 0.923 CB 1.572 14 residues pruned to eliminate duplicates Z: 87 52.426 2.264 0.914 0.432 0.895 0.616 CB 1.563 87 residues pruned to eliminate duplicates Z: 16 32.209 2.210 0.476 0.926 1.000 0.933 CA 1.788 16 residues pruned to eliminate duplicates Z: 14 28.068 2.269 0.475 0.908 1.000 0.923 CB 1.651 14 residues pruned to eliminate duplicates Z: 12 18.037 2.392 0.969 0.377 0.909 0.727 CB 1.448 12 residues pruned to eliminate duplicates Z: 19 18.940 2.073 0.602 0.471 0.944 0.611 CA 1.466 Z: 14 34.464 2.282 0.889 0.897 1.000 0.923 CB 1.587 14 residues pruned to eliminate duplicates Z: 14 32.431 2.280 0.689 0.896 1.000 0.769 CB 1.672 14 residues pruned to eliminate duplicates Z: 8 10.394 2.069 0.493 0.429 1.000 0.714 CB 1.369 Z: 46 52.865 2.423 1.015 0.547 0.867 0.600 CB 1.778 46 residues pruned to eliminate duplicates Z: 16 38.480 2.343 0.769 0.899 0.933 0.867 CB 1.837 16 residues pruned to eliminate duplicates Z: 71 44.270 2.314 0.772 0.394 0.900 0.629 CB 1.604 71 residues pruned to eliminate duplicates Z: 19 35.922 2.393 0.881 0.688 0.889 0.611 CA 1.782 19 residues pruned to eliminate duplicates Z: 44 39.467 2.344 0.755 0.476 0.884 0.535 CB 1.696 44 residues pruned to eliminate duplicates Z: 24 14.328 1.885 0.524 0.332 0.826 0.565 CB 1.512 12 residues pruned to eliminate duplicates Z: 88 66.155 2.366 1.046 0.461 0.897 0.655 CB 1.700 88 residues pruned to eliminate duplicates Z: 16 40.503 2.351 0.804 0.910 0.933 0.867 CA 1.875 16 residues pruned to eliminate duplicates Z: 20 28.886 2.334 0.608 0.674 0.947 0.789 CB 1.588 20 residues pruned to eliminate duplicates Z: 67 51.494 2.358 0.771 0.510 0.894 0.576 CB 1.682 67 residues pruned to eliminate duplicates Z: 6 9.578 2.302 0.888 0.532 0.600 0.600 CB 1.592 Z: 19 33.773 2.416 0.786 0.677 0.889 0.611 CB 1.764 19 residues pruned to eliminate duplicates Z: 15 38.983 2.374 0.737 0.927 0.929 0.786 CA 1.907 15 residues pruned to eliminate duplicates Z: 66 42.396 2.292 0.842 0.395 0.846 0.662 CB 1.645 66 residues pruned to eliminate duplicates Z: 15 23.401 2.090 0.433 0.886 1.000 0.857 CB 1.507 15 residues pruned to eliminate duplicates Z: 65 40.249 2.269 0.668 0.419 0.906 0.578 CB 1.596 65 residues pruned to eliminate duplicates Z: 16 25.232 2.277 0.902 0.504 0.800 0.667 CA 1.873 16 residues pruned to eliminate duplicates Z: 14 39.845 2.143 1.300 0.857 0.923 0.846 C 1.790 14 residues pruned to eliminate duplicates Z: 14 34.454 2.266 0.790 0.877 1.000 0.846 CB 1.711 14 residues pruned to eliminate duplicates Z: 10 17.820 1.964 0.604 0.798 0.889 0.556 CA 1.634 10 residues pruned to eliminate duplicates Z: 37 42.174 2.384 0.751 0.571 0.917 0.583 CB 1.716 37 residues pruned to eliminate duplicates Z: 27 16.311 2.015 0.350 0.382 0.885 0.500 CA 1.507 27 residues pruned to eliminate duplicates Z: 59 45.816 2.412 0.821 0.414 0.862 0.569 CB 1.738 59 residues pruned to eliminate duplicates Z: 12 15.549 1.851 0.301 0.912 1.000 0.818 CB 1.378 12 residues pruned to eliminate duplicates Z: 72 40.837 2.299 0.729 0.386 0.873 0.620 CB 1.576 72 residues pruned to eliminate duplicates Z: 26 23.943 2.336 0.970 0.315 0.800 0.440 CB 1.596 26 residues pruned to eliminate duplicates Z: 13 31.642 2.224 1.153 0.639 1.000 0.917 CB 1.675 13 residues pruned to eliminate duplicates Z: 8 25.834 2.379 1.001 0.736 1.000 0.857 CA 1.659 8 residues pruned to eliminate duplicates Z: 18 18.155 2.115 0.633 0.466 0.824 0.647 CB 1.603 18 residues pruned to eliminate duplicates Z: 11 16.272 2.012 0.306 0.913 1.000 0.800 CB 1.386 11 residues pruned to eliminate duplicates Z: 48 44.740 2.412 0.856 0.511 0.872 0.660 CB 1.652 48 residues pruned to eliminate duplicates Z: 15 14.967 2.091 0.559 0.369 0.857 0.643 CA 1.648 15 residues pruned to eliminate duplicates Z: 17 19.564 2.227 0.554 0.459 0.875 0.625 CB 1.684 17 residues pruned to eliminate duplicates Z: 15 21.713 2.162 0.255 0.921 1.000 0.857 CB 1.506 15 residues pruned to eliminate duplicates Z: 71 49.868 2.363 0.982 0.403 0.843 0.657 CB 1.672 77 residues pruned to eliminate duplicates Z: 87 49.360 2.271 0.827 0.418 0.895 0.523 CB 1.561 87 residues pruned to eliminate duplicates Z: 31 35.336 2.420 0.779 0.536 0.900 0.700 CB 1.607 31 residues pruned to eliminate duplicates Z: 61 42.655 2.302 0.849 0.394 0.900 0.633 CB 1.609 61 residues pruned to eliminate duplicates Z: 17 14.213 2.292 0.803 0.293 0.812 0.500 CB 1.334 17 residues pruned to eliminate duplicates Z: 6 10.465 2.036 0.390 0.761 1.000 0.600 CA 1.311 6 residues pruned to eliminate duplicates Z: 72 59.714 2.341 1.064 0.462 0.887 0.662 CB 1.718 72 residues pruned to eliminate duplicates Z: 25 44.404 2.397 0.886 0.669 0.917 0.708 CA 1.872 25 residues pruned to eliminate duplicates Z: 15 32.668 2.165 0.877 0.892 0.929 0.929 CB 1.662 15 residues pruned to eliminate duplicates Z: 26 21.869 2.267 0.695 0.283 0.840 0.440 CB 1.732 26 residues pruned to eliminate duplicates Z: 15 30.154 2.188 0.711 0.941 1.000 0.786 CB 1.494 15 residues pruned to eliminate duplicates Z: 18 12.746 1.932 0.520 0.329 0.882 0.529 CA 1.439 18 residues pruned to eliminate duplicates Z: 100 60.031 2.274 0.938 0.468 0.889 0.657 CB 1.591 100 residues pruned to eliminate duplicates Z: 13 22.735 2.287 0.110 0.943 1.000 0.917 CB 1.791 13 residues pruned to eliminate duplicates Z: 12 13.668 2.050 0.772 0.584 0.818 0.636 CB 1.279 12 residues pruned to eliminate duplicates Z: 104 79.111 2.437 1.112 0.467 0.893 0.670 CB 1.752 104 residues pruned to eliminate duplicates Z: 6 6.147 1.968 0.044 0.537 0.800 0.600 CB 1.614 6 residues pruned to eliminate duplicates Z: 78 61.466 2.443 0.847 0.489 0.870 0.623 CB 1.805 78 residues pruned to eliminate duplicates Z: 19 15.283 1.928 0.531 0.493 0.833 0.500 CA 1.475 16 residues pruned to eliminate duplicates Z: 10 14.678 2.169 1.145 0.438 0.778 0.667 CB 1.441 10 residues pruned to eliminate duplicates Z: 78 44.403 2.298 0.766 0.369 0.883 0.571 CB 1.624 78 residues pruned to eliminate duplicates Z: 10 14.963 2.105 0.481 0.869 0.889 0.667 CA 1.315 10 residues pruned to eliminate duplicates Z: 47 61.473 2.449 1.088 0.552 0.957 0.609 CB 1.761 47 residues pruned to eliminate duplicates Z: 34 34.820 2.415 0.788 0.448 0.848 0.485 CB 1.744 34 residues pruned to eliminate duplicates Z: 21 12.913 1.942 0.513 0.319 0.800 0.650 CB 1.500 21 residues pruned to eliminate duplicates Z: 15 9.987 1.907 0.250 0.453 0.857 0.429 CB 1.371 15 residues pruned to eliminate duplicates Z: 26 50.816 2.453 1.264 0.635 0.880 0.520 CB 1.832 26 residues pruned to eliminate duplicates Z: 9 17.447 2.156 0.266 0.857 1.000 0.875 CA 1.666 9 residues pruned to eliminate duplicates Z: 61 35.538 2.269 0.671 0.379 0.833 0.517 CB 1.651 61 residues pruned to eliminate duplicates Z: 10 20.973 2.012 0.812 0.877 1.000 1.000 CA 1.392 10 residues pruned to eliminate duplicates Z: 30 37.995 2.243 0.837 0.656 0.931 0.759 CB 1.591 30 residues pruned to eliminate duplicates Z: 34 37.327 2.349 0.970 0.460 0.909 0.606 CB 1.610 34 residues pruned to eliminate duplicates Z: 10 21.489 2.049 0.631 0.925 1.000 0.889 CB 1.504 10 residues pruned to eliminate duplicates Z: 20 29.899 2.314 0.491 0.705 1.000 0.842 CB 1.650 20 residues pruned to eliminate duplicates Z: 12 8.267 1.950 0.697 0.230 0.909 0.364 CB 1.136 12 residues pruned to eliminate duplicates Z: 11 10.372 1.945 1.127 0.204 0.800 0.300 CB 1.407 11 residues pruned to eliminate duplicates Z: 10 20.641 2.027 0.645 0.879 1.000 0.889 CB 1.496 10 residues pruned to eliminate duplicates Z: 8 3.368 1.827 0.314 0.318 0.714 0.571 CA 0.907 8 residues pruned to eliminate duplicates Z: 28 22.435 2.151 0.694 0.399 0.815 0.593 CB 1.617 28 residues pruned to eliminate duplicates Z: 10 17.896 2.087 0.552 0.870 1.000 0.889 CA 1.344 10 residues pruned to eliminate duplicates Z: 16 37.098 2.320 0.783 0.888 0.933 0.667 CB 1.788 16 residues pruned to eliminate duplicates Z: 47 40.249 2.384 0.740 0.455 0.870 0.500 CB 1.723 47 residues pruned to eliminate duplicates Z: 11 23.757 2.030 0.776 0.911 1.000 0.900 CB 1.477 11 residues pruned to eliminate duplicates Z: 16 45.909 2.269 1.209 0.911 0.933 0.800 CB 1.796 16 residues pruned to eliminate duplicates Z: 72 44.298 2.305 0.736 0.383 0.901 0.606 CB 1.650 72 residues pruned to eliminate duplicates Z: 8 10.250 2.404 0.531 0.288 0.857 0.571 CA 1.559 8 residues pruned to eliminate duplicates Z: 16 39.000 2.294 0.911 0.886 0.933 0.733 CA 1.774 16 residues pruned to eliminate duplicates Z: 68 48.411 2.247 0.889 0.484 0.910 0.672 CB 1.555 68 residues pruned to eliminate duplicates Z: 10 9.151 1.749 0.738 0.501 0.778 0.333 CA 1.288 10 residues pruned to eliminate duplicates Z: 73 53.778 2.364 0.918 0.421 0.889 0.597 CB 1.708 73 residues pruned to eliminate duplicates Z: 12 18.181 1.869 0.402 0.930 1.000 0.909 CB 1.463 12 residues pruned to eliminate duplicates Z: 12 17.023 1.853 0.401 0.888 1.000 0.727 CB 1.425 12 residues pruned to eliminate duplicates Z: 103 54.862 2.276 0.802 0.463 0.882 0.637 CB 1.559 103 residues pruned to eliminate duplicates Z: 23 53.023 2.463 1.227 0.695 0.909 0.682 CB 1.898 23 residues pruned to eliminate duplicates Z: 113 55.302 2.317 0.837 0.395 0.866 0.616 CB 1.584 113 residues pruned to eliminate duplicates Z: 9 22.228 2.439 0.831 0.629 1.000 0.750 CB 1.559 9 residues pruned to eliminate duplicates Z: 17 26.371 2.225 0.479 0.744 0.938 0.750 CB 1.717 17 residues pruned to eliminate duplicates Z: 17 14.878 2.197 0.580 0.356 0.750 0.625 CB 1.669 17 residues pruned to eliminate duplicates Z: 11 6.466 1.743 0.167 0.452 0.800 0.400 CA 1.320 11 residues pruned to eliminate duplicates Z: 31 31.361 2.212 0.791 0.555 0.833 0.633 CB 1.644 31 residues pruned to eliminate duplicates Z: 13 14.904 1.667 0.442 0.910 1.000 1.000 CB 1.269 13 residues pruned to eliminate duplicates Z: 117 59.302 2.289 0.838 0.419 0.862 0.552 CB 1.652 117 residues pruned to eliminate duplicates Z: 29 25.644 2.233 0.863 0.360 0.857 0.464 CB 1.581 29 residues pruned to eliminate duplicates Z: 12 38.749 2.514 0.632 0.920 1.000 1.000 CA 2.004 12 residues pruned to eliminate duplicates Z: 14 10.854 2.244 0.601 0.164 0.769 0.615 CB 1.642 14 residues pruned to eliminate duplicates Z: 8 3.824 1.531 0.427 0.233 0.714 0.286 CA 1.263 8 residues pruned to eliminate duplicates Z: 77 51.957 2.341 0.965 0.401 0.882 0.658 CB 1.632 77 residues pruned to eliminate duplicates Z: 9 25.699 2.424 1.478 0.521 0.875 0.750 CB 1.694 9 residues pruned to eliminate duplicates Z: 15 36.552 2.379 0.635 0.915 1.000 1.000 CB 1.774 15 residues pruned to eliminate duplicates Z: 11 18.488 1.976 0.816 0.857 0.900 0.600 CB 1.334 11 residues pruned to eliminate duplicates Z: 71 45.514 2.304 0.904 0.380 0.843 0.600 CB 1.671 71 residues pruned to eliminate duplicates Z: 12 8.932 1.840 0.667 0.273 0.818 0.455 CB 1.388 12 residues pruned to eliminate duplicates Z: 33 37.222 2.397 0.824 0.501 0.938 0.781 CB 1.604 33 residues pruned to eliminate duplicates Z: 104 77.199 2.407 1.116 0.467 0.893 0.602 CB 1.730 104 residues pruned to eliminate duplicates Z: 10 10.921 1.702 0.894 0.446 0.889 0.444 CB 1.343 10 residues pruned to eliminate duplicates Z: 13 14.646 2.299 0.529 0.551 0.917 0.417 CB 1.249 13 residues pruned to eliminate duplicates Z: 16 32.690 2.278 0.682 0.859 0.933 0.733 CA 1.737 16 residues pruned to eliminate duplicates Z: 14 15.224 2.015 0.370 0.808 0.846 0.538 CB 1.382 14 residues pruned to eliminate duplicates Z: 33 23.446 2.229 0.914 0.289 0.781 0.625 CB 1.575 33 residues pruned to eliminate duplicates Z: 45 41.597 2.327 0.823 0.515 0.841 0.568 CB 1.733 45 residues pruned to eliminate duplicates Z: 22 22.336 2.129 0.713 0.512 0.905 0.714 CB 1.460 22 residues pruned to eliminate duplicates Z: 8 10.594 2.258 0.510 0.568 0.714 0.571 CB 1.539 8 residues pruned to eliminate duplicates Z: 15 28.457 2.170 0.606 0.786 1.000 0.857 CB 1.697 15 residues pruned to eliminate duplicates Z: 20 41.583 2.483 1.352 0.498 0.895 0.579 CB 1.829 20 residues pruned to eliminate duplicates Z: 55 37.370 2.276 0.724 0.381 0.907 0.593 CB 1.621 55 residues pruned to eliminate duplicates Z: 10 25.103 2.323 0.533 0.827 1.000 0.778 CA 1.772 10 residues pruned to eliminate duplicates Z: 15 31.003 2.112 0.886 0.897 1.000 0.786 CB 1.489 15 residues pruned to eliminate duplicates Z: 11 22.984 2.037 0.754 0.887 1.000 0.900 CB 1.467 11 residues pruned to eliminate duplicates Z: 11 35.498 2.454 0.895 0.938 1.000 1.000 CB 1.679 11 residues pruned to eliminate duplicates Z: 7 24.083 2.227 1.542 0.840 0.833 0.833 CB 1.555 7 residues pruned to eliminate duplicates Z: 79 64.267 2.460 0.802 0.521 0.923 0.615 CB 1.743 79 residues pruned to eliminate duplicates Z: 17 43.947 2.542 1.048 0.719 0.875 0.688 CB 1.980 17 residues pruned to eliminate duplicates Z: 6 18.029 2.095 1.148 0.597 1.000 0.600 C 1.633 6 residues pruned to eliminate duplicates Z: 31 42.168 2.335 0.963 0.551 0.933 0.633 CB 1.712 31 residues pruned to eliminate duplicates Z: 68 41.917 2.311 0.799 0.380 0.866 0.612 CB 1.616 68 residues pruned to eliminate duplicates Z: 70 47.439 2.238 0.832 0.457 0.913 0.565 CB 1.594 70 residues pruned to eliminate duplicates Z: 17 34.542 2.220 0.807 0.843 0.938 0.812 CB 1.710 17 residues pruned to eliminate duplicates Z: 12 15.240 1.847 0.233 0.901 1.000 0.909 CB 1.440 12 residues pruned to eliminate duplicates Z: 11 23.299 1.960 0.902 0.832 1.000 0.800 CB 1.483 11 residues pruned to eliminate duplicates Z: 9 22.011 1.960 1.246 0.631 1.000 0.500 CA 1.563 9 residues pruned to eliminate duplicates Z: 41 49.312 2.422 0.969 0.530 0.875 0.575 CB 1.814 41 residues pruned to eliminate duplicates Z: 63 51.818 2.288 1.031 0.430 0.903 0.629 CB 1.686 63 residues pruned to eliminate duplicates Z: 6 5.987 1.491 0.170 0.868 1.000 0.800 N 1.122 6 residues pruned to eliminate duplicates Z: 38 50.637 2.443 0.888 0.533 0.946 0.595 CB 1.848 38 residues pruned to eliminate duplicates Z: 104 70.983 2.374 1.019 0.438 0.913 0.641 CB 1.705 104 residues pruned to eliminate duplicates Z: 66 47.817 2.317 0.709 0.547 0.877 0.692 CB 1.631 66 residues pruned to eliminate duplicates Z: 26 16.464 2.012 0.644 0.516 0.880 0.520 CB 1.113 26 residues pruned to eliminate duplicates Z: 27 32.505 2.288 0.611 0.632 0.846 0.692 CB 1.805 27 residues pruned to eliminate duplicates Z: 138 88.030 2.408 1.071 0.468 0.883 0.584 CB 1.764 138 residues pruned to eliminate duplicates Z: 69 43.229 2.304 0.815 0.387 0.868 0.647 CB 1.629 69 residues pruned to eliminate duplicates Z: 43 41.522 2.318 0.957 0.438 0.929 0.595 CB 1.621 43 residues pruned to eliminate duplicates Z: 28 32.622 2.344 0.647 0.596 0.963 0.815 CB 1.541 28 residues pruned to eliminate duplicates Z: 29 23.603 2.300 0.739 0.353 0.821 0.393 CB 1.591 29 residues pruned to eliminate duplicates Z: 16 27.688 2.036 0.847 0.849 0.933 0.800 CB 1.511 16 residues pruned to eliminate duplicates Z: 44 47.074 2.372 0.869 0.517 0.953 0.558 CB 1.671 44 residues pruned to eliminate duplicates Z: 15 27.459 2.104 0.749 0.901 1.000 0.786 CB 1.424 15 residues pruned to eliminate duplicates Z: 11 25.343 2.058 0.805 0.830 1.000 0.800 CA 1.622 11 residues pruned to eliminate duplicates Z: 10 10.416 1.963 0.433 0.385 0.889 0.667 C 1.569 10 residues pruned to eliminate duplicates Z: 7 9.027 1.918 0.579 0.619 0.833 0.500 CA 1.304 7 residues pruned to eliminate duplicates Z: 10 27.950 2.588 1.423 0.454 0.889 0.667 CB 1.751 10 residues pruned to eliminate duplicates Z: 6 6.105 1.525 0.434 0.786 1.000 0.600 CA 0.971 6 residues pruned to eliminate duplicates Z: 7 6.207 2.105 0.305 0.272 0.833 0.333 CB 1.434 7 residues pruned to eliminate duplicates Z: 7 2.553 1.599 0.696 0.355 0.833 0.500 CB 0.539 Z: 32 33.090 2.143 0.710 0.558 0.968 0.710 CB 1.584 32 residues pruned to eliminate duplicates Z: 83 66.292 2.385 1.066 0.481 0.878 0.695 CB 1.725 83 residues pruned to eliminate duplicates Z: 8 12.812 1.881 0.976 0.662 1.000 0.857 CA 1.121 8 residues pruned to eliminate duplicates Z: 14 40.756 2.249 1.106 0.947 1.000 0.769 CB 1.650 14 residues pruned to eliminate duplicates Z: 19 9.387 1.920 0.428 0.340 0.778 0.333 CB 1.236 19 residues pruned to eliminate duplicates Z: 35 25.806 2.368 0.777 0.297 0.765 0.559 CB 1.725 35 residues pruned to eliminate duplicates Z: 8 25.044 2.458 1.232 0.542 0.857 0.714 C 1.932 8 residues pruned to eliminate duplicates Z: 43 51.120 2.452 0.951 0.543 0.905 0.500 CB 1.747 43 residues pruned to eliminate duplicates Z: 14 43.717 2.441 1.041 0.930 0.923 0.769 CB 1.844 14 residues pruned to eliminate duplicates Z: 48 50.181 2.421 0.904 0.523 0.872 0.638 CB 1.780 48 residues pruned to eliminate duplicates Z: 16 34.780 2.253 0.869 0.908 0.933 0.800 CB 1.623 16 residues pruned to eliminate duplicates Z: 11 18.299 1.857 0.419 0.880 1.000 0.900 CA 1.592 11 residues pruned to eliminate duplicates Z: 49 49.364 2.357 0.960 0.522 0.896 0.562 CB 1.684 49 residues pruned to eliminate duplicates Z: 17 20.206 2.086 1.115 0.328 0.875 0.562 CB 1.580 17 residues pruned to eliminate duplicates Z: 23 38.052 2.262 0.986 0.588 0.955 0.682 CA 1.738 23 residues pruned to eliminate duplicates Z: 14 48.381 2.440 1.066 0.931 1.000 0.615 CB 1.860 14 residues pruned to eliminate duplicates Z: 20 34.328 2.297 1.118 0.545 0.895 0.632 CA 1.731 20 residues pruned to eliminate duplicates Z: 14 30.207 2.175 0.889 0.937 1.000 0.923 CB 1.420 15 residues pruned to eliminate duplicates Z: 43 34.407 2.310 0.760 0.433 0.881 0.595 CB 1.589 43 residues pruned to eliminate duplicates Z: 10 9.768 2.199 0.339 0.258 0.889 0.444 CB 1.642 10 residues pruned to eliminate duplicates Z: 22 22.336 2.129 0.421 0.649 0.952 0.857 CB 1.472 22 residues pruned to eliminate duplicates Z: 7 7.241 1.984 0.219 0.624 0.833 0.833 CB 1.304 7 residues pruned to eliminate duplicates Z: 6 9.402 2.049 0.551 0.627 0.800 0.800 CA 1.468 6 residues pruned to eliminate duplicates Z: 63 50.530 2.361 0.930 0.420 0.903 0.629 CB 1.693 63 residues pruned to eliminate duplicates Z: 11 24.605 1.965 0.881 0.843 1.000 0.400 CB 1.567 11 residues pruned to eliminate duplicates Z: 21 22.024 2.198 0.806 0.281 0.900 0.400 CB 1.766 21 residues pruned to eliminate duplicates Z: 18 28.781 2.379 1.050 0.456 0.882 0.471 CB 1.696 18 residues pruned to eliminate duplicates Z: 61 56.773 2.396 0.798 0.564 0.933 0.683 CB 1.712 61 residues pruned to eliminate duplicates Z: 95 63.591 2.303 1.027 0.470 0.883 0.628 CB 1.641 95 residues pruned to eliminate duplicates Z: 17 28.754 2.491 1.113 0.516 0.812 0.688 CB 1.654 17 residues pruned to eliminate duplicates Z: 23 15.495 2.055 0.657 0.358 0.773 0.545 CB 1.464 23 residues pruned to eliminate duplicates Z: 96 58.498 2.290 0.835 0.471 0.884 0.589 CB 1.662 96 residues pruned to eliminate duplicates Z: 7 22.426 2.044 1.407 0.777 1.000 1.000 CB 1.458 7 residues pruned to eliminate duplicates Z: 30 19.507 2.207 0.609 0.290 0.828 0.448 CB 1.560 30 residues pruned to eliminate duplicates Z: 35 52.299 2.421 1.088 0.516 0.971 0.676 CB 1.799 35 residues pruned to eliminate duplicates Z: 52 44.086 2.309 0.950 0.428 0.922 0.686 CB 1.603 52 residues pruned to eliminate duplicates Z: 22 14.657 1.926 0.568 0.448 0.810 0.619 CB 1.379 25 residues pruned to eliminate duplicates Z: 135 74.288 2.351 0.910 0.454 0.896 0.590 CB 1.672 135 residues pruned to eliminate duplicates Z: 6 7.190 1.901 0.553 0.477 0.800 0.800 C 1.393 6 residues pruned to eliminate duplicates Z: 10 25.141 2.375 0.979 0.545 1.000 0.667 CB 1.706 10 residues pruned to eliminate duplicates Z: 6 6.785 1.668 0.265 0.840 1.000 1.000 CB 1.073 6 residues pruned to eliminate duplicates Z: 12 16.000 1.861 0.364 0.889 0.909 0.818 N 1.505 12 residues pruned to eliminate duplicates Z: 14 35.650 2.162 1.061 0.892 1.000 0.846 CB 1.595 14 residues pruned to eliminate duplicates 6 1.858 1.338 -0.060 0.296 0.800 0.600 CA 1.038 ? Z: 13 10.248 2.067 0.703 0.283 0.750 0.417 CB 1.431 13 residues pruned to eliminate duplicates Z: 13 16.404 1.704 0.443 0.891 1.000 0.833 CA 1.385 13 residues pruned to eliminate duplicates Z: 19 28.882 2.361 0.401 0.673 1.000 0.833 CB 1.754 19 residues pruned to eliminate duplicates Z: 31 37.876 2.439 0.799 0.534 0.967 0.700 CB 1.577 31 residues pruned to eliminate duplicates Z: 22 22.496 1.973 0.786 0.639 0.905 0.762 CB 1.352 22 residues pruned to eliminate duplicates Z: 23 14.923 1.991 0.471 0.329 0.909 0.455 CA 1.441 23 residues pruned to eliminate duplicates Z: 6 4.230 1.746 0.428 0.433 0.600 0.600 CB 1.356 6 residues pruned to eliminate duplicates Z: 57 41.726 2.326 0.783 0.430 0.857 0.589 CB 1.686 57 residues pruned to eliminate duplicates Z: 6 9.907 1.955 0.417 0.736 1.000 0.600 CA 1.294 6 residues pruned to eliminate duplicates Z: 8 4.694 2.176 -0.080 0.315 0.714 0.143 CB 1.524 Z: 26 29.307 2.409 0.908 0.388 0.840 0.560 CB 1.709 26 residues pruned to eliminate duplicates Z: 26 15.593 1.890 0.607 0.433 0.840 0.520 CB 1.310 26 residues pruned to eliminate duplicates Z: 14 39.098 2.239 1.056 0.900 1.000 1.000 CB 1.683 15 residues pruned to eliminate duplicates Z: 10 21.074 2.259 1.041 0.568 1.000 0.667 CB 1.426 10 residues pruned to eliminate duplicates Z: 12 15.840 2.229 0.849 0.366 0.818 0.636 CB 1.635 12 residues pruned to eliminate duplicates Z: 61 43.521 2.240 0.713 0.480 0.900 0.600 CB 1.660 61 residues pruned to eliminate duplicates Z: 53 45.285 2.259 1.060 0.418 0.904 0.635 CB 1.625 53 residues pruned to eliminate duplicates Z: 16 23.871 2.401 1.108 0.440 0.800 0.600 CB 1.618 3 residues pruned to eliminate duplicates Z: 39 50.955 2.350 1.019 0.545 0.947 0.605 CB 1.760 39 residues pruned to eliminate duplicates Z: 13 5.338 1.681 0.333 0.296 0.667 0.500 CB 1.295 10 residues pruned to eliminate duplicates Z: 17 40.416 2.413 1.642 0.626 0.875 0.875 CB 1.608 17 residues pruned to eliminate duplicates Z: 42 34.621 2.152 0.840 0.438 0.927 0.610 CB 1.570 63 residues pruned to eliminate duplicates Z: 77 56.323 2.269 0.944 0.486 0.908 0.684 CB 1.636 77 residues pruned to eliminate duplicates Z: 47 36.563 2.232 0.882 0.417 0.891 0.630 CB 1.571 47 residues pruned to eliminate duplicates Z: 48 53.589 2.458 0.977 0.510 0.957 0.532 CB 1.664 48 residues pruned to eliminate duplicates Z: 9 21.092 2.121 0.452 0.902 1.000 1.000 CA 1.727 9 residues pruned to eliminate duplicates Z: 16 16.735 2.116 0.499 0.438 0.867 0.733 CA 1.675 16 residues pruned to eliminate duplicates Z: 40 37.542 2.295 0.887 0.429 0.872 0.590 CB 1.715 40 residues pruned to eliminate duplicates Z: 12 13.490 2.087 0.504 0.528 1.000 0.545 CB 1.260 12 residues pruned to eliminate duplicates Z: 29 36.172 2.334 0.759 0.580 0.964 0.786 CB 1.598 29 residues pruned to eliminate duplicates Z: 16 11.843 1.901 0.764 0.380 0.733 0.600 CB 1.413 16 residues pruned to eliminate duplicates Z: 13 22.134 2.049 0.626 0.902 0.917 0.500 CB 1.494 13 residues pruned to eliminate duplicates Z: 37 24.136 2.063 0.620 0.424 0.889 0.500 CB 1.465 37 residues pruned to eliminate duplicates Z: 37 41.711 2.364 0.751 0.505 0.944 0.694 CB 1.771 37 residues pruned to eliminate duplicates Z: 53 41.779 2.340 0.859 0.405 0.904 0.596 CB 1.628 53 residues pruned to eliminate duplicates Z: 16 25.269 2.099 0.282 0.930 1.000 0.867 CB 1.695 16 residues pruned to eliminate duplicates Z: 76 56.143 2.418 0.839 0.507 0.853 0.613 CB 1.697 76 residues pruned to eliminate duplicates Z: 7 8.956 1.897 0.504 0.462 1.000 0.833 CA 1.332 7 residues pruned to eliminate duplicates Z: 20 20.104 2.343 0.687 0.284 0.895 0.421 CB 1.663 20 residues pruned to eliminate duplicates Z: 36 40.060 2.333 0.804 0.505 0.943 0.629 CB 1.698 36 residues pruned to eliminate duplicates Z: 21 33.230 2.259 0.743 0.671 0.950 0.750 CB 1.696 21 residues pruned to eliminate duplicates Z: 6 12.443 1.977 1.178 0.743 0.800 0.800 CA 1.300 6 residues pruned to eliminate duplicates Z: 16 31.871 2.301 0.464 0.919 1.000 0.933 CA 1.721 16 residues pruned to eliminate duplicates Z: 13 23.105 2.104 1.080 0.502 1.000 0.750 CB 1.521 13 residues pruned to eliminate duplicates Z: 15 32.412 2.105 1.023 0.906 1.000 0.643 CB 1.446 15 residues pruned to eliminate duplicates Z: 22 33.530 2.181 0.887 0.670 0.905 0.762 CB 1.680 22 residues pruned to eliminate duplicates Z: 18 16.491 1.936 1.224 0.328 0.882 0.706 CB 1.271 18 residues pruned to eliminate duplicates Z: 6 2.506 1.461 0.261 0.299 0.800 0.600 CA 0.951 Z: 16 26.013 2.288 0.435 0.794 1.000 0.867 CB 1.580 16 residues pruned to eliminate duplicates Z: 21 21.436 2.058 0.596 0.683 0.900 0.700 CB 1.371 21 residues pruned to eliminate duplicates Z: 13 22.592 2.085 1.163 0.626 0.917 0.833 CB 1.401 13 residues pruned to eliminate duplicates Z: 9 7.608 2.133 0.516 0.249 0.750 0.625 CB 1.481 Z: 31 45.832 2.418 1.116 0.490 0.867 0.667 CB 1.907 31 residues pruned to eliminate duplicates Z: 84 51.731 2.351 0.882 0.399 0.855 0.614 CB 1.669 84 residues pruned to eliminate duplicates Z: 14 33.845 2.248 0.826 0.893 1.000 0.769 CB 1.642 14 residues pruned to eliminate duplicates Z: 12 41.106 2.333 1.113 0.879 1.000 0.727 CA 1.823 12 residues pruned to eliminate duplicates Z: 32 33.982 2.482 0.969 0.352 0.839 0.452 CB 1.747 32 residues pruned to eliminate duplicates Z: 17 14.565 2.258 0.448 0.325 0.812 0.250 CB 1.661 17 residues pruned to eliminate duplicates Z: 16 9.971 1.950 0.375 0.361 0.733 0.467 CB 1.520 16 residues pruned to eliminate duplicates Z: 30 50.137 2.392 1.040 0.649 0.966 0.586 CB 1.719 30 residues pruned to eliminate duplicates Z: 22 28.706 2.304 1.184 0.422 0.810 0.619 CB 1.668 22 residues pruned to eliminate duplicates Z: 9 6.675 1.902 0.596 0.401 0.750 0.500 CB 1.150 9 residues pruned to eliminate duplicates Z: 70 58.475 2.286 1.021 0.509 0.928 0.768 CB 1.628 70 residues pruned to eliminate duplicates Z: 12 16.877 2.064 1.047 0.448 0.909 0.818 CB 1.398 12 residues pruned to eliminate duplicates Z: 47 60.221 2.496 1.101 0.532 0.913 0.457 CB 1.797 47 residues pruned to eliminate duplicates Z: 6 6.400 1.672 0.474 0.737 1.000 0.600 CA 0.939 6 residues pruned to eliminate duplicates Z: 35 32.315 2.359 0.929 0.365 0.794 0.529 CB 1.774 35 residues pruned to eliminate duplicates Z: 12 20.150 1.789 0.765 0.878 1.000 0.727 CB 1.397 12 residues pruned to eliminate duplicates Z: 105 64.674 2.350 0.838 0.442 0.913 0.587 CB 1.706 105 residues pruned to eliminate duplicates Z: 9 14.538 2.119 0.927 0.531 0.875 0.625 CB 1.395 9 residues pruned to eliminate duplicates Z: 40 37.699 2.286 0.868 0.485 0.897 0.615 CB 1.600 40 residues pruned to eliminate duplicates Z: 17 18.979 2.147 0.661 0.482 0.875 0.688 CB 1.549 17 residues pruned to eliminate duplicates Z: 9 19.861 2.222 1.017 0.730 0.875 0.875 CB 1.456 9 residues pruned to eliminate duplicates Z: 80 45.122 2.225 0.773 0.415 0.911 0.595 CB 1.542 80 residues pruned to eliminate duplicates Z: 24 24.907 2.326 1.053 0.378 0.696 0.522 CB 1.780 24 residues pruned to eliminate duplicates Z: 21 26.154 2.173 0.609 0.596 0.900 0.600 CA 1.696 21 residues pruned to eliminate duplicates Z: 9 13.405 2.070 0.780 0.383 0.875 0.875 CB 1.665 9 residues pruned to eliminate duplicates Z: 23 38.807 2.347 1.092 0.636 0.864 0.636 CB 1.718 23 residues pruned to eliminate duplicates Z: 66 49.518 2.278 0.943 0.428 0.923 0.585 CB 1.620 66 residues pruned to eliminate duplicates Z: 10 15.298 1.962 1.571 0.352 0.889 0.667 CB 1.335 10 residues pruned to eliminate duplicates Z: 13 44.195 2.472 1.147 0.719 1.000 0.667 CB 1.972 13 residues pruned to eliminate duplicates Z: 20 33.472 2.422 1.241 0.503 0.842 0.684 CB 1.675 20 residues pruned to eliminate duplicates Z: 18 19.578 2.139 0.971 0.328 0.882 0.647 CB 1.542 18 residues pruned to eliminate duplicates Z: 36 37.212 2.313 0.913 0.458 0.914 0.657 CB 1.622 36 residues pruned to eliminate duplicates Z: 13 16.114 1.671 0.565 0.906 1.000 0.917 CB 1.265 13 residues pruned to eliminate duplicates Z: 29 36.307 2.254 0.910 0.574 0.929 0.429 CB 1.597 29 residues pruned to eliminate duplicates Z: 27 25.482 2.119 0.580 0.602 0.885 0.808 CB 1.532 26 residues pruned to eliminate duplicates Z: 64 60.604 2.453 0.931 0.511 0.921 0.571 CB 1.732 64 residues pruned to eliminate duplicates Z: 25 19.477 2.068 0.536 0.403 0.917 0.542 CB 1.512 25 residues pruned to eliminate duplicates Z: 38 38.828 2.154 0.887 0.556 0.973 0.703 CB 1.528 38 residues pruned to eliminate duplicates Z: 32 24.840 2.406 0.707 0.388 0.774 0.419 CB 1.580 32 residues pruned to eliminate duplicates Z: 9 19.511 2.087 0.596 0.901 0.875 0.625 CB 1.690 9 residues pruned to eliminate duplicates Z: 19 22.348 2.336 1.108 0.341 0.889 0.722 CB 1.431 19 residues pruned to eliminate duplicates Z: 9 25.547 2.218 1.140 0.555 1.000 0.500 CA 1.804 9 residues pruned to eliminate duplicates Z: 32 23.094 2.077 0.679 0.419 0.871 0.613 CB 1.487 32 residues pruned to eliminate duplicates Z: 15 24.989 2.287 0.572 0.657 0.929 0.714 CA 1.728 15 residues pruned to eliminate duplicates Z: 43 41.792 2.314 0.965 0.539 0.905 0.595 CB 1.509 43 residues pruned to eliminate duplicates Z: 14 20.111 2.298 0.717 0.472 0.846 0.692 CB 1.719 14 residues pruned to eliminate duplicates Z: 59 51.417 2.293 1.098 0.498 0.862 0.672 CB 1.631 59 residues pruned to eliminate duplicates Z: 31 33.442 2.176 0.694 0.566 0.933 0.667 CB 1.664 31 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 16 42.473 2.333 1.069 0.883 0.933 0.400 CB 1.760 16 residues pruned to eliminate duplicates Z: 29 42.857 2.333 0.899 0.664 0.929 0.429 CB 1.692 29 residues pruned to eliminate duplicates Z: 63 47.391 2.443 0.943 0.403 0.823 0.565 CB 1.708 63 residues pruned to eliminate duplicates Z: 64 40.107 2.351 0.892 0.366 0.825 0.508 CB 1.590 64 residues pruned to eliminate duplicates Z: 54 52.756 2.422 0.831 0.542 0.943 0.585 CB 1.661 54 residues pruned to eliminate duplicates Z: 58 49.454 2.442 0.942 0.433 0.895 0.596 CB 1.655 58 residues pruned to eliminate duplicates Z: 44 57.970 2.502 1.049 0.519 0.953 0.674 CB 1.776 44 residues pruned to eliminate duplicates Z: 47 41.134 2.391 0.725 0.475 0.891 0.609 CB 1.692 47 residues pruned to eliminate duplicates Z: 57 53.516 2.470 0.963 0.441 0.911 0.518 CB 1.721 57 residues pruned to eliminate duplicates Z: 82 63.559 2.451 0.830 0.503 0.889 0.630 CB 1.765 82 residues pruned to eliminate duplicates Z: 62 59.403 2.405 0.861 0.568 0.967 0.623 CB 1.645 62 residues pruned to eliminate duplicates Z: 31 42.941 2.497 0.858 0.543 0.933 0.833 CB 1.736 31 residues pruned to eliminate duplicates Z: 56 61.225 2.443 0.848 0.601 0.945 0.709 CB 1.757 56 residues pruned to eliminate duplicates Z: 33 34.952 2.382 0.684 0.509 0.938 0.656 CB 1.628 33 residues pruned to eliminate duplicates Z: 47 48.855 2.352 0.986 0.508 0.891 0.609 CB 1.715 47 residues pruned to eliminate duplicates Z: 68 45.919 2.236 0.909 0.426 0.866 0.478 CB 1.639 68 residues pruned to eliminate duplicates Z: 49 36.093 2.310 0.812 0.400 0.854 0.583 CB 1.620 49 residues pruned to eliminate duplicates Z: 12 24.804 2.213 1.121 0.598 1.000 0.727 CB 1.451 12 residues pruned to eliminate duplicates Z: 9 29.714 2.653 1.115 0.536 1.000 0.750 CB 1.807 9 residues pruned to eliminate duplicates Z: 19 24.428 2.443 0.987 0.390 0.778 0.556 CB 1.714 19 residues pruned to eliminate duplicates Z: 11 25.201 2.358 1.019 0.533 0.900 0.700 CB 1.800 11 residues pruned to eliminate duplicates Z: 13 24.874 2.261 1.150 0.505 0.917 0.833 CB 1.603 13 residues pruned to eliminate duplicates Z: 13 18.932 2.207 1.037 0.484 0.833 0.750 CB 1.483 13 residues pruned to eliminate duplicates Z: 46 67.701 2.540 1.292 0.530 0.889 0.644 CB 1.893 46 residues pruned to eliminate duplicates Z: 8 11.501 2.165 0.601 0.472 0.857 0.714 CB 1.506 8 residues pruned to eliminate duplicates Z: 34 57.125 2.468 1.247 0.614 0.879 0.697 CB 1.831 34 residues pruned to eliminate duplicates Z: 15 32.989 2.481 1.257 0.476 0.857 0.643 CA 1.882 15 residues pruned to eliminate duplicates Z: 80 65.772 2.413 1.005 0.467 0.886 0.646 CB 1.785 80 residues pruned to eliminate duplicates Z: 96 67.618 2.393 0.973 0.438 0.895 0.611 CB 1.751 96 residues pruned to eliminate duplicates Z: 18 44.788 2.570 1.495 0.544 0.941 0.824 CB 1.723 18 residues pruned to eliminate duplicates Z: 24 41.430 2.348 1.085 0.595 0.826 0.652 C 1.951 24 residues pruned to eliminate duplicates Z: 64 52.206 2.380 0.891 0.486 0.905 0.587 CB 1.638 64 residues pruned to eliminate duplicates Z: 34 55.235 2.441 1.182 0.554 0.939 0.636 CB 1.823 34 residues pruned to eliminate duplicates Z: 34 54.786 2.472 1.212 0.559 0.939 0.636 CB 1.753 34 residues pruned to eliminate duplicates Z: 71 61.247 2.384 0.983 0.473 0.914 0.643 CB 1.742 71 residues pruned to eliminate duplicates Z: 24 37.439 2.321 0.854 0.619 0.913 0.652 CB 1.776 24 residues pruned to eliminate duplicates Z: 66 58.175 2.396 0.846 0.482 0.938 0.646 CB 1.770 66 residues pruned to eliminate duplicates Z: 16 53.210 2.628 1.132 0.755 0.933 0.667 CB 2.093 16 residues pruned to eliminate duplicates Z: 24 49.651 2.497 1.139 0.590 0.913 0.696 CB 1.948 24 residues pruned to eliminate duplicates Z: 17 46.377 2.496 1.139 0.753 0.875 0.812 CA 1.981 17 residues pruned to eliminate duplicates Z: 40 43.029 2.388 1.085 0.508 0.872 0.615 CB 1.574 40 residues pruned to eliminate duplicates Z: 17 49.021 2.560 0.940 0.711 1.000 0.688 CB 2.037 17 residues pruned to eliminate duplicates Z: 40 59.344 2.455 1.340 0.542 0.846 0.718 CB 1.876 40 residues pruned to eliminate duplicates Z: 79 62.220 2.425 0.930 0.464 0.897 0.679 CB 1.740 79 residues pruned to eliminate duplicates Z: 15 18.746 2.124 0.874 0.423 0.857 0.571 CA 1.591 15 residues pruned to eliminate duplicates Z: 16 59.307 2.630 1.410 0.784 0.933 0.733 CB 2.015 16 residues pruned to eliminate duplicates Z: 17 54.045 2.620 1.203 0.745 0.938 0.750 CB 2.006 17 residues pruned to eliminate duplicates Z: 22 48.889 2.528 1.238 0.599 0.905 0.714 CB 1.895 22 residues pruned to eliminate duplicates Z: 24 36.893 2.380 1.290 0.564 0.826 0.304 CB 1.606 24 residues pruned to eliminate duplicates Z: 23 50.767 2.507 1.403 0.606 0.909 0.591 CB 1.787 23 residues pruned to eliminate duplicates Z: 66 51.571 2.299 0.968 0.444 0.892 0.554 CB 1.678 66 residues pruned to eliminate duplicates Z: 22 28.751 2.230 1.039 0.456 0.810 0.476 CB 1.783 22 residues pruned to eliminate duplicates Z: 35 47.185 2.429 0.964 0.510 0.941 0.588 CB 1.784 35 residues pruned to eliminate duplicates Z: 126 70.366 2.426 0.804 0.413 0.912 0.568 CB 1.727 126 residues pruned to eliminate duplicates Z: 53 61.256 2.448 1.070 0.538 0.904 0.500 CB 1.786 53 residues pruned to eliminate duplicates Z: 74 42.518 2.311 0.841 0.368 0.836 0.575 CB 1.612 74 residues pruned to eliminate duplicates Z: 70 44.738 2.351 0.828 0.397 0.841 0.623 CB 1.663 70 residues pruned to eliminate duplicates Z: 50 43.171 2.325 0.861 0.406 0.939 0.592 CB 1.677 50 residues pruned to eliminate duplicates Z: 55 39.004 2.304 0.867 0.361 0.889 0.667 CB 1.612 55 residues pruned to eliminate duplicates Z: 59 50.153 2.342 0.889 0.432 0.931 0.655 CB 1.715 59 residues pruned to eliminate duplicates Z: 64 51.079 2.318 0.888 0.433 0.905 0.635 CB 1.742 64 residues pruned to eliminate duplicates Z: 64 50.807 2.350 0.925 0.415 0.905 0.667 CB 1.709 64 residues pruned to eliminate duplicates Z: 65 39.344 2.270 0.829 0.368 0.828 0.547 CB 1.647 65 residues pruned to eliminate duplicates Z: 68 60.341 2.411 1.046 0.464 0.881 0.597 CB 1.760 68 residues pruned to eliminate duplicates Z: 53 64.551 2.458 1.173 0.553 0.885 0.654 CB 1.799 53 residues pruned to eliminate duplicates Z: 64 48.012 2.343 0.895 0.411 0.905 0.603 CB 1.652 64 residues pruned to eliminate duplicates Z: 50 42.131 2.326 0.917 0.408 0.898 0.592 CB 1.655 50 residues pruned to eliminate duplicates Z: 79 66.839 2.393 0.972 0.470 0.936 0.615 CB 1.767 79 residues pruned to eliminate duplicates Z: 65 46.115 2.311 0.862 0.408 0.906 0.609 CB 1.628 65 residues pruned to eliminate duplicates Z: 33 41.033 2.375 0.897 0.499 0.938 0.594 CB 1.720 33 residues pruned to eliminate duplicates Z: 86 62.138 2.376 0.996 0.447 0.882 0.612 CB 1.701 86 residues pruned to eliminate duplicates Z: 48 42.783 2.305 0.938 0.424 0.915 0.638 CB 1.653 48 residues pruned to eliminate duplicates Z: 67 47.716 2.375 0.818 0.394 0.894 0.591 CB 1.702 67 residues pruned to eliminate duplicates Z: 50 39.758 2.314 0.904 0.381 0.898 0.592 CB 1.630 50 residues pruned to eliminate duplicates Z: 68 48.747 2.378 0.925 0.381 0.881 0.552 CB 1.676 68 residues pruned to eliminate duplicates Z: 85 62.669 2.394 1.004 0.448 0.869 0.667 CB 1.729 85 residues pruned to eliminate duplicates Z: 53 39.582 2.277 0.798 0.408 0.885 0.577 CB 1.670 53 residues pruned to eliminate duplicates Z: 60 45.601 2.298 0.947 0.444 0.864 0.644 CB 1.627 60 residues pruned to eliminate duplicates Z: 70 59.402 2.379 0.981 0.475 0.884 0.609 CB 1.761 70 residues pruned to eliminate duplicates Z: 68 44.511 2.342 0.846 0.385 0.866 0.612 CB 1.642 68 residues pruned to eliminate duplicates Z: 74 51.005 2.366 0.879 0.377 0.890 0.575 CB 1.720 74 residues pruned to eliminate duplicates Z: 77 55.610 2.295 1.037 0.447 0.868 0.566 CB 1.659 77 residues pruned to eliminate duplicates Z: 65 68.332 2.419 1.134 0.510 0.938 0.656 CB 1.747 65 residues pruned to eliminate duplicates Z: 42 47.934 2.341 0.923 0.490 0.976 0.683 CB 1.721 42 residues pruned to eliminate duplicates Z: 44 43.835 2.329 0.828 0.468 0.953 0.651 CB 1.702 44 residues pruned to eliminate duplicates Z: 70 46.784 2.336 0.964 0.370 0.870 0.551 CB 1.623 70 residues pruned to eliminate duplicates Z: 52 45.330 2.340 1.014 0.385 0.902 0.627 CB 1.687 52 residues pruned to eliminate duplicates Z: 62 50.717 2.381 0.966 0.415 0.885 0.623 CB 1.712 62 residues pruned to eliminate duplicates Z: 104 73.384 2.419 1.100 0.440 0.874 0.602 CB 1.732 104 residues pruned to eliminate duplicates Z: 60 48.253 2.316 0.916 0.425 0.881 0.610 CB 1.736 60 residues pruned to eliminate duplicates Z: 48 40.863 2.326 0.897 0.401 0.894 0.617 CB 1.678 48 residues pruned to eliminate duplicates Z: 156 74.164 2.358 0.833 0.436 0.890 0.574 CB 1.653 156 residues pruned to eliminate duplicates Z: 63 52.724 2.348 1.027 0.418 0.887 0.645 CB 1.728 63 residues pruned to eliminate duplicates Z: 64 42.425 2.268 0.832 0.394 0.857 0.571 CB 1.679 64 residues pruned to eliminate duplicates Z: 89 61.740 2.378 1.018 0.433 0.852 0.580 CB 1.724 89 residues pruned to eliminate duplicates Z: 51 46.424 2.313 1.053 0.421 0.900 0.680 CB 1.668 51 residues pruned to eliminate duplicates Z: 66 49.998 2.280 0.987 0.428 0.908 0.677 CB 1.625 66 residues pruned to eliminate duplicates Z: 87 64.244 2.368 0.968 0.458 0.895 0.593 CB 1.733 87 residues pruned to eliminate duplicates Z: 19 16.348 2.241 0.823 0.306 0.722 0.611 CB 1.620 28 residues pruned to eliminate duplicates Z: 59 55.383 2.362 0.948 0.465 0.948 0.621 CB 1.726 59 residues pruned to eliminate duplicates Z: 88 57.503 2.355 0.944 0.413 0.897 0.632 CB 1.645 88 residues pruned to eliminate duplicates Z: 69 49.276 2.324 0.893 0.417 0.882 0.676 CB 1.678 69 residues pruned to eliminate duplicates Z: 70 55.576 2.372 0.986 0.410 0.913 0.667 CB 1.708 70 residues pruned to eliminate duplicates Z: 21 20.684 2.362 0.828 0.316 0.800 0.550 CB 1.640 21 residues pruned to eliminate duplicates Z: 32 25.874 2.109 0.629 0.465 0.871 0.484 CB 1.610 32 residues pruned to eliminate duplicates Z: 117 76.931 2.410 1.046 0.448 0.879 0.664 CB 1.737 122 residues pruned to eliminate duplicates Z: 8 3.604 1.540 0.781 0.448 0.857 0.571 CB 0.611 Z: 6 4.802 1.428 0.701 0.362 1.000 0.800 CA 1.026 Z: 7 8.997 1.777 0.792 0.462 0.833 0.500 N 1.439 Z: 6 5.316 2.014 1.466 0.375 0.400 0.400 C 1.368 Z: 7 11.387 1.953 0.940 0.457 0.833 0.333 CA 1.539 7 residues pruned to eliminate duplicates Z: 22 35.514 2.556 1.128 0.362 0.857 0.476 CB 1.930 35 residues pruned to eliminate duplicates Z: 23 26.587 2.453 0.871 0.277 0.818 0.409 CB 1.942 23 residues pruned to eliminate duplicates Z: 46 33.769 2.255 0.649 0.436 0.889 0.467 CB 1.628 46 residues pruned to eliminate duplicates Z: 39 47.440 2.401 0.889 0.537 0.947 0.605 CB 1.727 39 residues pruned to eliminate duplicates Z: 6 6.174 1.906 0.900 0.194 0.800 0.400 N 1.373 6 residues pruned to eliminate duplicates Z: 79 57.528 2.442 0.817 0.493 0.859 0.551 CB 1.720 79 residues pruned to eliminate duplicates Z: 37 32.803 2.327 0.714 0.447 0.917 0.528 CB 1.578 37 residues pruned to eliminate duplicates Z: 46 43.883 2.380 0.917 0.488 0.844 0.600 CB 1.718 46 residues pruned to eliminate duplicates Z: 53 39.375 2.253 0.737 0.447 0.885 0.481 CB 1.665 53 residues pruned to eliminate duplicates Z: 40 27.058 2.333 0.686 0.338 0.821 0.359 CB 1.603 47 residues pruned to eliminate duplicates Z: 50 46.166 2.432 0.795 0.453 0.898 0.490 CB 1.765 50 residues pruned to eliminate duplicates Z: 37 23.947 2.256 0.785 0.329 0.750 0.417 CB 1.594 37 residues pruned to eliminate duplicates Z: 51 47.386 2.426 0.770 0.524 0.860 0.520 CB 1.772 51 residues pruned to eliminate duplicates Z: 52 47.684 2.411 0.776 0.492 0.882 0.588 CB 1.783 52 residues pruned to eliminate duplicates Z: 77 57.401 2.417 0.801 0.483 0.895 0.553 CB 1.719 77 residues pruned to eliminate duplicates Z: 67 53.135 2.429 0.676 0.521 0.924 0.667 CB 1.703 67 residues pruned to eliminate duplicates Z: 38 44.020 2.377 0.790 0.534 0.973 0.649 CB 1.690 38 residues pruned to eliminate duplicates Z: 34 34.210 2.354 0.602 0.568 0.879 0.515 CB 1.682 34 residues pruned to eliminate duplicates Z: 41 33.873 2.313 0.694 0.467 0.875 0.500 CB 1.615 41 residues pruned to eliminate duplicates Z: 57 60.357 2.405 0.822 0.581 0.982 0.643 CB 1.734 57 residues pruned to eliminate duplicates Z: 47 37.941 2.361 0.717 0.471 0.891 0.565 CB 1.595 47 residues pruned to eliminate duplicates Z: 29 41.847 2.380 0.750 0.665 0.964 0.643 CB 1.691 29 residues pruned to eliminate duplicates Z: 150 80.557 2.396 0.910 0.468 0.866 0.624 CB 1.721 150 residues pruned to eliminate duplicates Z: 60 47.157 2.401 0.810 0.468 0.847 0.492 CB 1.723 60 residues pruned to eliminate duplicates Z: 30 40.347 2.341 0.674 0.609 0.966 0.621 CB 1.785 30 residues pruned to eliminate duplicates Z: 62 52.449 2.389 0.682 0.549 0.951 0.672 CB 1.676 62 residues pruned to eliminate duplicates Z: 58 54.586 2.420 0.821 0.565 0.912 0.649 CB 1.689 58 residues pruned to eliminate duplicates Z: 9 13.666 2.448 1.256 0.308 0.625 0.500 CA 1.733 9 residues pruned to eliminate duplicates Z: 32 41.968 2.431 0.946 0.497 0.935 0.677 CB 1.709 32 residues pruned to eliminate duplicates Z: 21 28.972 2.336 0.685 0.628 0.900 0.700 CB 1.622 21 residues pruned to eliminate duplicates Z: 33 37.245 2.391 0.805 0.483 0.969 0.688 CB 1.602 33 residues pruned to eliminate duplicates Z: 32 43.685 2.467 0.890 0.515 0.968 0.710 CB 1.713 32 residues pruned to eliminate duplicates Z: 65 49.120 2.377 0.844 0.470 0.891 0.625 CB 1.621 65 residues pruned to eliminate duplicates Z: 32 35.846 2.437 0.700 0.520 0.935 0.710 CB 1.628 32 residues pruned to eliminate duplicates Z: 20 33.027 2.398 0.670 0.671 0.947 0.789 CB 1.706 20 residues pruned to eliminate duplicates Z: 79 64.814 2.489 0.919 0.530 0.846 0.641 CB 1.763 79 residues pruned to eliminate duplicates Z: 22 34.454 2.326 0.886 0.616 0.905 0.762 CB 1.697 22 residues pruned to eliminate duplicates Z: 21 35.642 2.320 0.907 0.626 0.950 0.750 CB 1.684 21 residues pruned to eliminate duplicates Z: 56 64.637 2.464 0.984 0.586 0.945 0.655 CB 1.736 56 residues pruned to eliminate duplicates Z: 22 31.709 2.285 0.813 0.612 0.952 0.857 CB 1.577 22 residues pruned to eliminate duplicates Z: 32 41.144 2.470 0.931 0.517 0.935 0.742 CB 1.628 32 residues pruned to eliminate duplicates Z: 22 35.739 2.334 0.951 0.617 0.905 0.667 CB 1.695 22 residues pruned to eliminate duplicates Z: 33 40.551 2.433 1.053 0.502 0.906 0.688 CB 1.581 33 residues pruned to eliminate duplicates Z: 37 43.246 2.444 0.974 0.517 0.833 0.583 CB 1.762 37 residues pruned to eliminate duplicates Z: 22 13.518 1.940 0.557 0.335 0.810 0.667 CB 1.445 25 residues pruned to eliminate duplicates Z: 6 7.042 1.658 0.894 0.240 1.000 0.800 C 1.356 7 residues pruned to eliminate duplicates Z: 6 4.452 1.775 0.740 0.262 0.800 0.800 CA 1.058 6 residues pruned to eliminate duplicates Z: 16 18.188 2.149 0.639 0.478 0.867 0.800 CA 1.573 16 residues pruned to eliminate duplicates Z: 22 15.590 1.961 0.517 0.420 0.810 0.619 CA 1.536 22 residues pruned to eliminate duplicates Z: 19 16.645 2.065 0.556 0.370 0.889 0.667 CB 1.578 15 residues pruned to eliminate duplicates Z: 6 7.610 1.596 0.675 0.447 1.000 0.600 N 1.344 6 residues pruned to eliminate duplicates Z: 29 16.474 1.960 0.424 0.420 0.786 0.500 CA 1.543 29 residues pruned to eliminate duplicates Z: 24 13.585 2.007 0.473 0.357 0.783 0.609 CB 1.428 24 residues pruned to eliminate duplicates Z: 21 18.183 2.036 0.563 0.457 0.900 0.650 CA 1.483 21 residues pruned to eliminate duplicates Z: 22 23.809 2.181 0.669 0.472 0.905 0.619 CA 1.623 22 residues pruned to eliminate duplicates Z: 15 9.814 1.810 0.498 0.428 0.857 0.500 CB 1.216 15 residues pruned to eliminate duplicates Z: 8 10.529 1.993 0.484 0.531 1.000 0.857 CB 1.304 8 residues pruned to eliminate duplicates Z: 10 7.581 1.942 0.557 0.531 0.778 0.556 CB 1.042 10 residues pruned to eliminate duplicates Z: 10 7.365 1.978 0.559 0.423 0.778 0.444 CB 1.110 10 residues pruned to eliminate duplicates Z: 16 14.057 1.967 0.689 0.523 0.800 0.600 CB 1.335 16 residues pruned to eliminate duplicates Z: 10 9.916 1.893 0.660 0.511 0.778 0.556 CB 1.338 10 residues pruned to eliminate duplicates Z: 15 14.858 1.937 0.833 0.542 0.857 0.643 CB 1.252 15 residues pruned to eliminate duplicates Z: 80 41.625 2.222 0.703 0.411 0.873 0.595 CB 1.556 80 residues pruned to eliminate duplicates Z: 27 22.519 2.325 0.974 0.260 0.769 0.346 CB 1.646 27 residues pruned to eliminate duplicates Z: 24 24.918 2.385 1.028 0.319 0.739 0.391 CB 1.776 24 residues pruned to eliminate duplicates Z: 67 50.151 2.424 0.932 0.413 0.864 0.561 CB 1.673 67 residues pruned to eliminate duplicates Z: 14 34.502 2.612 1.324 0.346 0.923 0.538 CB 2.019 14 residues pruned to eliminate duplicates Z: 78 67.075 2.470 0.883 0.498 0.922 0.649 CB 1.786 79 residues pruned to eliminate duplicates Z: 7 14.396 2.242 1.099 0.248 1.000 0.333 CB 1.668 7 residues pruned to eliminate duplicates Z: 35 29.484 2.332 0.920 0.310 0.765 0.441 CB 1.824 35 residues pruned to eliminate duplicates Z: 40 36.002 2.247 0.739 0.487 0.872 0.590 CB 1.716 40 residues pruned to eliminate duplicates Z: 91 55.118 2.364 0.719 0.433 0.922 0.556 CB 1.661 91 residues pruned to eliminate duplicates Z: 50 50.844 2.478 0.848 0.502 0.878 0.571 CB 1.803 50 residues pruned to eliminate duplicates Z: 76 65.002 2.470 0.876 0.491 0.920 0.680 CB 1.777 76 residues pruned to eliminate duplicates Z: 50 52.748 2.451 0.880 0.469 0.898 0.612 CB 1.880 50 residues pruned to eliminate duplicates Z: 54 51.504 2.462 0.877 0.434 0.887 0.566 CB 1.848 54 residues pruned to eliminate duplicates Z: 60 57.568 2.422 0.852 0.538 0.932 0.678 CB 1.728 60 residues pruned to eliminate duplicates Z: 7 9.749 2.319 0.337 0.519 0.667 0.333 C 1.890 7 residues pruned to eliminate duplicates Z: 30 44.088 2.416 0.853 0.609 0.966 0.552 CB 1.709 30 residues pruned to eliminate duplicates Z: 45 50.561 2.299 0.965 0.534 0.932 0.659 CB 1.751 45 residues pruned to eliminate duplicates Z: 46 44.833 2.395 0.929 0.490 0.844 0.533 CB 1.731 46 residues pruned to eliminate duplicates Z: 61 59.096 2.391 0.833 0.573 0.950 0.683 CB 1.707 60 residues pruned to eliminate duplicates Z: 7 16.479 2.142 0.927 0.444 1.000 0.833 CA 1.727 7 residues pruned to eliminate duplicates Z: 46 50.795 2.425 0.900 0.494 0.889 0.533 CB 1.860 46 residues pruned to eliminate duplicates Z: 44 56.695 2.507 0.992 0.535 0.930 0.512 CB 1.799 44 residues pruned to eliminate duplicates Z: 60 51.342 2.389 0.713 0.557 0.915 0.644 CB 1.689 60 residues pruned to eliminate duplicates Z: 29 47.247 2.407 0.987 0.640 0.929 0.500 CB 1.764 29 residues pruned to eliminate duplicates Z: 76 63.533 2.444 0.984 0.489 0.907 0.640 CB 1.688 76 residues pruned to eliminate duplicates Z: 67 61.542 2.434 0.854 0.519 0.939 0.591 CB 1.754 67 residues pruned to eliminate duplicates Z: 15 36.719 2.438 0.734 0.918 0.857 0.786 CB 1.910 15 residues pruned to eliminate duplicates Z: 60 49.908 2.446 0.947 0.443 0.847 0.593 CB 1.707 60 residues pruned to eliminate duplicates Z: 55 52.721 2.392 0.908 0.532 0.963 0.704 CB 1.582 55 residues pruned to eliminate duplicates Z: 11 28.954 2.325 1.141 0.730 0.800 0.600 CB 1.870 11 residues pruned to eliminate duplicates Z: 44 42.281 2.435 0.911 0.421 0.814 0.465 CB 1.848 44 residues pruned to eliminate duplicates Z: 12 24.674 2.511 1.214 0.293 1.000 0.636 CB 1.688 12 residues pruned to eliminate duplicates Z: 31 37.107 2.446 0.738 0.516 0.967 0.767 CB 1.623 31 residues pruned to eliminate duplicates Z: 19 28.049 2.542 1.122 0.281 0.944 0.667 CB 1.661 19 residues pruned to eliminate duplicates Z: 45 52.203 2.466 0.977 0.506 0.955 0.545 CB 1.681 45 residues pruned to eliminate duplicates Z: 74 64.865 2.424 1.054 0.473 0.932 0.685 CB 1.682 75 residues pruned to eliminate duplicates Z: 7 7.320 2.086 0.751 0.344 0.833 0.667 CA 1.163 7 residues pruned to eliminate duplicates Z: 84 54.819 2.342 0.889 0.425 0.880 0.627 CB 1.672 84 residues pruned to eliminate duplicates Z: 52 42.511 2.323 0.730 0.485 0.941 0.549 CB 1.598 52 residues pruned to eliminate duplicates Z: 14 19.215 2.313 1.034 0.296 0.923 0.462 CB 1.541 14 residues pruned to eliminate duplicates Z: 88 64.439 2.350 1.030 0.486 0.897 0.552 CB 1.638 88 residues pruned to eliminate duplicates Z: 24 27.988 2.123 1.166 0.448 0.913 0.696 CB 1.467 24 residues pruned to eliminate duplicates Z: 33 36.493 2.201 0.949 0.596 0.906 0.688 CB 1.514 33 residues pruned to eliminate duplicates Z: 11 23.676 2.215 1.194 0.622 0.900 0.900 CB 1.526 11 residues pruned to eliminate duplicates Z: 116 59.017 2.275 0.828 0.425 0.870 0.635 CB 1.646 116 residues pruned to eliminate duplicates Z: 10 24.751 2.343 1.194 0.680 0.889 0.778 CB 1.530 10 residues pruned to eliminate duplicates Z: 18 31.351 2.346 1.281 0.481 0.882 0.647 CB 1.642 18 residues pruned to eliminate duplicates Z: 17 35.824 2.369 1.214 0.509 1.000 0.750 CB 1.691 17 residues pruned to eliminate duplicates Z: 42 44.726 2.299 0.934 0.519 0.951 0.732 CB 1.621 42 residues pruned to eliminate duplicates Z: 30 36.635 2.363 1.304 0.408 0.897 0.655 CB 1.536 30 residues pruned to eliminate duplicates Z: 84 51.509 2.287 0.777 0.466 0.867 0.627 CB 1.659 84 residues pruned to eliminate duplicates Z: 107 61.586 2.283 0.890 0.447 0.915 0.604 CB 1.600 107 residues pruned to eliminate duplicates Z: 33 33.954 2.211 0.905 0.603 0.844 0.750 CB 1.532 33 residues pruned to eliminate duplicates Z: 19 28.798 2.241 1.048 0.470 0.889 0.778 CB 1.716 19 residues pruned to eliminate duplicates Z: 97 53.297 2.246 0.783 0.457 0.885 0.594 CB 1.603 97 residues pruned to eliminate duplicates Z: 23 30.079 2.152 0.833 0.626 0.864 0.636 CB 1.673 23 residues pruned to eliminate duplicates Z: 72 49.852 2.260 0.798 0.482 0.901 0.676 CB 1.645 72 residues pruned to eliminate duplicates Z: 38 41.009 2.197 0.913 0.618 0.919 0.757 CB 1.561 38 residues pruned to eliminate duplicates Z: 31 38.932 2.245 0.948 0.601 0.900 0.700 CB 1.640 31 residues pruned to eliminate duplicates Z: 49 40.582 2.175 1.034 0.547 0.854 0.625 CB 1.480 49 residues pruned to eliminate duplicates Z: 45 39.825 2.225 0.755 0.515 0.886 0.727 CB 1.708 45 residues pruned to eliminate duplicates Z: 96 53.009 2.285 0.824 0.446 0.863 0.621 CB 1.599 96 residues pruned to eliminate duplicates Z: 73 44.992 2.274 0.680 0.457 0.903 0.625 CB 1.607 73 residues pruned to eliminate duplicates Z: 22 36.207 2.168 0.909 0.688 1.000 0.762 CB 1.607 22 residues pruned to eliminate duplicates Z: 83 50.450 2.304 0.734 0.449 0.902 0.598 CB 1.628 83 residues pruned to eliminate duplicates Z: 17 22.587 2.083 0.555 0.680 0.938 0.625 CA 1.575 17 residues pruned to eliminate duplicates Z: 103 52.264 2.267 0.769 0.441 0.873 0.598 CB 1.573 103 residues pruned to eliminate duplicates Z: 16 29.804 2.150 0.787 0.761 1.000 0.733 CB 1.589 16 residues pruned to eliminate duplicates Z: 30 43.434 2.231 1.040 0.637 0.931 0.690 CB 1.673 30 residues pruned to eliminate duplicates Z: 15 21.488 2.115 0.720 0.705 0.857 0.429 CB 1.529 15 residues pruned to eliminate duplicates Z: 13 27.764 2.133 0.982 0.808 0.917 0.583 CB 1.581 13 residues pruned to eliminate duplicates Z: 24 14.759 1.973 0.656 0.393 0.739 0.391 CB 1.427 24 residues pruned to eliminate duplicates Z: 67 46.805 2.342 0.850 0.404 0.879 0.606 CB 1.674 67 residues pruned to eliminate duplicates Z: 6 6.211 2.211 0.591 0.210 0.800 0.400 CB 1.391 6 residues pruned to eliminate duplicates Z: 69 45.248 2.314 0.845 0.389 0.868 0.588 CB 1.667 69 residues pruned to eliminate duplicates Z: 92 57.301 2.272 0.830 0.454 0.890 0.659 CB 1.702 92 residues pruned to eliminate duplicates Z: 72 48.432 2.241 0.847 0.465 0.887 0.592 CB 1.622 72 residues pruned to eliminate duplicates Z: 90 51.546 2.279 0.827 0.421 0.876 0.562 CB 1.625 90 residues pruned to eliminate duplicates Z: 101 54.837 2.288 0.882 0.446 0.840 0.600 CB 1.603 101 residues pruned to eliminate duplicates Z: 104 56.641 2.261 0.883 0.469 0.854 0.602 CB 1.583 104 residues pruned to eliminate duplicates Z: 69 44.654 2.301 0.866 0.402 0.868 0.618 CB 1.612 69 residues pruned to eliminate duplicates Z: 63 47.248 2.318 0.861 0.409 0.919 0.565 CB 1.665 63 residues pruned to eliminate duplicates Z: 50 40.767 2.290 0.844 0.426 0.898 0.673 CB 1.658 50 residues pruned to eliminate duplicates Z: 48 40.827 2.315 0.847 0.413 0.915 0.702 CB 1.668 48 residues pruned to eliminate duplicates Z: 79 47.331 2.282 0.779 0.451 0.872 0.577 CB 1.592 79 residues pruned to eliminate duplicates Z: 90 45.126 2.244 0.771 0.422 0.843 0.573 CB 1.549 90 residues pruned to eliminate duplicates Z: 66 40.943 2.261 0.800 0.392 0.862 0.600 CB 1.624 66 residues pruned to eliminate duplicates Z: 67 43.207 2.335 0.753 0.379 0.894 0.591 CB 1.654 67 residues pruned to eliminate duplicates Z: 72 47.767 2.312 0.873 0.406 0.887 0.634 CB 1.628 72 residues pruned to eliminate duplicates Z: 91 54.823 2.277 0.888 0.431 0.900 0.678 CB 1.605 91 residues pruned to eliminate duplicates Z: 67 47.025 2.249 0.829 0.463 0.924 0.621 CB 1.580 67 residues pruned to eliminate duplicates Z: 112 57.473 2.261 0.901 0.442 0.874 0.595 CB 1.542 112 residues pruned to eliminate duplicates Z: 102 54.757 2.248 0.850 0.438 0.891 0.644 CB 1.568 102 residues pruned to eliminate duplicates Z: 74 44.288 2.276 0.834 0.385 0.890 0.616 CB 1.576 74 residues pruned to eliminate duplicates Z: 56 38.567 2.257 0.873 0.394 0.891 0.564 CB 1.546 56 residues pruned to eliminate duplicates Z: 106 54.469 2.225 0.917 0.435 0.848 0.571 CB 1.573 106 residues pruned to eliminate duplicates Z: 72 50.049 2.286 0.903 0.463 0.873 0.563 CB 1.624 72 residues pruned to eliminate duplicates Z: 105 67.505 2.365 0.884 0.491 0.894 0.606 CB 1.676 105 residues pruned to eliminate duplicates Z: 58 35.656 2.289 0.750 0.357 0.877 0.614 CB 1.568 58 residues pruned to eliminate duplicates Z: 49 41.128 2.310 0.854 0.433 0.896 0.667 CB 1.658 49 residues pruned to eliminate duplicates Z: 63 44.425 2.307 0.851 0.411 0.903 0.548 CB 1.606 63 residues pruned to eliminate duplicates Z: 63 41.994 2.327 0.829 0.386 0.855 0.613 CB 1.655 63 residues pruned to eliminate duplicates Z: 38 38.143 2.321 0.980 0.446 0.892 0.595 CB 1.617 38 residues pruned to eliminate duplicates Z: 103 64.478 2.370 0.858 0.464 0.912 0.657 CB 1.649 103 residues pruned to eliminate duplicates Z: 43 37.947 2.289 0.843 0.416 0.929 0.619 CB 1.631 43 residues pruned to eliminate duplicates Z: 63 46.647 2.314 0.850 0.404 0.919 0.661 CB 1.665 63 residues pruned to eliminate duplicates Z: 54 37.574 2.304 0.817 0.387 0.868 0.623 CB 1.602 54 residues pruned to eliminate duplicates Z: 91 46.543 2.322 0.815 0.341 0.844 0.544 CB 1.639 91 residues pruned to eliminate duplicates Z: 45 42.492 2.297 0.828 0.452 0.955 0.659 CB 1.679 45 residues pruned to eliminate duplicates Z: 54 41.758 2.320 0.858 0.382 0.925 0.604 CB 1.633 54 residues pruned to eliminate duplicates Z: 102 57.194 2.329 0.794 0.445 0.911 0.644 CB 1.583 102 residues pruned to eliminate duplicates Z: 71 42.300 2.239 0.899 0.389 0.843 0.486 CB 1.588 71 residues pruned to eliminate duplicates Z: 61 44.017 2.318 0.883 0.395 0.867 0.617 CB 1.678 61 residues pruned to eliminate duplicates Z: 80 49.259 2.253 0.911 0.438 0.873 0.544 CB 1.572 80 residues pruned to eliminate duplicates Z: 54 41.254 2.336 0.889 0.376 0.887 0.623 CB 1.653 54 residues pruned to eliminate duplicates Z: 63 49.015 2.259 0.912 0.485 0.903 0.661 CB 1.620 63 residues pruned to eliminate duplicates Z: 49 39.874 2.306 0.928 0.427 0.875 0.667 CB 1.596 49 residues pruned to eliminate duplicates Z: 84 53.987 2.278 0.914 0.428 0.904 0.590 CB 1.620 84 residues pruned to eliminate duplicates Z: 116 71.407 2.400 0.941 0.438 0.887 0.565 CB 1.719 116 residues pruned to eliminate duplicates Z: 55 41.529 2.300 0.855 0.404 0.907 0.537 CB 1.614 55 residues pruned to eliminate duplicates Z: 77 45.411 2.264 0.837 0.385 0.882 0.553 CB 1.606 77 residues pruned to eliminate duplicates Z: 71 43.096 2.279 0.852 0.384 0.871 0.571 CB 1.585 71 residues pruned to eliminate duplicates Z: 16 18.539 2.294 0.724 0.418 0.867 0.600 CB 1.521 16 residues pruned to eliminate duplicates Z: 27 18.207 2.180 0.769 0.312 0.808 0.500 CB 1.413 27 residues pruned to eliminate duplicates 6 1.518 1.582 0.206 0.361 0.800 0.400 CB 0.517 ? Z: 68 39.874 2.267 0.814 0.404 0.836 0.612 CB 1.568 68 residues pruned to eliminate duplicates Z: 72 45.219 2.294 0.920 0.382 0.887 0.592 CB 1.558 72 residues pruned to eliminate duplicates Z: 68 43.406 2.319 0.836 0.406 0.866 0.597 CB 1.588 68 residues pruned to eliminate duplicates Z: 21 19.191 2.107 0.757 0.393 0.850 0.700 CB 1.528 21 residues pruned to eliminate duplicates Z: 10 24.283 2.164 1.259 0.529 0.889 0.556 CB 1.810 10 residues pruned to eliminate duplicates Z: 18 14.404 2.118 0.560 0.274 0.824 0.529 CB 1.659 18 residues pruned to eliminate duplicates Z: 97 56.772 2.262 0.879 0.451 0.875 0.635 CB 1.638 97 residues pruned to eliminate duplicates Z: 24 19.761 2.097 0.731 0.345 0.783 0.565 CB 1.717 24 residues pruned to eliminate duplicates Z: 139 77.348 2.394 0.897 0.456 0.884 0.630 CB 1.716 139 residues pruned to eliminate duplicates Z: 51 53.078 2.454 1.037 0.501 0.820 0.580 CB 1.830 51 residues pruned to eliminate duplicates Z: 78 70.438 2.467 0.962 0.513 0.909 0.610 CB 1.800 78 residues pruned to eliminate duplicates Z: 25 29.785 2.399 1.112 0.330 0.875 0.458 CB 1.653 25 residues pruned to eliminate duplicates Z: 77 50.412 2.299 0.937 0.386 0.882 0.539 CB 1.662 77 residues pruned to eliminate duplicates Z: 25 25.191 2.439 0.849 0.339 0.833 0.458 CB 1.631 25 residues pruned to eliminate duplicates Z: 74 61.831 2.443 0.978 0.483 0.918 0.630 CB 1.660 74 residues pruned to eliminate duplicates Z: 20 33.026 2.308 0.843 0.676 0.947 0.684 CB 1.599 19 residues pruned to eliminate duplicates Z: 15 30.675 2.106 0.848 0.929 1.000 0.857 CB 1.475 15 residues pruned to eliminate duplicates Z: 15 33.984 2.131 0.945 0.861 1.000 0.857 CB 1.609 15 residues pruned to eliminate duplicates Z: 14 40.637 2.282 1.044 0.930 1.000 0.846 CB 1.691 15 residues pruned to eliminate duplicates Z: 15 35.663 2.159 0.993 0.908 1.000 0.786 CB 1.574 15 residues pruned to eliminate duplicates Z: 21 29.979 2.240 1.003 0.648 0.900 0.600 CB 1.445 21 residues pruned to eliminate duplicates Z: 31 43.058 2.430 1.060 0.538 0.933 0.633 CB 1.620 31 residues pruned to eliminate duplicates Z: 32 36.297 2.362 0.968 0.528 0.903 0.452 CB 1.511 32 residues pruned to eliminate duplicates Z: 21 29.870 2.250 0.940 0.655 0.900 0.800 CB 1.472 21 residues pruned to eliminate duplicates Z: 20 34.217 2.323 0.908 0.686 0.947 0.737 CB 1.576 20 residues pruned to eliminate duplicates 368 residues left after pruning, divided into chains as follows: A: 171 B: 6 C: 191 CC for partial structure against native data = 41.15 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.528, Connect. = 0.759 for dens.mod. cycle 1 = 0.300, Contrast = 0.610, Connect. = 0.789 for dens.mod. cycle 2 = 0.300, Contrast = 0.726, Connect. = 0.817 for dens.mod. cycle 3 = 0.300, Contrast = 0.740, Connect. = 0.820 for dens.mod. cycle 4 = 0.300, Contrast = 0.754, Connect. = 0.822 for dens.mod. cycle 5 = 0.300, Contrast = 0.760, Connect. = 0.824 for dens.mod. cycle 6 = 0.300, Contrast = 0.766, Connect. = 0.826 for dens.mod. cycle 7 = 0.300, Contrast = 0.769, Connect. = 0.826 for dens.mod. cycle 8 = 0.300, Contrast = 0.772, Connect. = 0.827 for dens.mod. cycle 9 = 0.300, Contrast = 0.773, Connect. = 0.828 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2630 peaks > 0.5 sigma used to seed fragment search Space for about 560 unique residues taking solvent into account 610 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 21 27.196 2.501 1.117 0.373 0.800 0.550 CB 1.644 B: 21 19.037 2.433 0.806 0.254 0.800 0.550 CB 1.607 21 residues pruned to eliminate duplicates C: 11 58.847 2.668 1.261 0.914 1.000 0.800 CA 2.182 D: 13 41.444 2.374 1.127 0.833 0.917 0.833 CA 1.938 12 residues pruned to eliminate duplicates E: 13 27.100 2.327 0.348 0.907 1.000 0.917 CB 1.773 F: 95 70.341 2.376 1.014 0.471 0.894 0.670 CB 1.747 12 residues pruned to eliminate duplicates G: 13 36.751 2.296 1.003 0.841 0.917 0.833 CA 1.877 13 residues pruned to eliminate duplicates H: 17 45.694 2.301 0.956 0.885 1.000 0.625 CB 1.832 I: 11 60.961 2.679 1.304 0.931 1.000 1.000 CA 2.182 11 residues pruned to eliminate duplicates J: 17 34.658 2.300 0.891 0.883 0.875 0.688 CB 1.646 17 residues pruned to eliminate duplicates K: 52 63.757 2.483 1.047 0.565 0.902 0.647 CB 1.828 52 residues pruned to eliminate duplicates L: 12 26.419 2.268 1.235 0.525 0.909 0.909 CB 1.686 10 residues pruned to eliminate duplicates M: 15 24.247 2.129 0.638 0.795 0.857 0.643 CB 1.674 15 residues pruned to eliminate duplicates N: 13 44.476 2.292 1.221 0.903 1.000 0.750 CA 1.797 13 residues pruned to eliminate duplicates O: 57 67.793 2.512 1.088 0.534 0.875 0.625 CB 1.908 58 residues pruned to eliminate duplicates P: 15 44.512 2.490 0.904 0.916 0.929 0.857 CB 1.908 15 residues pruned to eliminate duplicates Q: 73 54.753 2.394 0.832 0.493 0.875 0.653 CB 1.693 46 residues pruned to eliminate duplicates R: 8 8.035 1.915 0.095 0.687 0.857 0.429 CA 1.424 S: 45 58.961 2.501 1.046 0.528 0.886 0.500 CB 1.906 T: 13 32.625 2.275 0.797 0.859 1.000 0.917 CA 1.695 13 residues pruned to eliminate duplicates U: 12 10.462 1.987 0.727 0.451 0.727 0.545 CA 1.329 V: 12 44.546 2.495 1.001 0.901 1.000 0.909 CA 1.920 12 residues pruned to eliminate duplicates W: 133 77.851 2.385 0.967 0.467 0.879 0.568 CB 1.700 129 residues pruned to eliminate duplicates X: 13 17.355 2.513 1.096 0.329 0.833 0.667 CB 1.377 Y: 15 23.666 2.113 0.416 0.901 1.000 0.857 CB 1.509 Z: 12 27.324 2.169 1.387 0.646 0.909 0.636 CB 1.527 12 residues pruned to eliminate duplicates Z: 17 37.327 2.315 0.743 0.917 0.938 0.562 CB 1.741 17 residues pruned to eliminate duplicates Z: 47 55.646 2.493 0.917 0.503 0.891 0.565 CB 1.920 48 residues pruned to eliminate duplicates Z: 32 38.039 2.239 0.863 0.605 0.903 0.710 CB 1.641 Z: 12 54.738 2.570 1.255 0.903 1.000 0.727 CA 2.030 12 residues pruned to eliminate duplicates Z: 13 30.702 2.626 1.288 0.354 0.917 0.583 CB 1.885 13 residues pruned to eliminate duplicates Z: 18 39.766 2.416 1.338 0.524 0.941 0.647 CB 1.772 19 residues pruned to eliminate duplicates Z: 13 32.496 2.385 0.607 0.936 1.000 1.000 CB 1.705 14 residues pruned to eliminate duplicates Z: 12 39.710 2.480 0.810 0.876 1.000 0.909 CA 1.938 12 residues pruned to eliminate duplicates Z: 58 56.030 2.406 0.811 0.575 0.930 0.579 CB 1.704 58 residues pruned to eliminate duplicates Z: 15 23.649 2.147 0.293 0.905 1.000 0.857 CB 1.621 15 residues pruned to eliminate duplicates Z: 15 12.907 2.189 0.686 0.233 0.786 0.643 CA 1.622 15 residues pruned to eliminate duplicates Z: 17 41.598 2.408 0.914 0.892 0.875 0.562 CB 1.852 17 residues pruned to eliminate duplicates Z: 16 39.123 2.359 0.704 0.867 1.000 0.667 CA 1.838 16 residues pruned to eliminate duplicates Z: 17 36.505 2.314 0.624 0.870 1.000 0.750 CB 1.773 17 residues pruned to eliminate duplicates Z: 49 54.401 2.453 0.984 0.509 0.896 0.583 CB 1.785 49 residues pruned to eliminate duplicates Z: 17 38.197 2.291 0.784 0.905 0.938 0.625 CB 1.773 17 residues pruned to eliminate duplicates Z: 31 41.235 2.444 0.777 0.555 0.967 0.767 CB 1.699 27 residues pruned to eliminate duplicates Z: 10 13.708 2.216 0.762 0.377 0.778 0.556 CA 1.716 Z: 15 28.098 2.154 0.436 0.897 1.000 1.000 CB 1.737 15 residues pruned to eliminate duplicates Z: 58 49.190 2.490 0.760 0.453 0.877 0.614 CB 1.779 68 residues pruned to eliminate duplicates Z: 90 54.807 2.282 0.785 0.460 0.899 0.640 CB 1.652 40 residues pruned to eliminate duplicates Z: 33 36.505 2.350 0.777 0.541 0.938 0.750 CB 1.583 33 residues pruned to eliminate duplicates Z: 20 37.930 2.522 1.120 0.410 0.947 0.632 CB 1.887 27 residues pruned to eliminate duplicates Z: 22 29.631 2.258 1.294 0.476 0.810 0.667 CB 1.579 22 residues pruned to eliminate duplicates Z: 16 42.455 2.440 0.794 0.906 0.933 0.733 CA 1.909 16 residues pruned to eliminate duplicates Z: 31 43.753 2.466 0.876 0.527 0.967 0.700 CB 1.739 31 residues pruned to eliminate duplicates Z: 17 19.022 2.235 0.643 0.484 0.875 0.625 CA 1.505 Z: 13 36.982 2.269 1.178 0.867 0.917 0.917 CB 1.724 13 residues pruned to eliminate duplicates Z: 20 18.475 2.130 0.789 0.382 0.895 0.579 CB 1.410 20 residues pruned to eliminate duplicates Z: 14 27.595 2.247 0.509 0.910 1.000 0.923 CB 1.601 14 residues pruned to eliminate duplicates Z: 82 59.957 2.354 0.979 0.442 0.901 0.630 CB 1.684 82 residues pruned to eliminate duplicates Z: 32 35.611 2.401 0.761 0.533 0.903 0.742 CB 1.621 32 residues pruned to eliminate duplicates Z: 17 39.920 2.392 1.098 0.712 0.875 0.750 CB 1.876 17 residues pruned to eliminate duplicates Z: 9 21.466 2.463 1.031 0.613 1.000 1.000 CB 1.364 9 residues pruned to eliminate duplicates Z: 34 29.603 2.294 0.937 0.353 0.848 0.485 CB 1.603 37 residues pruned to eliminate duplicates Z: 17 22.088 2.329 0.759 0.478 0.812 0.625 CA 1.695 17 residues pruned to eliminate duplicates Z: 64 58.841 2.491 1.093 0.439 0.857 0.587 CB 1.767 68 residues pruned to eliminate duplicates Z: 21 25.414 2.402 0.978 0.303 0.800 0.450 CB 1.862 21 residues pruned to eliminate duplicates Z: 14 27.628 2.259 0.511 0.894 1.000 0.923 CB 1.611 14 residues pruned to eliminate duplicates Z: 9 16.152 2.170 0.325 0.835 0.875 0.875 CA 1.700 9 residues pruned to eliminate duplicates Z: 11 17.788 2.143 0.497 0.753 0.900 0.600 CB 1.555 11 residues pruned to eliminate duplicates Z: 57 48.606 2.401 0.925 0.456 0.911 0.607 CB 1.614 57 residues pruned to eliminate duplicates Z: 58 58.211 2.449 0.817 0.607 0.965 0.579 CB 1.622 58 residues pruned to eliminate duplicates Z: 17 39.164 2.340 0.836 0.910 0.875 0.688 CB 1.847 17 residues pruned to eliminate duplicates Z: 37 30.607 2.394 0.919 0.350 0.806 0.417 CB 1.622 37 residues pruned to eliminate duplicates Z: 11 20.637 2.012 0.480 0.826 1.000 0.700 CA 1.654 11 residues pruned to eliminate duplicates Z: 14 12.555 1.853 0.555 0.516 0.846 0.462 CB 1.407 3 residues pruned to eliminate duplicates Z: 80 49.357 2.261 0.919 0.477 0.848 0.608 CB 1.544 80 residues pruned to eliminate duplicates Z: 39 55.197 2.480 1.051 0.576 0.921 0.684 CB 1.776 39 residues pruned to eliminate duplicates Z: 10 22.082 2.159 0.549 0.841 1.000 0.778 CB 1.641 10 residues pruned to eliminate duplicates Z: 79 65.727 2.436 0.971 0.526 0.872 0.692 CB 1.733 79 residues pruned to eliminate duplicates Z: 14 34.664 2.275 0.867 0.905 1.000 0.846 CB 1.611 14 residues pruned to eliminate duplicates Z: 18 16.490 2.314 0.975 0.221 0.824 0.294 CB 1.473 18 residues pruned to eliminate duplicates Z: 71 46.376 2.320 0.903 0.388 0.886 0.614 CB 1.597 71 residues pruned to eliminate duplicates Z: 15 33.891 2.307 0.513 0.909 1.000 0.929 CA 1.841 15 residues pruned to eliminate duplicates Z: 6 10.255 2.050 0.172 0.786 1.000 0.800 CA 1.485 6 residues pruned to eliminate duplicates Z: 92 53.460 2.239 0.866 0.443 0.901 0.615 CB 1.578 92 residues pruned to eliminate duplicates Z: 9 19.073 2.150 0.473 0.861 0.875 0.875 CA 1.788 9 residues pruned to eliminate duplicates Z: 21 32.080 2.324 0.614 0.679 1.000 0.750 CB 1.622 21 residues pruned to eliminate duplicates Z: 8 25.924 2.349 1.262 0.548 1.000 0.857 CB 1.760 8 residues pruned to eliminate duplicates Z: 20 27.990 2.355 1.037 0.453 0.842 0.684 CB 1.668 20 residues pruned to eliminate duplicates Z: 17 40.829 2.378 0.993 0.868 0.875 0.688 CB 1.800 17 residues pruned to eliminate duplicates Z: 8 15.606 1.859 0.654 0.725 1.000 0.857 C 1.566 8 residues pruned to eliminate duplicates Z: 13 45.102 2.287 1.283 0.884 1.000 0.667 CA 1.802 13 residues pruned to eliminate duplicates Z: 14 38.075 2.287 0.893 0.885 1.000 0.846 CB 1.761 15 residues pruned to eliminate duplicates Z: 16 39.775 2.438 0.711 0.888 0.933 0.800 CB 1.901 16 residues pruned to eliminate duplicates Z: 14 33.710 2.224 1.021 0.869 0.923 0.846 CB 1.646 14 residues pruned to eliminate duplicates Z: 15 31.851 2.167 0.689 0.932 1.000 0.714 CB 1.624 15 residues pruned to eliminate duplicates Z: 76 64.333 2.418 0.943 0.511 0.947 0.653 CB 1.653 73 residues pruned to eliminate duplicates Z: 17 36.508 2.274 0.689 0.905 0.938 0.938 CA 1.804 17 residues pruned to eliminate duplicates Z: 16 42.435 2.408 0.717 0.926 1.000 0.867 CA 1.858 16 residues pruned to eliminate duplicates Z: 75 49.561 2.256 0.954 0.435 0.905 0.662 CB 1.543 75 residues pruned to eliminate duplicates Z: 24 36.102 2.360 0.997 0.416 0.913 0.522 CA 1.910 24 residues pruned to eliminate duplicates Z: 16 36.025 2.409 0.563 0.909 0.933 0.867 CA 1.879 16 residues pruned to eliminate duplicates Z: 57 59.144 2.427 0.870 0.580 0.911 0.732 CB 1.771 57 residues pruned to eliminate duplicates Z: 87 64.854 2.336 1.025 0.454 0.919 0.628 CB 1.687 87 residues pruned to eliminate duplicates Z: 45 40.959 2.321 0.861 0.443 0.909 0.659 CB 1.667 45 residues pruned to eliminate duplicates Z: 82 44.727 2.255 0.789 0.404 0.852 0.630 CB 1.601 82 residues pruned to eliminate duplicates Z: 14 31.176 2.305 0.517 0.892 1.000 0.846 CB 1.775 14 residues pruned to eliminate duplicates Z: 20 26.475 2.259 1.114 0.428 0.895 0.737 CB 1.533 20 residues pruned to eliminate duplicates Z: 95 45.734 2.300 0.882 0.350 0.830 0.511 CB 1.545 95 residues pruned to eliminate duplicates Z: 79 70.085 2.402 1.093 0.485 0.910 0.603 CB 1.760 79 residues pruned to eliminate duplicates Z: 16 37.212 2.315 0.575 0.909 1.000 0.933 CB 1.870 16 residues pruned to eliminate duplicates Z: 15 23.942 2.152 0.475 0.842 0.929 0.786 CB 1.618 15 residues pruned to eliminate duplicates Z: 14 30.878 2.173 0.784 0.894 1.000 0.692 CB 1.584 15 residues pruned to eliminate duplicates Z: 17 32.233 2.347 0.463 0.850 0.938 0.875 CA 1.854 17 residues pruned to eliminate duplicates Z: 16 23.078 2.364 0.801 0.504 0.800 0.667 CA 1.742 16 residues pruned to eliminate duplicates Z: 17 40.258 2.291 0.925 0.881 0.938 0.750 CB 1.763 17 residues pruned to eliminate duplicates Z: 49 36.775 2.274 0.734 0.425 0.896 0.583 CB 1.625 49 residues pruned to eliminate duplicates Z: 7 8.642 2.064 0.128 0.768 0.833 0.500 CA 1.435 7 residues pruned to eliminate duplicates Z: 51 38.491 2.264 0.846 0.398 0.880 0.600 CB 1.648 51 residues pruned to eliminate duplicates Z: 63 38.973 2.293 0.795 0.388 0.855 0.565 CB 1.584 63 residues pruned to eliminate duplicates Z: 13 16.212 1.802 0.373 0.840 1.000 0.667 CA 1.412 13 residues pruned to eliminate duplicates Z: 95 64.762 2.345 0.997 0.474 0.872 0.628 CB 1.679 95 residues pruned to eliminate duplicates Z: 65 60.594 2.494 0.809 0.522 0.906 0.719 CB 1.813 65 residues pruned to eliminate duplicates Z: 6 11.478 2.055 0.450 0.783 1.000 1.000 CA 1.342 6 residues pruned to eliminate duplicates Z: 88 64.257 2.368 1.022 0.439 0.908 0.621 CB 1.687 88 residues pruned to eliminate duplicates Z: 15 33.147 2.159 0.761 0.901 1.000 0.786 CB 1.664 14 residues pruned to eliminate duplicates Z: 71 48.421 2.296 0.834 0.407 0.929 0.614 CB 1.632 71 residues pruned to eliminate duplicates Z: 16 23.887 2.075 0.360 0.936 1.000 1.000 CB 1.521 16 residues pruned to eliminate duplicates Z: 14 30.022 2.240 0.509 0.908 1.000 0.846 CB 1.749 14 residues pruned to eliminate duplicates Z: 17 18.625 2.245 0.625 0.442 0.812 0.562 CA 1.668 16 residues pruned to eliminate duplicates Z: 15 28.919 2.132 0.661 0.877 1.000 0.857 CB 1.585 14 residues pruned to eliminate duplicates Z: 11 20.805 2.024 0.632 0.812 1.000 0.800 CA 1.519 11 residues pruned to eliminate duplicates Z: 143 82.904 2.417 0.913 0.472 0.887 0.634 CB 1.744 143 residues pruned to eliminate duplicates Z: 18 20.140 2.290 0.654 0.400 0.824 0.529 CB 1.741 18 residues pruned to eliminate duplicates Z: 61 40.664 2.366 0.695 0.435 0.850 0.533 CB 1.647 61 residues pruned to eliminate duplicates Z: 89 63.577 2.344 1.010 0.440 0.920 0.625 CB 1.662 89 residues pruned to eliminate duplicates Z: 23 38.584 2.518 1.047 0.566 0.818 0.591 CB 1.830 23 residues pruned to eliminate duplicates Z: 20 31.661 2.342 0.487 0.727 1.000 0.842 CB 1.700 20 residues pruned to eliminate duplicates Z: 14 27.898 2.230 0.610 0.890 0.923 0.692 CB 1.681 15 residues pruned to eliminate duplicates Z: 18 12.103 2.166 0.819 0.342 0.588 0.529 CB 1.504 18 residues pruned to eliminate duplicates Z: 25 16.467 2.005 0.499 0.385 0.917 0.542 CB 1.379 Z: 44 51.485 2.500 0.886 0.526 0.907 0.651 CB 1.789 44 residues pruned to eliminate duplicates Z: 16 17.306 2.160 0.681 0.389 0.867 0.467 CA 1.597 16 residues pruned to eliminate duplicates Z: 158 85.581 2.393 0.900 0.473 0.917 0.599 CB 1.683 158 residues pruned to eliminate duplicates Z: 11 15.655 1.923 0.295 0.889 1.000 0.900 CA 1.431 11 residues pruned to eliminate duplicates Z: 71 41.977 2.270 0.878 0.369 0.871 0.557 CB 1.553 71 residues pruned to eliminate duplicates Z: 75 65.683 2.496 0.870 0.506 0.905 0.635 CB 1.795 75 residues pruned to eliminate duplicates Z: 81 55.412 2.289 0.836 0.521 0.900 0.637 CB 1.605 89 residues pruned to eliminate duplicates Z: 50 46.841 2.298 0.929 0.436 0.939 0.571 CB 1.717 50 residues pruned to eliminate duplicates Z: 66 55.337 2.482 0.701 0.525 0.908 0.692 CB 1.747 66 residues pruned to eliminate duplicates Z: 12 46.162 2.487 0.965 0.928 1.000 0.727 CA 1.994 12 residues pruned to eliminate duplicates Z: 13 27.041 2.228 1.157 0.575 0.917 0.917 CB 1.648 11 residues pruned to eliminate duplicates Z: 70 49.050 2.315 0.960 0.381 0.899 0.638 CB 1.644 70 residues pruned to eliminate duplicates Z: 8 11.393 1.916 1.129 0.423 0.857 0.571 C 1.335 8 residues pruned to eliminate duplicates Z: 16 14.830 2.033 0.647 0.385 0.867 0.733 CA 1.491 16 residues pruned to eliminate duplicates Z: 16 42.762 2.375 0.898 0.921 0.933 0.533 CB 1.847 16 residues pruned to eliminate duplicates Z: 88 60.849 2.352 1.025 0.434 0.897 0.621 CB 1.636 88 residues pruned to eliminate duplicates Z: 65 53.144 2.394 0.896 0.480 0.891 0.688 CB 1.677 65 residues pruned to eliminate duplicates Z: 26 20.340 2.225 0.695 0.312 0.840 0.520 CB 1.581 26 residues pruned to eliminate duplicates Z: 41 43.434 2.352 0.781 0.535 0.950 0.600 CB 1.667 41 residues pruned to eliminate duplicates Z: 21 14.070 2.044 0.666 0.347 0.800 0.600 CA 1.363 21 residues pruned to eliminate duplicates Z: 11 20.534 2.021 0.841 0.658 0.900 0.800 C 1.675 11 residues pruned to eliminate duplicates Z: 37 43.521 2.493 1.039 0.393 0.889 0.500 CB 1.797 37 residues pruned to eliminate duplicates Z: 15 30.363 2.187 0.778 0.837 0.929 0.857 CB 1.681 15 residues pruned to eliminate duplicates Z: 6 7.364 1.789 0.120 0.668 1.000 0.600 C 1.408 6 residues pruned to eliminate duplicates Z: 13 29.701 2.343 0.609 0.917 1.000 0.833 CB 1.606 13 residues pruned to eliminate duplicates Z: 17 18.240 2.236 0.678 0.402 0.812 0.625 CB 1.658 17 residues pruned to eliminate duplicates Z: 17 16.178 2.034 0.677 0.506 0.750 0.562 CA 1.571 17 residues pruned to eliminate duplicates Z: 8 7.758 1.837 0.235 0.570 0.857 0.571 CA 1.409 8 residues pruned to eliminate duplicates Z: 19 19.939 2.220 0.887 0.470 0.778 0.667 CB 1.487 19 residues pruned to eliminate duplicates Z: 11 18.118 2.283 1.331 0.417 0.800 0.600 CB 1.468 11 residues pruned to eliminate duplicates Z: 66 47.264 2.249 0.963 0.417 0.908 0.677 CB 1.596 66 residues pruned to eliminate duplicates Z: 11 15.057 1.880 0.562 0.773 0.900 0.600 CA 1.414 11 residues pruned to eliminate duplicates Z: 16 41.140 2.389 0.911 0.888 0.933 0.800 CB 1.796 16 residues pruned to eliminate duplicates Z: 6 5.818 1.966 0.119 0.754 0.800 0.600 CA 1.178 6 residues pruned to eliminate duplicates Z: 24 35.469 2.426 1.036 0.503 0.870 0.522 CB 1.716 24 residues pruned to eliminate duplicates Z: 11 7.669 1.940 -0.034 0.499 0.900 0.800 CA 1.439 8 residues pruned to eliminate duplicates Z: 14 14.179 2.122 0.413 0.437 0.846 0.692 CA 1.654 14 residues pruned to eliminate duplicates Z: 18 23.075 2.214 0.966 0.413 0.824 0.588 CB 1.710 18 residues pruned to eliminate duplicates Z: 10 21.392 1.919 0.738 0.784 1.000 0.889 CB 1.665 10 residues pruned to eliminate duplicates Z: 8 8.839 1.818 0.353 0.555 0.857 0.714 CB 1.503 5 residues pruned to eliminate duplicates Z: 73 45.322 2.292 0.913 0.391 0.889 0.569 CB 1.538 73 residues pruned to eliminate duplicates Z: 12 21.102 2.230 0.654 0.663 1.000 0.455 CB 1.483 12 residues pruned to eliminate duplicates Z: 9 13.828 1.984 0.921 0.630 0.750 0.750 CB 1.515 9 residues pruned to eliminate duplicates Z: 10 19.013 1.961 0.759 0.832 0.889 0.778 CA 1.552 10 residues pruned to eliminate duplicates Z: 12 19.911 1.875 0.501 0.909 1.000 0.909 CB 1.514 12 residues pruned to eliminate duplicates Z: 17 17.199 2.035 0.307 0.709 0.875 0.750 CB 1.527 17 residues pruned to eliminate duplicates Z: 11 10.034 1.858 1.032 0.328 0.800 0.600 CB 1.269 Z: 16 23.420 2.354 0.904 0.503 0.800 0.667 CA 1.681 16 residues pruned to eliminate duplicates Z: 34 19.670 2.161 0.848 0.318 0.727 0.515 CB 1.441 34 residues pruned to eliminate duplicates Z: 62 51.617 2.267 1.092 0.524 0.869 0.689 CB 1.567 62 residues pruned to eliminate duplicates Z: 12 16.979 1.855 0.487 0.866 0.909 0.636 CB 1.495 12 residues pruned to eliminate duplicates Z: 70 39.587 2.183 0.816 0.411 0.841 0.493 CB 1.569 70 residues pruned to eliminate duplicates Z: 10 17.503 2.066 0.191 0.931 1.000 0.889 CA 1.657 10 residues pruned to eliminate duplicates Z: 63 44.823 2.230 0.863 0.435 0.903 0.645 CB 1.622 63 residues pruned to eliminate duplicates Z: 6 3.458 1.351 0.331 0.622 0.800 0.400 CA 0.958 6 residues pruned to eliminate duplicates Z: 14 23.553 2.305 1.135 0.407 0.846 0.615 CA 1.730 14 residues pruned to eliminate duplicates Z: 29 23.985 2.123 0.859 0.420 0.786 0.643 CB 1.588 29 residues pruned to eliminate duplicates Z: 20 28.096 2.338 0.467 0.697 0.947 0.842 CB 1.658 20 residues pruned to eliminate duplicates Z: 15 28.419 2.100 0.727 0.897 1.000 0.786 CB 1.499 15 residues pruned to eliminate duplicates Z: 12 15.138 1.902 0.344 0.898 0.909 0.818 CB 1.405 12 residues pruned to eliminate duplicates Z: 36 46.665 2.383 0.826 0.541 0.943 0.514 CB 1.847 36 residues pruned to eliminate duplicates Z: 11 16.730 1.939 0.406 0.898 1.000 0.900 CA 1.387 11 residues pruned to eliminate duplicates Z: 13 16.617 1.668 0.676 0.868 1.000 0.833 CB 1.255 13 residues pruned to eliminate duplicates Z: 90 53.543 2.280 0.953 0.433 0.854 0.584 CB 1.600 90 residues pruned to eliminate duplicates Z: 14 30.053 2.120 0.889 0.908 1.000 0.692 CB 1.478 14 residues pruned to eliminate duplicates Z: 25 18.157 2.036 0.928 0.428 0.833 0.625 CB 1.221 25 residues pruned to eliminate duplicates Z: 73 57.804 2.399 0.814 0.501 0.889 0.625 CB 1.759 73 residues pruned to eliminate duplicates Z: 71 65.659 2.395 1.104 0.482 0.929 0.700 CB 1.709 71 residues pruned to eliminate duplicates Z: 16 12.235 1.882 0.586 0.463 0.800 0.533 CB 1.374 16 residues pruned to eliminate duplicates Z: 73 43.086 2.249 0.814 0.389 0.875 0.639 CB 1.599 73 residues pruned to eliminate duplicates Z: 70 44.056 2.274 0.886 0.406 0.884 0.623 CB 1.544 70 residues pruned to eliminate duplicates Z: 21 14.744 2.240 0.757 0.262 0.650 0.450 CB 1.693 21 residues pruned to eliminate duplicates Z: 14 39.215 2.203 0.924 0.904 1.000 0.846 CA 1.828 14 residues pruned to eliminate duplicates Z: 48 40.826 2.347 0.829 0.421 0.894 0.638 CB 1.685 48 residues pruned to eliminate duplicates Z: 12 20.895 1.880 0.602 0.922 1.000 0.818 CB 1.471 12 residues pruned to eliminate duplicates Z: 17 48.187 2.515 1.026 0.766 0.938 0.688 CA 1.992 17 residues pruned to eliminate duplicates Z: 70 56.632 2.409 0.807 0.465 0.913 0.667 CB 1.778 70 residues pruned to eliminate duplicates Z: 14 22.457 2.183 0.311 0.918 1.000 0.846 CB 1.535 14 residues pruned to eliminate duplicates Z: 12 11.988 2.185 0.524 0.298 0.818 0.545 CA 1.663 12 residues pruned to eliminate duplicates Z: 7 2.972 1.520 0.422 0.261 0.667 0.333 CB 1.107 7 residues pruned to eliminate duplicates Z: 18 14.746 2.337 0.841 0.344 0.765 0.529 CB 1.288 18 residues pruned to eliminate duplicates Z: 32 41.286 2.458 0.963 0.492 0.903 0.710 CB 1.716 32 residues pruned to eliminate duplicates Z: 9 6.867 1.878 0.482 0.564 0.750 0.625 CB 1.093 9 residues pruned to eliminate duplicates Z: 10 23.265 2.094 0.773 0.810 1.000 0.667 CB 1.594 10 residues pruned to eliminate duplicates Z: 43 49.880 2.413 0.986 0.526 0.881 0.595 CB 1.777 43 residues pruned to eliminate duplicates Z: 14 49.313 2.468 1.081 0.945 1.000 0.462 CB 1.844 14 residues pruned to eliminate duplicates Z: 13 23.968 2.354 1.046 0.397 0.917 0.750 CA 1.746 13 residues pruned to eliminate duplicates Z: 40 39.890 2.313 0.830 0.560 0.872 0.615 CB 1.633 40 residues pruned to eliminate duplicates Z: 10 19.604 2.170 1.191 0.555 1.000 0.667 CB 1.303 10 residues pruned to eliminate duplicates Z: 12 18.435 1.895 0.568 0.887 1.000 0.818 CA 1.349 12 residues pruned to eliminate duplicates Z: 13 8.874 1.890 0.494 0.454 0.750 0.500 CB 1.268 13 residues pruned to eliminate duplicates Z: 7 16.094 2.267 1.210 0.703 0.833 0.833 CB 1.308 7 residues pruned to eliminate duplicates Z: 7 7.220 1.819 0.653 0.582 0.833 0.500 CB 1.087 7 residues pruned to eliminate duplicates Z: 16 19.172 2.138 0.192 0.728 0.933 0.667 CB 1.695 16 residues pruned to eliminate duplicates Z: 55 46.306 2.353 0.704 0.550 0.852 0.704 CB 1.758 55 residues pruned to eliminate duplicates Z: 23 40.776 2.375 1.174 0.582 0.818 0.727 CB 1.902 23 residues pruned to eliminate duplicates Z: 14 32.908 2.208 0.840 0.882 1.000 0.692 CB 1.626 14 residues pruned to eliminate duplicates Z: 28 38.425 2.399 0.754 0.609 0.963 0.778 CB 1.647 28 residues pruned to eliminate duplicates Z: 15 37.435 2.148 0.981 0.907 1.000 0.714 CB 1.671 14 residues pruned to eliminate duplicates Z: 12 14.916 2.004 1.550 0.369 0.636 0.364 CB 1.591 12 residues pruned to eliminate duplicates Z: 86 62.125 2.400 1.008 0.442 0.859 0.635 CB 1.727 86 residues pruned to eliminate duplicates Z: 57 55.670 2.414 0.721 0.568 0.929 0.661 CB 1.805 57 residues pruned to eliminate duplicates Z: 6 6.846 2.058 0.501 0.341 0.800 0.600 CA 1.474 6 residues pruned to eliminate duplicates Z: 16 25.912 2.325 0.488 0.718 0.933 0.733 CB 1.701 16 residues pruned to eliminate duplicates Z: 6 6.852 2.038 0.418 0.536 1.000 0.600 CB 1.024 6 residues pruned to eliminate duplicates Z: 29 41.744 2.398 0.823 0.640 0.893 0.679 CB 1.772 29 residues pruned to eliminate duplicates Z: 53 45.928 2.422 0.770 0.487 0.904 0.577 CB 1.666 53 residues pruned to eliminate duplicates Z: 15 29.559 2.100 0.773 0.908 1.000 0.929 CB 1.507 15 residues pruned to eliminate duplicates Z: 6 13.374 2.261 0.683 0.625 0.800 0.800 C 1.747 6 residues pruned to eliminate duplicates Z: 6 7.300 2.038 0.488 0.468 0.800 0.600 CB 1.391 6 residues pruned to eliminate duplicates Z: 16 36.358 2.432 1.386 0.612 0.933 0.867 CB 1.559 16 residues pruned to eliminate duplicates Z: 13 31.419 2.254 0.760 0.928 1.000 0.917 CB 1.602 13 residues pruned to eliminate duplicates Z: 96 69.697 2.373 1.070 0.460 0.905 0.632 CB 1.674 96 residues pruned to eliminate duplicates Z: 15 48.771 2.444 1.184 0.925 0.929 0.786 CB 1.846 15 residues pruned to eliminate duplicates Z: 82 53.124 2.280 0.931 0.450 0.877 0.617 CB 1.610 82 residues pruned to eliminate duplicates Z: 11 9.496 2.159 0.452 0.485 0.900 0.700 CB 1.081 11 residues pruned to eliminate duplicates Z: 35 55.386 2.446 0.890 0.580 1.000 0.559 CB 1.902 35 residues pruned to eliminate duplicates Z: 88 46.616 2.233 0.694 0.453 0.885 0.621 CB 1.566 88 residues pruned to eliminate duplicates Z: 17 26.479 2.180 0.405 0.876 0.875 0.750 CB 1.795 17 residues pruned to eliminate duplicates Z: 74 53.321 2.289 1.022 0.384 0.904 0.548 CB 1.687 74 residues pruned to eliminate duplicates Z: 11 14.961 2.090 0.820 0.541 0.900 0.500 CB 1.327 11 residues pruned to eliminate duplicates Z: 6 4.860 1.831 0.926 0.607 0.800 0.600 CB 0.696 Z: 20 13.470 2.052 0.800 0.291 0.737 0.368 CB 1.435 20 residues pruned to eliminate duplicates Z: 10 21.016 2.148 0.641 0.808 0.889 0.778 CB 1.709 10 residues pruned to eliminate duplicates Z: 13 25.637 2.307 1.369 0.364 0.917 0.667 CB 1.710 13 residues pruned to eliminate duplicates Z: 74 42.559 2.290 0.936 0.374 0.822 0.589 CB 1.564 74 residues pruned to eliminate duplicates Z: 18 33.592 2.335 0.927 0.462 0.941 0.471 CA 2.000 18 residues pruned to eliminate duplicates Z: 82 48.732 2.248 0.947 0.400 0.889 0.543 CB 1.546 82 residues pruned to eliminate duplicates Z: 37 40.873 2.342 0.833 0.486 0.917 0.556 CB 1.756 37 residues pruned to eliminate duplicates Z: 13 31.401 2.215 0.767 0.948 1.000 0.917 CB 1.600 13 residues pruned to eliminate duplicates Z: 78 67.003 2.459 0.831 0.526 0.935 0.701 CB 1.768 84 residues pruned to eliminate duplicates Z: 33 22.709 2.255 0.743 0.312 0.812 0.531 CB 1.549 33 residues pruned to eliminate duplicates Z: 55 59.649 2.484 0.743 0.601 0.963 0.704 CB 1.769 55 residues pruned to eliminate duplicates Z: 19 29.599 2.307 1.016 0.483 0.889 0.778 CB 1.717 19 residues pruned to eliminate duplicates Z: 18 40.601 2.585 0.851 0.721 0.882 0.706 CB 1.911 18 residues pruned to eliminate duplicates Z: 17 18.488 2.245 0.677 0.421 0.875 0.438 CB 1.523 17 residues pruned to eliminate duplicates Z: 15 24.118 2.374 0.878 0.376 0.929 0.643 CB 1.776 15 residues pruned to eliminate duplicates Z: 27 34.328 2.376 1.052 0.443 0.846 0.731 CB 1.731 31 residues pruned to eliminate duplicates Z: 28 38.209 2.389 0.727 0.645 0.963 0.778 CB 1.616 28 residues pruned to eliminate duplicates Z: 13 34.793 2.082 1.241 0.881 0.917 0.750 CA 1.701 13 residues pruned to eliminate duplicates Z: 10 20.533 2.107 0.546 0.901 1.000 1.000 CA 1.500 10 residues pruned to eliminate duplicates Z: 11 17.707 1.986 0.408 0.907 1.000 0.700 CB 1.422 11 residues pruned to eliminate duplicates Z: 30 25.691 2.224 0.915 0.350 0.828 0.483 CB 1.593 30 residues pruned to eliminate duplicates Z: 74 43.878 2.285 0.923 0.379 0.836 0.575 CB 1.592 74 residues pruned to eliminate duplicates Z: 80 61.890 2.408 0.765 0.514 0.911 0.633 CB 1.774 80 residues pruned to eliminate duplicates Z: 14 39.852 2.257 1.037 0.891 1.000 0.923 CB 1.728 14 residues pruned to eliminate duplicates Z: 84 54.709 2.260 1.004 0.435 0.904 0.627 CB 1.569 73 residues pruned to eliminate duplicates Z: 8 10.522 2.058 0.982 0.576 0.714 0.571 CB 1.269 Z: 12 18.740 1.813 0.732 0.898 0.909 0.909 CB 1.416 12 residues pruned to eliminate duplicates Z: 85 56.784 2.341 0.917 0.471 0.881 0.655 CB 1.614 85 residues pruned to eliminate duplicates Z: 6 8.159 2.006 0.227 0.747 1.000 0.600 CA 1.189 6 residues pruned to eliminate duplicates Z: 6 7.652 1.981 0.387 0.810 1.000 1.000 CB 0.951 Z: 9 14.544 1.983 0.456 0.659 1.000 0.375 CA 1.536 9 residues pruned to eliminate duplicates Z: 6 7.087 1.860 0.270 0.595 1.000 0.800 CB 1.225 7 residues pruned to eliminate duplicates Z: 13 9.554 1.813 0.681 0.419 0.667 0.583 CB 1.476 13 residues pruned to eliminate duplicates Z: 14 22.846 2.178 1.080 0.337 0.923 0.769 CA 1.811 14 residues pruned to eliminate duplicates Z: 16 45.453 2.335 1.026 0.940 0.933 0.800 CB 1.845 16 residues pruned to eliminate duplicates Z: 8 14.578 2.024 1.036 0.686 0.857 0.857 CB 1.315 8 residues pruned to eliminate duplicates Z: 6 3.902 1.458 0.458 0.293 1.000 0.800 CA 1.036 6 residues pruned to eliminate duplicates Z: 10 13.280 2.241 0.606 0.467 0.778 0.556 CB 1.635 10 residues pruned to eliminate duplicates Z: 63 46.226 2.341 0.923 0.406 0.855 0.581 CB 1.684 63 residues pruned to eliminate duplicates Z: 68 50.990 2.341 0.871 0.450 0.851 0.418 CB 1.760 68 residues pruned to eliminate duplicates Z: 9 10.933 2.036 0.818 0.616 0.875 0.875 CB 1.069 9 residues pruned to eliminate duplicates Z: 44 42.605 2.350 0.934 0.447 0.884 0.512 CB 1.708 44 residues pruned to eliminate duplicates Z: 13 17.346 1.779 0.468 0.851 1.000 0.750 CB 1.420 13 residues pruned to eliminate duplicates Z: 21 18.731 2.105 0.586 0.493 0.950 0.650 CB 1.330 21 residues pruned to eliminate duplicates Z: 84 60.694 2.373 0.963 0.457 0.892 0.627 CB 1.676 84 residues pruned to eliminate duplicates Z: 6 4.526 1.847 0.929 0.499 0.600 0.400 CB 0.948 Z: 10 26.739 2.139 0.915 0.739 1.000 0.889 C 1.757 10 residues pruned to eliminate duplicates Z: 21 17.894 2.108 0.954 0.366 0.750 0.550 CB 1.496 21 residues pruned to eliminate duplicates Z: 9 6.796 1.863 0.306 0.493 0.875 0.750 CB 1.136 9 residues pruned to eliminate duplicates Z: 16 21.959 2.466 0.630 0.474 0.800 0.733 CB 1.809 16 residues pruned to eliminate duplicates Z: 9 7.491 1.954 0.478 0.283 0.875 0.375 CB 1.338 9 residues pruned to eliminate duplicates Z: 27 27.808 2.193 0.794 0.440 0.923 0.769 CB 1.597 27 residues pruned to eliminate duplicates Z: 94 66.059 2.387 0.964 0.457 0.882 0.581 CB 1.731 94 residues pruned to eliminate duplicates Z: 44 38.179 2.324 0.665 0.469 0.884 0.535 CB 1.757 44 residues pruned to eliminate duplicates Z: 15 29.301 2.161 0.569 0.901 1.000 1.000 CB 1.649 21 residues pruned to eliminate duplicates Z: 24 27.353 2.230 0.557 0.562 0.913 0.565 CB 1.695 24 residues pruned to eliminate duplicates Z: 8 12.554 1.964 0.970 0.565 1.000 0.714 CB 1.151 8 residues pruned to eliminate duplicates Z: 37 31.165 2.192 0.572 0.571 0.861 0.583 CB 1.635 37 residues pruned to eliminate duplicates Z: 70 61.800 2.403 1.042 0.465 0.899 0.638 CB 1.749 70 residues pruned to eliminate duplicates Z: 31 22.316 2.156 0.874 0.349 0.867 0.567 CB 1.371 31 residues pruned to eliminate duplicates Z: 14 35.067 2.190 0.972 0.906 1.000 0.769 CB 1.602 15 residues pruned to eliminate duplicates Z: 14 23.297 2.268 1.247 0.342 1.000 0.692 CB 1.506 14 residues pruned to eliminate duplicates Z: 20 32.008 2.410 1.189 0.440 0.842 0.474 CB 1.760 20 residues pruned to eliminate duplicates Z: 29 46.441 2.434 0.780 0.551 1.000 0.786 CB 1.926 29 residues pruned to eliminate duplicates Z: 56 42.229 2.336 1.003 0.382 0.818 0.473 CB 1.687 56 residues pruned to eliminate duplicates Z: 16 27.248 2.294 0.337 0.800 1.000 0.800 CB 1.764 16 residues pruned to eliminate duplicates Z: 62 43.695 2.252 0.880 0.446 0.869 0.607 CB 1.608 62 residues pruned to eliminate duplicates Z: 29 26.938 2.228 1.001 0.406 0.786 0.571 CB 1.603 29 residues pruned to eliminate duplicates Z: 11 21.707 1.981 0.733 0.920 1.000 0.600 CB 1.408 11 residues pruned to eliminate duplicates Z: 60 58.979 2.467 0.821 0.568 0.898 0.627 CB 1.781 60 residues pruned to eliminate duplicates Z: 43 37.426 2.372 0.785 0.432 0.881 0.524 CB 1.662 43 residues pruned to eliminate duplicates Z: 18 23.126 2.197 0.857 0.535 0.882 0.824 CB 1.506 18 residues pruned to eliminate duplicates Z: 23 22.646 2.108 0.717 0.479 0.864 0.682 CA 1.577 23 residues pruned to eliminate duplicates Z: 11 5.792 1.682 0.684 0.261 1.000 0.400 CB 0.849 11 residues pruned to eliminate duplicates Z: 12 7.523 1.650 0.391 0.366 0.818 0.364 CB 1.395 11 residues pruned to eliminate duplicates Z: 55 40.310 2.249 0.962 0.383 0.907 0.630 CB 1.552 55 residues pruned to eliminate duplicates 7 1.757 1.438 0.051 0.355 0.833 0.500 CB 0.666 ? Z: 51 40.170 2.294 0.893 0.426 0.860 0.680 CB 1.643 51 residues pruned to eliminate duplicates Z: 12 16.377 1.880 0.239 0.918 1.000 1.000 CB 1.496 12 residues pruned to eliminate duplicates Z: 7 4.481 2.018 0.373 0.387 0.833 0.333 CB 0.893 7 residues pruned to eliminate duplicates Z: 18 24.045 2.087 0.457 0.760 0.941 0.706 CB 1.617 18 residues pruned to eliminate duplicates Z: 9 18.368 2.059 0.342 0.897 1.000 1.000 CB 1.683 9 residues pruned to eliminate duplicates Z: 64 51.955 2.287 0.979 0.439 0.905 0.635 CB 1.702 64 residues pruned to eliminate duplicates Z: 11 15.340 2.110 0.739 0.528 1.000 0.500 CB 1.286 11 residues pruned to eliminate duplicates Z: 11 17.647 2.274 1.070 0.421 0.800 0.600 CB 1.610 11 residues pruned to eliminate duplicates Z: 23 15.965 2.001 0.430 0.424 0.864 0.636 CB 1.490 23 residues pruned to eliminate duplicates Z: 30 26.415 2.153 0.896 0.358 0.897 0.621 CB 1.561 30 residues pruned to eliminate duplicates Z: 47 52.985 2.390 0.877 0.514 0.957 0.609 CB 1.795 47 residues pruned to eliminate duplicates Z: 30 35.297 2.381 1.001 0.393 0.897 0.448 CB 1.719 30 residues pruned to eliminate duplicates Z: 29 51.155 2.458 1.210 0.522 0.929 0.643 CB 1.875 29 residues pruned to eliminate duplicates Z: 10 27.197 2.176 0.853 0.828 1.000 0.556 CB 1.694 10 residues pruned to eliminate duplicates Z: 16 16.453 2.297 0.753 0.373 0.733 0.667 CB 1.649 16 residues pruned to eliminate duplicates Z: 17 32.552 2.494 1.100 0.478 0.812 0.562 CB 1.956 17 residues pruned to eliminate duplicates Z: 19 22.747 2.192 0.876 0.550 0.833 0.611 CB 1.491 19 residues pruned to eliminate duplicates Z: 34 53.432 2.408 1.175 0.603 0.879 0.697 CB 1.832 34 residues pruned to eliminate duplicates Z: 6 4.861 1.552 0.513 0.509 0.800 0.400 N 1.147 Z: 50 40.149 2.312 0.673 0.492 0.878 0.592 CB 1.703 50 residues pruned to eliminate duplicates Z: 18 9.312 2.079 0.469 0.373 0.706 0.471 CB 1.199 18 residues pruned to eliminate duplicates Z: 11 47.662 2.551 1.255 0.803 1.000 0.900 CA 2.010 11 residues pruned to eliminate duplicates Z: 16 17.221 2.081 0.839 0.349 0.800 0.600 CB 1.710 16 residues pruned to eliminate duplicates Z: 11 22.436 2.216 0.930 0.627 0.900 0.600 CB 1.636 11 residues pruned to eliminate duplicates Z: 13 34.226 2.396 0.687 0.912 1.000 0.917 CB 1.730 13 residues pruned to eliminate duplicates Z: 9 10.498 1.712 0.451 0.587 1.000 0.625 CB 1.375 9 residues pruned to eliminate duplicates Z: 10 25.713 2.041 0.824 0.932 1.000 0.778 CB 1.607 10 residues pruned to eliminate duplicates Z: 7 4.295 1.660 0.189 0.585 0.667 0.000 CA 1.229 7 residues pruned to eliminate duplicates Z: 17 19.360 2.062 1.162 0.352 0.875 0.562 CB 1.456 17 residues pruned to eliminate duplicates Z: 48 48.942 2.285 1.111 0.454 0.936 0.723 CB 1.657 48 residues pruned to eliminate duplicates Z: 14 32.288 2.191 0.748 0.948 1.000 1.000 CB 1.615 14 residues pruned to eliminate duplicates Z: 19 28.176 2.394 1.194 0.362 0.944 0.667 CB 1.553 19 residues pruned to eliminate duplicates Z: 21 26.513 2.057 0.820 0.676 0.950 0.700 CB 1.417 21 residues pruned to eliminate duplicates Z: 9 8.641 1.840 0.523 0.296 0.875 0.500 CB 1.566 9 residues pruned to eliminate duplicates Z: 15 21.658 2.190 0.846 0.532 0.857 0.643 CB 1.618 15 residues pruned to eliminate duplicates Z: 6 2.653 1.537 -0.364 0.682 0.800 0.800 N 1.284 Z: 61 42.725 2.207 0.798 0.479 0.917 0.667 CB 1.548 61 residues pruned to eliminate duplicates Z: 19 25.056 2.179 0.924 0.505 0.944 0.667 CB 1.484 30 residues pruned to eliminate duplicates Z: 15 18.354 2.139 0.734 0.472 0.857 0.500 CB 1.588 15 residues pruned to eliminate duplicates Z: 10 8.799 2.029 0.467 0.272 0.778 0.444 CA 1.640 11 residues pruned to eliminate duplicates Z: 55 35.429 2.246 0.872 0.372 0.852 0.574 CB 1.543 55 residues pruned to eliminate duplicates Z: 20 32.192 2.416 0.885 0.547 0.895 0.684 CB 1.732 20 residues pruned to eliminate duplicates Z: 15 21.837 2.399 0.624 0.454 1.000 0.357 CB 1.570 15 residues pruned to eliminate duplicates Z: 48 46.106 2.403 0.960 0.469 0.872 0.511 CB 1.689 48 residues pruned to eliminate duplicates Z: 12 33.197 2.251 1.025 0.890 1.000 0.818 CB 1.580 12 residues pruned to eliminate duplicates Z: 14 27.459 2.379 1.198 0.506 0.846 0.769 CB 1.711 22 residues pruned to eliminate duplicates Z: 21 29.077 2.320 0.507 0.619 1.000 0.800 CB 1.662 21 residues pruned to eliminate duplicates Z: 6 4.747 1.626 0.620 0.504 0.800 0.400 N 1.004 Z: 18 17.424 2.052 0.976 0.555 0.882 0.882 CB 1.119 18 residues pruned to eliminate duplicates Z: 8 8.503 2.071 0.485 0.305 0.857 0.714 CB 1.514 8 residues pruned to eliminate duplicates Z: 68 44.939 2.295 0.873 0.418 0.881 0.567 CB 1.580 68 residues pruned to eliminate duplicates Z: 8 13.935 2.178 0.525 0.700 0.857 0.286 CB 1.541 8 residues pruned to eliminate duplicates Z: 8 7.482 1.630 0.323 0.717 0.857 0.714 C 1.257 8 residues pruned to eliminate duplicates Z: 39 39.247 2.301 0.982 0.469 0.921 0.632 CB 1.564 39 residues pruned to eliminate duplicates Z: 6 2.967 1.550 0.170 0.340 0.800 0.400 CB 1.088 Z: 7 9.671 1.895 0.416 0.671 0.833 0.667 C 1.508 7 residues pruned to eliminate duplicates Z: 12 17.171 2.064 1.023 0.394 0.909 0.727 CA 1.525 12 residues pruned to eliminate duplicates Z: 89 43.118 2.238 0.635 0.389 0.898 0.557 CB 1.573 89 residues pruned to eliminate duplicates Z: 22 26.616 2.334 0.897 0.403 0.857 0.714 CB 1.695 22 residues pruned to eliminate duplicates Z: 15 18.405 2.148 0.761 0.487 0.857 0.786 CA 1.538 15 residues pruned to eliminate duplicates Z: 62 53.950 2.361 0.798 0.563 0.902 0.607 CB 1.697 62 residues pruned to eliminate duplicates Z: 19 13.642 2.066 0.677 0.286 0.722 0.389 CB 1.634 19 residues pruned to eliminate duplicates Z: 13 43.817 2.220 1.293 0.908 1.000 0.583 CA 1.765 13 residues pruned to eliminate duplicates Z: 13 5.272 1.913 0.605 0.192 0.667 0.500 CB 1.074 13 residues pruned to eliminate duplicates Z: 8 6.863 1.950 0.668 0.448 0.857 0.571 CB 0.982 Z: 10 31.239 2.624 0.805 0.606 1.000 0.778 CA 1.989 10 residues pruned to eliminate duplicates Z: 48 51.615 2.372 0.917 0.515 0.936 0.574 CB 1.742 48 residues pruned to eliminate duplicates Z: 8 12.465 1.999 0.299 0.827 1.000 0.857 CA 1.367 8 residues pruned to eliminate duplicates Z: 35 35.629 2.443 0.876 0.398 0.853 0.353 CB 1.740 35 residues pruned to eliminate duplicates Z: 18 41.031 2.360 1.084 0.667 0.941 0.824 C 1.841 18 residues pruned to eliminate duplicates Z: 6 3.545 1.280 0.775 0.547 0.800 0.400 CB 0.833 Z: 13 21.520 2.170 0.438 0.621 1.000 0.750 CA 1.776 13 residues pruned to eliminate duplicates Z: 6 10.743 1.948 0.428 0.811 1.000 1.000 CB 1.318 6 residues pruned to eliminate duplicates Z: 17 18.762 2.148 0.928 0.373 0.875 0.625 CB 1.483 17 residues pruned to eliminate duplicates Z: 30 33.831 2.290 0.806 0.508 0.897 0.724 CB 1.681 30 residues pruned to eliminate duplicates 6 1.113 1.238 1.006 0.576 0.800 0.400 CA 0.233 ? Z: 9 22.211 2.224 0.487 0.746 1.000 0.875 CA 1.905 9 residues pruned to eliminate duplicates Z: 6 16.843 2.199 0.919 0.806 1.000 1.000 CA 1.367 Z: 25 44.787 2.382 0.914 0.655 1.000 0.583 CB 1.736 25 residues pruned to eliminate duplicates Z: 7 3.558 1.594 0.045 0.676 0.833 0.333 C 0.890 7 residues pruned to eliminate duplicates Z: 9 21.762 2.067 0.662 0.885 1.000 0.875 C 1.617 9 residues pruned to eliminate duplicates 6 1.357 1.615 -0.230 0.245 0.600 0.600 CB 1.092 ? Z: 8 2.965 1.659 0.161 0.357 0.571 0.286 CA 1.188 Z: 27 41.347 2.396 1.143 0.575 0.923 0.538 CB 1.592 27 residues pruned to eliminate duplicates Z: 13 32.801 2.171 0.748 0.891 1.000 0.917 CA 1.793 13 residues pruned to eliminate duplicates Z: 48 42.583 2.314 0.913 0.426 0.915 0.638 CB 1.656 48 residues pruned to eliminate duplicates Z: 27 32.890 2.214 0.840 0.607 0.885 0.538 CB 1.616 27 residues pruned to eliminate duplicates Z: 7 2.420 1.357 0.358 0.272 0.667 0.333 CA 1.042 Z: 87 67.424 2.355 1.124 0.459 0.884 0.640 CB 1.716 87 residues pruned to eliminate duplicates Z: 36 34.979 2.346 0.838 0.447 0.857 0.543 CB 1.690 36 residues pruned to eliminate duplicates Z: 42 47.857 2.472 0.654 0.570 0.976 0.707 CB 1.750 42 residues pruned to eliminate duplicates Z: 34 37.158 2.394 0.997 0.416 0.848 0.515 CB 1.741 34 residues pruned to eliminate duplicates Z: 14 7.061 1.840 0.650 0.250 0.769 0.538 CB 1.118 14 residues pruned to eliminate duplicates Z: 56 50.343 2.389 0.824 0.453 0.945 0.636 CB 1.730 56 residues pruned to eliminate duplicates Z: 11 8.574 1.699 0.248 0.466 1.000 0.700 CA 1.324 11 residues pruned to eliminate duplicates Z: 13 16.006 2.296 0.591 0.421 0.750 0.583 CA 1.832 19 residues pruned to eliminate duplicates Z: 43 43.582 2.305 0.919 0.491 0.929 0.714 CB 1.653 43 residues pruned to eliminate duplicates Z: 71 50.777 2.250 0.763 0.485 0.929 0.686 CB 1.673 71 residues pruned to eliminate duplicates Z: 69 52.237 2.425 0.937 0.444 0.882 0.559 CB 1.619 69 residues pruned to eliminate duplicates Z: 9 21.532 2.129 0.844 0.834 0.875 0.500 CA 1.661 9 residues pruned to eliminate duplicates Z: 20 29.553 2.364 0.765 0.533 1.000 0.579 CB 1.572 20 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 7 3.564 1.416 1.160 0.380 0.833 0.667 N 0.648 7 residues pruned to eliminate duplicates Z: 82 60.648 2.388 0.975 0.466 0.852 0.642 CB 1.736 82 residues pruned to eliminate duplicates Z: 20 18.408 2.140 0.827 0.406 0.737 0.474 CA 1.617 20 residues pruned to eliminate duplicates Z: 16 20.808 2.359 0.721 0.438 0.800 0.667 CA 1.765 16 residues pruned to eliminate duplicates Z: 18 19.162 2.316 0.684 0.424 0.765 0.588 CB 1.687 18 residues pruned to eliminate duplicates Z: 16 22.337 2.408 0.707 0.473 0.800 0.667 CA 1.802 16 residues pruned to eliminate duplicates Z: 17 26.587 2.344 0.814 0.437 0.938 0.688 CA 1.778 18 residues pruned to eliminate duplicates Z: 8 11.326 2.112 0.519 0.450 1.000 0.857 CA 1.404 8 residues pruned to eliminate duplicates Z: 16 25.437 2.389 0.846 0.459 0.867 0.533 CA 1.792 16 residues pruned to eliminate duplicates Z: 26 26.965 2.256 0.883 0.388 0.840 0.600 CB 1.702 26 residues pruned to eliminate duplicates Z: 19 27.625 2.376 0.881 0.425 0.889 0.722 CB 1.772 19 residues pruned to eliminate duplicates Z: 45 59.667 2.551 1.043 0.495 0.886 0.682 CB 1.956 45 residues pruned to eliminate duplicates Z: 28 27.540 2.304 0.825 0.393 0.852 0.630 CB 1.658 28 residues pruned to eliminate duplicates Z: 11 20.842 2.411 1.040 0.550 0.800 0.800 CB 1.595 11 residues pruned to eliminate duplicates Z: 12 21.637 2.282 1.143 0.540 0.909 0.636 CB 1.411 12 residues pruned to eliminate duplicates Z: 40 57.549 2.436 1.400 0.542 0.872 0.692 CB 1.734 40 residues pruned to eliminate duplicates Z: 13 19.121 2.156 1.166 0.504 0.833 0.583 CB 1.412 13 residues pruned to eliminate duplicates Z: 86 61.318 2.350 0.974 0.452 0.894 0.588 CB 1.685 86 residues pruned to eliminate duplicates Z: 95 75.065 2.417 1.090 0.467 0.894 0.638 CB 1.773 95 residues pruned to eliminate duplicates Z: 9 22.835 2.573 0.675 0.607 1.000 0.750 CB 1.692 9 residues pruned to eliminate duplicates Z: 36 35.507 2.421 1.010 0.383 0.771 0.600 CB 1.810 36 residues pruned to eliminate duplicates Z: 20 35.627 2.366 1.232 0.465 0.895 0.737 CB 1.793 20 residues pruned to eliminate duplicates Z: 105 72.410 2.381 1.010 0.444 0.904 0.625 CB 1.739 105 residues pruned to eliminate duplicates Z: 33 58.673 2.510 1.292 0.582 0.875 0.719 CB 1.905 33 residues pruned to eliminate duplicates Z: 20 31.407 2.383 1.265 0.445 0.842 0.632 CB 1.677 20 residues pruned to eliminate duplicates Z: 33 34.168 2.406 0.996 0.383 0.812 0.531 CB 1.753 33 residues pruned to eliminate duplicates Z: 10 23.541 2.240 1.152 0.475 0.889 0.667 CB 1.878 10 residues pruned to eliminate duplicates Z: 96 69.114 2.407 0.953 0.467 0.895 0.663 CB 1.743 96 residues pruned to eliminate duplicates Z: 102 70.014 2.412 1.019 0.454 0.881 0.663 CB 1.701 102 residues pruned to eliminate duplicates Z: 74 64.439 2.416 1.034 0.465 0.904 0.616 CB 1.760 74 residues pruned to eliminate duplicates Z: 23 29.869 2.231 1.040 0.546 0.818 0.591 CB 1.635 23 residues pruned to eliminate duplicates Z: 105 65.054 2.361 0.942 0.459 0.875 0.615 CB 1.659 105 residues pruned to eliminate duplicates Z: 43 50.813 2.433 0.879 0.529 0.929 0.595 CB 1.794 43 residues pruned to eliminate duplicates Z: 96 78.331 2.413 1.086 0.477 0.916 0.632 CB 1.785 96 residues pruned to eliminate duplicates Z: 24 40.108 2.398 0.987 0.560 0.870 0.696 CB 1.905 24 residues pruned to eliminate duplicates Z: 22 57.613 2.636 1.437 0.607 0.905 0.619 CB 1.954 22 residues pruned to eliminate duplicates Z: 18 51.928 2.557 1.399 0.725 0.882 0.706 CB 1.900 18 residues pruned to eliminate duplicates Z: 70 61.322 2.407 0.965 0.459 0.913 0.623 CB 1.783 70 residues pruned to eliminate duplicates Z: 82 64.121 2.394 1.032 0.453 0.889 0.654 CB 1.729 82 residues pruned to eliminate duplicates Z: 21 44.781 2.422 1.430 0.627 0.850 0.650 CB 1.776 21 residues pruned to eliminate duplicates Z: 88 60.741 2.363 0.980 0.429 0.874 0.598 CB 1.714 88 residues pruned to eliminate duplicates Z: 83 71.085 2.437 1.076 0.471 0.915 0.659 CB 1.747 83 residues pruned to eliminate duplicates Z: 82 74.311 2.431 1.170 0.525 0.877 0.691 CB 1.742 82 residues pruned to eliminate duplicates Z: 71 42.591 2.246 0.863 0.379 0.900 0.571 CB 1.538 71 residues pruned to eliminate duplicates Z: 52 38.030 2.206 0.773 0.436 0.922 0.627 CB 1.579 52 residues pruned to eliminate duplicates Z: 88 63.465 2.402 0.942 0.457 0.885 0.667 CB 1.722 88 residues pruned to eliminate duplicates Z: 61 56.671 2.356 1.086 0.482 0.900 0.617 CB 1.685 61 residues pruned to eliminate duplicates Z: 16 30.305 2.382 1.321 0.346 0.867 0.600 CB 1.929 16 residues pruned to eliminate duplicates Z: 89 62.158 2.381 1.014 0.437 0.875 0.705 CB 1.686 89 residues pruned to eliminate duplicates Z: 73 47.025 2.320 0.929 0.370 0.875 0.542 CB 1.628 73 residues pruned to eliminate duplicates Z: 69 63.223 2.404 1.033 0.472 0.926 0.618 CB 1.743 69 residues pruned to eliminate duplicates Z: 72 46.672 2.289 0.858 0.393 0.901 0.620 CB 1.617 72 residues pruned to eliminate duplicates Z: 104 56.152 2.329 0.789 0.422 0.903 0.583 CB 1.595 104 residues pruned to eliminate duplicates Z: 62 65.233 2.416 1.083 0.523 0.951 0.639 CB 1.706 62 residues pruned to eliminate duplicates Z: 84 62.382 2.388 1.020 0.453 0.880 0.627 CB 1.694 84 residues pruned to eliminate duplicates Z: 47 40.352 2.274 0.911 0.404 0.891 0.587 CB 1.699 47 residues pruned to eliminate duplicates Z: 62 65.474 2.428 1.050 0.521 0.934 0.705 CB 1.764 62 residues pruned to eliminate duplicates Z: 54 42.538 2.341 0.921 0.380 0.906 0.566 CB 1.630 54 residues pruned to eliminate duplicates Z: 60 45.176 2.271 0.920 0.438 0.864 0.610 CB 1.665 60 residues pruned to eliminate duplicates Z: 68 59.122 2.422 0.963 0.463 0.896 0.582 CB 1.761 68 residues pruned to eliminate duplicates Z: 33 43.281 2.395 0.928 0.521 0.938 0.594 CB 1.731 33 residues pruned to eliminate duplicates Z: 54 44.734 2.356 0.878 0.388 0.925 0.623 CB 1.691 54 residues pruned to eliminate duplicates Z: 51 41.369 2.318 0.976 0.435 0.860 0.660 CB 1.588 51 residues pruned to eliminate duplicates Z: 73 41.914 2.278 0.846 0.366 0.861 0.583 CB 1.576 73 residues pruned to eliminate duplicates Z: 54 46.730 2.321 0.992 0.397 0.925 0.585 CB 1.673 54 residues pruned to eliminate duplicates Z: 83 75.081 2.421 1.243 0.488 0.890 0.744 CB 1.736 83 residues pruned to eliminate duplicates Z: 59 43.882 2.306 0.876 0.420 0.879 0.655 CB 1.647 59 residues pruned to eliminate duplicates Z: 46 48.286 2.360 0.956 0.440 0.956 0.733 CB 1.735 46 residues pruned to eliminate duplicates Z: 48 49.476 2.343 1.133 0.432 0.915 0.702 CB 1.694 48 residues pruned to eliminate duplicates Z: 10 25.219 2.391 1.069 0.495 1.000 0.667 CB 1.708 10 residues pruned to eliminate duplicates Z: 76 73.192 2.421 1.160 0.484 0.920 0.640 CB 1.786 76 residues pruned to eliminate duplicates Z: 79 63.261 2.373 1.106 0.475 0.846 0.654 CB 1.737 79 residues pruned to eliminate duplicates Z: 70 49.134 2.305 0.882 0.398 0.913 0.638 CB 1.663 70 residues pruned to eliminate duplicates Z: 64 46.861 2.285 0.871 0.417 0.921 0.651 CB 1.636 64 residues pruned to eliminate duplicates Z: 52 38.828 2.343 0.830 0.385 0.882 0.627 CB 1.625 52 residues pruned to eliminate duplicates Z: 102 69.701 2.406 1.042 0.444 0.881 0.614 CB 1.697 102 residues pruned to eliminate duplicates Z: 68 48.376 2.359 0.857 0.391 0.910 0.582 CB 1.663 68 residues pruned to eliminate duplicates Z: 79 65.210 2.376 1.078 0.467 0.885 0.628 CB 1.747 79 residues pruned to eliminate duplicates Z: 69 46.686 2.323 0.913 0.374 0.882 0.632 CB 1.651 69 residues pruned to eliminate duplicates Z: 77 67.226 2.426 1.078 0.467 0.921 0.658 CB 1.719 77 residues pruned to eliminate duplicates Z: 73 47.217 2.310 0.968 0.376 0.875 0.583 CB 1.598 73 residues pruned to eliminate duplicates Z: 52 43.038 2.349 0.924 0.392 0.902 0.647 CB 1.657 52 residues pruned to eliminate duplicates Z: 73 45.740 2.306 0.855 0.380 0.903 0.639 CB 1.586 73 residues pruned to eliminate duplicates Z: 49 45.302 2.357 1.038 0.419 0.875 0.667 CB 1.693 49 residues pruned to eliminate duplicates Z: 139 75.424 2.383 0.881 0.454 0.884 0.616 CB 1.698 139 residues pruned to eliminate duplicates Z: 46 48.133 2.304 0.988 0.465 0.933 0.756 CB 1.740 46 residues pruned to eliminate duplicates Z: 71 49.013 2.349 0.955 0.385 0.871 0.586 CB 1.654 71 residues pruned to eliminate duplicates Z: 68 47.376 2.287 0.975 0.396 0.896 0.612 CB 1.596 68 residues pruned to eliminate duplicates Z: 55 44.635 2.348 1.062 0.393 0.852 0.630 CB 1.649 55 residues pruned to eliminate duplicates Z: 52 46.172 2.351 1.045 0.405 0.882 0.627 CB 1.685 52 residues pruned to eliminate duplicates Z: 88 64.959 2.358 1.052 0.455 0.897 0.552 CB 1.682 88 residues pruned to eliminate duplicates Z: 83 64.116 2.385 1.107 0.448 0.878 0.610 CB 1.693 83 residues pruned to eliminate duplicates Z: 71 45.940 2.284 0.885 0.375 0.886 0.600 CB 1.645 71 residues pruned to eliminate duplicates Z: 118 70.985 2.396 0.896 0.461 0.863 0.573 CB 1.742 118 residues pruned to eliminate duplicates Z: 8 5.194 1.852 0.529 0.187 0.857 0.143 C 1.177 8 residues pruned to eliminate duplicates Z: 17 12.756 1.829 0.636 0.369 0.938 0.375 CB 1.308 17 residues pruned to eliminate duplicates Z: 54 35.152 2.300 0.636 0.453 0.849 0.547 CB 1.586 54 residues pruned to eliminate duplicates Z: 73 61.795 2.456 0.868 0.494 0.903 0.597 CB 1.769 73 residues pruned to eliminate duplicates Z: 26 30.856 2.409 1.109 0.412 0.840 0.440 CB 1.586 26 residues pruned to eliminate duplicates Z: 52 45.269 2.418 0.763 0.479 0.882 0.490 CB 1.722 52 residues pruned to eliminate duplicates Z: 24 29.731 2.528 1.095 0.354 0.826 0.435 CB 1.660 24 residues pruned to eliminate duplicates Z: 13 19.980 2.373 1.043 0.315 0.833 0.417 CB 1.752 13 residues pruned to eliminate duplicates Z: 50 56.675 2.479 0.955 0.505 0.918 0.592 CB 1.810 50 residues pruned to eliminate duplicates Z: 51 40.982 2.336 0.749 0.458 0.880 0.500 CB 1.683 51 residues pruned to eliminate duplicates Z: 63 37.503 2.266 0.707 0.439 0.790 0.532 CB 1.660 63 residues pruned to eliminate duplicates Z: 79 58.238 2.409 0.827 0.500 0.885 0.641 CB 1.694 79 residues pruned to eliminate duplicates Z: 67 50.810 2.426 0.719 0.498 0.879 0.636 CB 1.709 67 residues pruned to eliminate duplicates Z: 67 56.029 2.461 0.882 0.446 0.909 0.606 CB 1.731 67 residues pruned to eliminate duplicates Z: 23 34.899 2.466 1.097 0.386 0.864 0.500 CB 1.879 23 residues pruned to eliminate duplicates Z: 65 57.496 2.486 0.948 0.434 0.891 0.562 CB 1.784 65 residues pruned to eliminate duplicates Z: 58 54.015 2.455 0.858 0.468 0.912 0.614 CB 1.777 58 residues pruned to eliminate duplicates Z: 52 43.929 2.379 0.838 0.495 0.804 0.588 CB 1.759 52 residues pruned to eliminate duplicates Z: 76 58.537 2.443 0.743 0.475 0.920 0.640 CB 1.770 76 residues pruned to eliminate duplicates Z: 75 44.268 2.327 0.709 0.431 0.851 0.514 CB 1.634 75 residues pruned to eliminate duplicates Z: 47 44.045 2.362 0.815 0.468 0.891 0.522 CB 1.756 47 residues pruned to eliminate duplicates Z: 55 66.889 2.438 0.922 0.585 0.981 0.685 CB 1.824 55 residues pruned to eliminate duplicates Z: 52 44.630 2.413 0.800 0.484 0.843 0.510 CB 1.735 52 residues pruned to eliminate duplicates Z: 80 61.545 2.441 0.794 0.511 0.873 0.570 CB 1.791 80 residues pruned to eliminate duplicates Z: 45 39.344 2.322 0.685 0.456 0.932 0.591 CB 1.702 45 residues pruned to eliminate duplicates Z: 37 43.317 2.425 0.629 0.555 1.000 0.667 CB 1.732 37 residues pruned to eliminate duplicates Z: 32 36.774 2.261 0.676 0.568 0.968 0.548 CB 1.686 32 residues pruned to eliminate duplicates Z: 29 37.860 2.351 0.611 0.612 0.929 0.607 CB 1.829 29 residues pruned to eliminate duplicates Z: 76 64.848 2.476 0.886 0.494 0.907 0.547 CB 1.779 76 residues pruned to eliminate duplicates Z: 57 56.350 2.406 0.722 0.562 0.982 0.643 CB 1.743 57 residues pruned to eliminate duplicates Z: 39 36.708 2.291 0.622 0.511 0.921 0.526 CB 1.721 39 residues pruned to eliminate duplicates Z: 36 51.218 2.508 0.719 0.568 1.000 0.686 CB 1.880 36 residues pruned to eliminate duplicates Z: 78 58.830 2.417 0.834 0.482 0.896 0.597 CB 1.718 78 residues pruned to eliminate duplicates Z: 29 43.568 2.339 0.726 0.612 1.000 0.607 CB 1.834 29 residues pruned to eliminate duplicates Z: 52 38.140 2.333 0.631 0.475 0.863 0.588 CB 1.668 52 residues pruned to eliminate duplicates Z: 63 57.250 2.402 0.797 0.544 0.935 0.694 CB 1.725 63 residues pruned to eliminate duplicates Z: 57 60.196 2.422 0.764 0.591 0.964 0.661 CB 1.789 57 residues pruned to eliminate duplicates Z: 30 43.467 2.351 0.682 0.624 1.000 0.724 CB 1.816 30 residues pruned to eliminate duplicates Z: 45 29.567 2.318 0.547 0.393 0.864 0.545 CB 1.612 45 residues pruned to eliminate duplicates Z: 34 41.308 2.420 0.638 0.591 0.970 0.697 CB 1.715 34 residues pruned to eliminate duplicates Z: 78 63.977 2.445 0.887 0.496 0.896 0.610 CB 1.771 78 residues pruned to eliminate duplicates Z: 56 56.473 2.434 0.768 0.588 0.927 0.673 CB 1.754 56 residues pruned to eliminate duplicates Z: 30 43.613 2.322 0.752 0.628 1.000 0.586 CB 1.765 30 residues pruned to eliminate duplicates Z: 72 66.547 2.465 0.909 0.514 0.944 0.690 CB 1.755 72 residues pruned to eliminate duplicates Z: 43 51.093 2.437 0.910 0.506 0.952 0.643 CB 1.769 43 residues pruned to eliminate duplicates Z: 46 36.813 2.286 0.677 0.503 0.889 0.511 CB 1.605 46 residues pruned to eliminate duplicates Z: 59 55.014 2.385 0.853 0.553 0.966 0.621 CB 1.608 59 residues pruned to eliminate duplicates Z: 77 68.135 2.493 0.923 0.526 0.921 0.645 CB 1.726 77 residues pruned to eliminate duplicates Z: 54 53.456 2.416 0.813 0.540 0.981 0.642 CB 1.643 54 residues pruned to eliminate duplicates Z: 38 29.381 2.251 0.538 0.474 0.865 0.622 CB 1.656 38 residues pruned to eliminate duplicates Z: 12 23.112 2.562 1.002 0.314 1.000 0.636 CB 1.669 12 residues pruned to eliminate duplicates Z: 133 78.832 2.401 0.978 0.447 0.894 0.621 CB 1.707 133 residues pruned to eliminate duplicates Z: 42 48.675 2.455 0.889 0.516 0.927 0.585 CB 1.741 42 residues pruned to eliminate duplicates Z: 31 40.986 2.418 0.951 0.500 0.967 0.700 CB 1.641 31 residues pruned to eliminate duplicates Z: 43 46.066 2.371 0.897 0.507 0.952 0.643 CB 1.648 43 residues pruned to eliminate duplicates Z: 78 69.306 2.496 0.932 0.524 0.909 0.649 CB 1.759 78 residues pruned to eliminate duplicates Z: 32 40.335 2.413 0.966 0.498 0.903 0.710 CB 1.695 32 residues pruned to eliminate duplicates Z: 56 65.994 2.464 0.904 0.587 0.964 0.636 CB 1.811 56 residues pruned to eliminate duplicates Z: 33 45.621 2.405 0.913 0.501 0.969 0.719 CB 1.808 33 residues pruned to eliminate duplicates Z: 8 13.052 2.410 1.183 0.280 0.857 0.714 CA 1.402 8 residues pruned to eliminate duplicates Z: 31 30.988 2.305 0.809 0.440 0.867 0.633 CB 1.665 31 residues pruned to eliminate duplicates Z: 77 69.451 2.492 0.887 0.515 0.934 0.658 CB 1.787 77 residues pruned to eliminate duplicates Z: 57 62.724 2.463 0.909 0.589 0.929 0.643 CB 1.763 57 residues pruned to eliminate duplicates Z: 14 29.602 2.239 0.551 0.908 1.000 0.923 CB 1.679 15 residues pruned to eliminate duplicates Z: 15 27.616 2.204 0.423 0.923 1.000 0.857 CB 1.653 15 residues pruned to eliminate duplicates Z: 15 28.942 2.173 0.752 0.839 0.929 0.929 CB 1.634 15 residues pruned to eliminate duplicates Z: 31 45.544 2.479 1.015 0.529 0.933 0.633 CB 1.734 30 residues pruned to eliminate duplicates Z: 15 32.569 2.173 0.852 0.872 0.929 0.786 CB 1.698 15 residues pruned to eliminate duplicates Z: 54 44.734 2.334 0.930 0.528 0.868 0.604 CB 1.529 54 residues pruned to eliminate duplicates Z: 20 46.319 2.489 1.234 0.679 0.895 0.789 CB 1.811 21 residues pruned to eliminate duplicates Z: 13 37.048 2.243 1.156 0.851 0.917 0.833 CB 1.786 13 residues pruned to eliminate duplicates Z: 32 46.404 2.427 1.068 0.513 0.968 0.710 CB 1.694 32 residues pruned to eliminate duplicates Z: 21 40.984 2.371 1.062 0.694 1.000 0.750 CB 1.570 21 residues pruned to eliminate duplicates Z: 14 39.931 2.245 1.022 0.896 1.000 0.846 CB 1.748 14 residues pruned to eliminate duplicates Z: 7 9.743 1.549 0.711 0.637 1.000 0.667 N 1.320 7 residues pruned to eliminate duplicates Z: 12 5.685 1.980 0.480 0.206 0.636 0.273 CB 1.301 12 residues pruned to eliminate duplicates Z: 23 18.665 2.189 0.738 0.305 0.864 0.545 CB 1.504 23 residues pruned to eliminate duplicates Z: 17 16.894 2.098 0.676 0.365 0.875 0.688 CA 1.586 17 residues pruned to eliminate duplicates Z: 16 19.167 2.161 0.773 0.463 0.867 0.733 CA 1.547 16 residues pruned to eliminate duplicates Z: 16 16.602 2.167 0.717 0.407 0.867 0.733 CA 1.467 16 residues pruned to eliminate duplicates Z: 18 17.874 2.107 0.674 0.382 0.824 0.588 CA 1.692 18 residues pruned to eliminate duplicates Z: 20 16.654 2.036 0.720 0.376 0.789 0.474 CA 1.577 20 residues pruned to eliminate duplicates Z: 18 16.619 2.110 0.464 0.440 0.882 0.588 CA 1.573 18 residues pruned to eliminate duplicates Z: 6 5.409 1.645 0.655 0.471 0.800 0.600 N 1.145 6 residues pruned to eliminate duplicates Z: 17 15.939 2.016 0.721 0.359 0.812 0.688 CA 1.646 17 residues pruned to eliminate duplicates Z: 15 21.520 2.278 0.735 0.379 0.929 0.857 CA 1.783 15 residues pruned to eliminate duplicates Z: 18 16.902 2.081 0.574 0.409 0.882 0.706 CA 1.559 18 residues pruned to eliminate duplicates Z: 17 18.898 2.090 0.579 0.377 0.938 0.625 CB 1.741 17 residues pruned to eliminate duplicates Z: 17 16.012 2.084 0.600 0.413 0.875 0.750 CA 1.503 17 residues pruned to eliminate duplicates Z: 8 3.907 1.520 0.612 0.392 0.857 0.571 CA 0.788 8 residues pruned to eliminate duplicates Z: 7 6.466 1.985 0.746 0.342 0.667 0.500 CB 1.356 7 residues pruned to eliminate duplicates Z: 15 8.826 2.013 0.488 0.301 0.786 0.357 CB 1.251 15 residues pruned to eliminate duplicates Z: 14 8.508 1.916 0.610 0.316 0.769 0.308 CB 1.219 14 residues pruned to eliminate duplicates Z: 16 11.023 1.987 0.714 0.344 0.800 0.533 CB 1.238 16 residues pruned to eliminate duplicates Z: 15 10.991 2.022 0.581 0.364 0.786 0.643 CB 1.354 15 residues pruned to eliminate duplicates Z: 13 10.391 1.872 0.545 0.482 0.833 0.583 CA 1.268 13 residues pruned to eliminate duplicates Z: 11 9.472 1.842 0.479 0.474 0.900 0.700 CA 1.255 11 residues pruned to eliminate duplicates Z: 12 6.210 1.711 0.649 0.396 0.727 0.545 CB 1.019 12 residues pruned to eliminate duplicates Z: 19 11.095 1.891 0.624 0.326 0.778 0.444 CA 1.326 19 residues pruned to eliminate duplicates Z: 15 10.298 1.949 0.804 0.386 0.786 0.571 CB 1.124 15 residues pruned to eliminate duplicates Z: 11 15.071 1.759 0.995 0.693 1.000 0.700 CA 1.138 11 residues pruned to eliminate duplicates Z: 45 40.169 2.200 0.702 0.508 0.909 0.727 CB 1.766 45 residues pruned to eliminate duplicates Z: 10 18.621 2.173 0.959 0.656 1.000 0.778 CB 1.261 10 residues pruned to eliminate duplicates Z: 30 38.824 2.263 0.795 0.610 0.966 0.759 CB 1.657 30 residues pruned to eliminate duplicates Z: 23 21.559 2.191 0.725 0.369 0.818 0.682 CB 1.710 23 residues pruned to eliminate duplicates Z: 16 31.283 2.224 1.111 0.632 1.000 0.800 CB 1.519 16 residues pruned to eliminate duplicates Z: 32 39.733 2.258 0.892 0.614 0.903 0.774 CB 1.660 32 residues pruned to eliminate duplicates Z: 37 36.570 2.240 0.825 0.509 0.861 0.722 CB 1.716 37 residues pruned to eliminate duplicates Z: 44 41.654 2.223 0.838 0.494 0.907 0.767 CB 1.725 44 residues pruned to eliminate duplicates Z: 24 24.582 2.130 0.674 0.576 0.826 0.609 CB 1.618 24 residues pruned to eliminate duplicates Z: 18 31.206 2.341 1.190 0.568 0.824 0.765 CB 1.678 18 residues pruned to eliminate duplicates Z: 19 28.853 2.338 1.159 0.494 0.889 0.778 CB 1.525 19 residues pruned to eliminate duplicates Z: 30 39.496 2.218 0.989 0.607 0.897 0.759 CB 1.675 30 residues pruned to eliminate duplicates Z: 8 28.269 2.411 1.415 0.536 1.000 0.714 CB 1.771 8 residues pruned to eliminate duplicates Z: 36 32.194 2.102 0.868 0.589 0.886 0.771 CB 1.437 36 residues pruned to eliminate duplicates Z: 24 34.116 2.156 0.859 0.632 0.957 0.739 CB 1.639 24 residues pruned to eliminate duplicates Z: 16 26.706 2.179 0.443 0.756 1.000 0.800 CA 1.746 16 residues pruned to eliminate duplicates Z: 45 43.399 2.207 0.837 0.523 0.886 0.750 CB 1.779 45 residues pruned to eliminate duplicates Z: 38 38.438 2.199 0.770 0.612 0.919 0.730 CB 1.589 38 residues pruned to eliminate duplicates Z: 21 27.162 2.165 0.512 0.689 0.950 0.800 CB 1.643 21 residues pruned to eliminate duplicates Z: 25 18.834 1.916 0.610 0.505 0.917 0.667 CB 1.353 25 residues pruned to eliminate duplicates Z: 23 30.247 2.123 0.735 0.675 0.909 0.773 CB 1.638 23 residues pruned to eliminate duplicates Z: 22 39.421 2.189 0.878 0.699 1.000 0.857 CB 1.745 22 residues pruned to eliminate duplicates Z: 65 44.231 2.218 0.661 0.520 0.906 0.562 CB 1.623 65 residues pruned to eliminate duplicates Z: 22 31.779 2.174 0.838 0.669 0.905 0.714 CB 1.641 22 residues pruned to eliminate duplicates Z: 31 45.995 2.239 0.988 0.670 0.967 0.733 CB 1.668 31 residues pruned to eliminate duplicates Z: 18 26.157 2.064 0.781 0.702 0.941 0.706 CB 1.526 18 residues pruned to eliminate duplicates Z: 35 34.612 2.135 0.915 0.589 0.882 0.618 CB 1.511 35 residues pruned to eliminate duplicates Z: 91 48.667 2.236 0.812 0.434 0.878 0.556 CB 1.544 91 residues pruned to eliminate duplicates Z: 23 32.473 2.141 0.902 0.694 0.909 0.636 CB 1.567 23 residues pruned to eliminate duplicates Z: 83 55.125 2.264 0.908 0.489 0.902 0.671 CB 1.578 83 residues pruned to eliminate duplicates Z: 52 40.472 2.280 0.755 0.428 0.922 0.569 CB 1.656 52 residues pruned to eliminate duplicates Z: 96 50.230 2.231 0.819 0.430 0.863 0.579 CB 1.582 96 residues pruned to eliminate duplicates Z: 54 35.301 2.295 0.605 0.401 0.887 0.585 CB 1.648 54 residues pruned to eliminate duplicates Z: 80 49.313 2.266 0.863 0.436 0.873 0.595 CB 1.608 80 residues pruned to eliminate duplicates Z: 65 43.105 2.287 0.717 0.416 0.875 0.562 CB 1.713 65 residues pruned to eliminate duplicates Z: 68 42.669 2.299 0.804 0.393 0.881 0.597 CB 1.598 68 residues pruned to eliminate duplicates Z: 55 40.170 2.262 0.874 0.404 0.907 0.630 CB 1.572 55 residues pruned to eliminate duplicates Z: 102 58.537 2.281 0.913 0.463 0.891 0.614 CB 1.556 102 residues pruned to eliminate duplicates Z: 73 40.705 2.277 0.836 0.373 0.833 0.625 CB 1.577 73 residues pruned to eliminate duplicates Z: 69 43.396 2.248 0.874 0.411 0.868 0.588 CB 1.581 69 residues pruned to eliminate duplicates Z: 71 41.280 2.306 0.699 0.389 0.871 0.629 CB 1.626 71 residues pruned to eliminate duplicates Z: 75 43.456 2.295 0.731 0.384 0.878 0.608 CB 1.637 75 residues pruned to eliminate duplicates Z: 67 44.426 2.225 0.912 0.406 0.879 0.591 CB 1.615 67 residues pruned to eliminate duplicates Z: 69 46.376 2.275 0.838 0.421 0.912 0.618 CB 1.601 69 residues pruned to eliminate duplicates Z: 74 48.311 2.242 0.890 0.460 0.877 0.616 CB 1.586 74 residues pruned to eliminate duplicates Z: 63 49.841 2.353 0.890 0.427 0.903 0.661 CB 1.700 63 residues pruned to eliminate duplicates Z: 69 42.852 2.292 0.871 0.397 0.853 0.603 CB 1.585 69 residues pruned to eliminate duplicates Z: 84 54.631 2.265 0.869 0.489 0.904 0.663 CB 1.585 84 residues pruned to eliminate duplicates Z: 73 39.553 2.254 0.734 0.386 0.875 0.597 CB 1.539 73 residues pruned to eliminate duplicates Z: 68 52.951 2.266 0.939 0.487 0.925 0.642 CB 1.612 68 residues pruned to eliminate duplicates Z: 54 39.869 2.287 0.844 0.403 0.906 0.585 CB 1.587 54 residues pruned to eliminate duplicates Z: 50 43.119 2.263 0.993 0.425 0.939 0.633 CB 1.573 50 residues pruned to eliminate duplicates Z: 64 46.072 2.297 0.842 0.432 0.889 0.603 CB 1.656 64 residues pruned to eliminate duplicates Z: 74 45.484 2.263 0.987 0.387 0.836 0.603 CB 1.598 74 residues pruned to eliminate duplicates Z: 47 43.186 2.303 0.859 0.445 0.935 0.674 CB 1.684 47 residues pruned to eliminate duplicates Z: 67 45.977 2.315 0.901 0.379 0.879 0.621 CB 1.665 67 residues pruned to eliminate duplicates Z: 102 59.105 2.363 0.817 0.431 0.901 0.663 CB 1.633 102 residues pruned to eliminate duplicates Z: 106 63.728 2.349 0.802 0.475 0.914 0.686 CB 1.649 106 residues pruned to eliminate duplicates Z: 91 52.482 2.274 0.896 0.416 0.867 0.622 CB 1.616 91 residues pruned to eliminate duplicates Z: 73 46.098 2.262 0.933 0.391 0.875 0.583 CB 1.594 73 residues pruned to eliminate duplicates Z: 48 32.871 2.239 0.827 0.360 0.872 0.617 CB 1.562 48 residues pruned to eliminate duplicates Z: 75 41.638 2.266 0.796 0.386 0.851 0.676 CB 1.577 75 residues pruned to eliminate duplicates Z: 94 62.066 2.301 0.987 0.461 0.903 0.624 CB 1.622 94 residues pruned to eliminate duplicates Z: 66 43.562 2.247 0.906 0.446 0.831 0.569 CB 1.606 66 residues pruned to eliminate duplicates Z: 50 40.594 2.296 0.916 0.406 0.898 0.571 CB 1.621 50 residues pruned to eliminate duplicates Z: 66 43.463 2.265 0.910 0.389 0.877 0.646 CB 1.598 66 residues pruned to eliminate duplicates Z: 44 41.355 2.305 0.895 0.445 0.930 0.721 CB 1.643 44 residues pruned to eliminate duplicates Z: 77 42.548 2.232 0.846 0.364 0.868 0.592 CB 1.578 77 residues pruned to eliminate duplicates Z: 49 43.802 2.285 0.947 0.414 0.958 0.667 CB 1.623 49 residues pruned to eliminate duplicates Z: 74 54.104 2.287 0.911 0.468 0.932 0.685 CB 1.608 74 residues pruned to eliminate duplicates Z: 95 48.209 2.239 0.844 0.405 0.862 0.606 CB 1.544 95 residues pruned to eliminate duplicates Z: 80 57.663 2.291 1.026 0.466 0.899 0.658 CB 1.611 80 residues pruned to eliminate duplicates Z: 93 54.893 2.264 0.952 0.433 0.880 0.630 CB 1.577 93 residues pruned to eliminate duplicates Z: 65 44.107 2.253 0.967 0.417 0.875 0.625 CB 1.551 65 residues pruned to eliminate duplicates Z: 107 62.525 2.278 0.949 0.469 0.896 0.632 CB 1.575 107 residues pruned to eliminate duplicates Z: 68 42.270 2.252 0.854 0.398 0.881 0.627 CB 1.564 68 residues pruned to eliminate duplicates Z: 73 45.045 2.283 0.895 0.384 0.889 0.556 CB 1.561 73 residues pruned to eliminate duplicates Z: 63 45.076 2.280 0.895 0.416 0.903 0.597 CB 1.601 63 residues pruned to eliminate duplicates Z: 68 46.767 2.319 0.922 0.403 0.896 0.627 CB 1.584 68 residues pruned to eliminate duplicates Z: 86 52.996 2.273 0.865 0.473 0.871 0.647 CB 1.600 86 residues pruned to eliminate duplicates Z: 67 46.373 2.323 1.015 0.393 0.848 0.591 CB 1.609 67 residues pruned to eliminate duplicates Z: 70 43.984 2.274 0.940 0.374 0.855 0.609 CB 1.607 70 residues pruned to eliminate duplicates Z: 62 49.288 2.332 0.938 0.408 0.918 0.639 CB 1.675 62 residues pruned to eliminate duplicates Z: 94 54.648 2.261 0.919 0.449 0.892 0.667 CB 1.541 94 residues pruned to eliminate duplicates Z: 79 47.227 2.253 0.868 0.413 0.872 0.603 CB 1.597 79 residues pruned to eliminate duplicates Z: 72 41.104 2.213 0.832 0.374 0.873 0.606 CB 1.577 72 residues pruned to eliminate duplicates Z: 67 44.659 2.285 0.865 0.373 0.864 0.621 CB 1.711 67 residues pruned to eliminate duplicates Z: 82 54.223 2.355 0.975 0.370 0.877 0.605 CB 1.699 82 residues pruned to eliminate duplicates Z: 77 50.979 2.298 0.966 0.385 0.895 0.592 CB 1.634 77 residues pruned to eliminate duplicates Z: 82 57.438 2.358 1.003 0.383 0.877 0.630 CB 1.746 82 residues pruned to eliminate duplicates Z: 98 56.598 2.229 0.904 0.463 0.866 0.608 CB 1.625 98 residues pruned to eliminate duplicates Z: 29 24.314 2.278 0.813 0.330 0.821 0.571 CB 1.632 29 residues pruned to eliminate duplicates Z: 9 11.861 2.039 1.132 0.453 0.750 0.500 CB 1.350 9 residues pruned to eliminate duplicates Z: 67 67.451 2.537 1.045 0.467 0.909 0.636 CB 1.820 67 residues pruned to eliminate duplicates Z: 24 31.389 2.427 1.046 0.364 0.826 0.478 CA 1.847 24 residues pruned to eliminate duplicates Z: 103 60.449 2.295 0.964 0.401 0.882 0.559 CB 1.670 103 residues pruned to eliminate duplicates Z: 26 18.531 2.246 0.738 0.295 0.760 0.440 CA 1.572 26 residues pruned to eliminate duplicates Z: 78 64.207 2.455 0.841 0.555 0.896 0.636 CB 1.712 78 residues pruned to eliminate duplicates Z: 48 33.333 2.306 0.801 0.281 0.872 0.511 CB 1.718 48 residues pruned to eliminate duplicates Z: 83 51.739 2.348 0.922 0.381 0.866 0.524 CB 1.660 83 residues pruned to eliminate duplicates Z: 51 59.223 2.480 0.963 0.500 0.900 0.560 CB 1.912 51 residues pruned to eliminate duplicates Z: 48 47.027 2.448 0.891 0.451 0.851 0.532 CB 1.832 48 residues pruned to eliminate duplicates Z: 27 29.822 2.208 0.996 0.403 0.885 0.500 CB 1.662 27 residues pruned to eliminate duplicates Z: 38 36.196 2.407 1.033 0.384 0.784 0.486 CB 1.755 38 residues pruned to eliminate duplicates Z: 67 58.819 2.484 0.806 0.493 0.909 0.636 CB 1.788 67 residues pruned to eliminate duplicates Z: 22 32.324 2.455 1.116 0.369 0.857 0.524 CA 1.824 22 residues pruned to eliminate duplicates Z: 50 44.429 2.387 0.768 0.460 0.857 0.551 CB 1.827 50 residues pruned to eliminate duplicates Z: 22 29.654 2.493 0.834 0.358 0.857 0.476 CA 1.925 22 residues pruned to eliminate duplicates Z: 36 32.985 2.363 0.855 0.328 0.829 0.429 CB 1.854 36 residues pruned to eliminate duplicates Z: 22 27.763 2.375 0.688 0.379 0.905 0.429 CB 1.899 22 residues pruned to eliminate duplicates Z: 77 68.070 2.496 0.816 0.510 0.934 0.658 CB 1.825 77 residues pruned to eliminate duplicates Z: 86 65.877 2.455 0.848 0.472 0.894 0.576 CB 1.812 86 residues pruned to eliminate duplicates Z: 31 44.328 2.381 0.886 0.627 0.867 0.533 CB 1.846 31 residues pruned to eliminate duplicates Z: 36 38.718 2.364 0.761 0.534 0.857 0.600 CB 1.773 36 residues pruned to eliminate duplicates Z: 44 45.190 2.373 0.829 0.490 0.884 0.512 CB 1.815 44 residues pruned to eliminate duplicates Z: 57 53.644 2.413 0.886 0.504 0.857 0.536 CB 1.831 57 residues pruned to eliminate duplicates Z: 44 54.333 2.514 0.844 0.546 0.930 0.488 CB 1.836 44 residues pruned to eliminate duplicates Z: 38 44.837 2.377 0.799 0.526 0.919 0.568 CB 1.829 38 residues pruned to eliminate duplicates Z: 60 49.774 2.423 0.667 0.554 0.915 0.678 CB 1.664 60 residues pruned to eliminate duplicates Z: 29 46.249 2.380 0.865 0.675 0.929 0.571 CB 1.806 29 residues pruned to eliminate duplicates Z: 57 61.457 2.460 0.783 0.589 0.982 0.732 CB 1.752 57 residues pruned to eliminate duplicates Z: 43 37.236 2.389 0.792 0.471 0.833 0.571 CB 1.658 43 residues pruned to eliminate duplicates Z: 40 41.989 2.441 0.797 0.496 0.846 0.538 CB 1.820 40 residues pruned to eliminate duplicates Z: 79 62.108 2.465 0.768 0.487 0.897 0.615 CB 1.822 79 residues pruned to eliminate duplicates Z: 44 46.646 2.372 0.868 0.531 0.930 0.628 CB 1.674 44 residues pruned to eliminate duplicates Z: 48 43.172 2.349 0.913 0.448 0.851 0.468 CB 1.736 48 residues pruned to eliminate duplicates Z: 39 51.086 2.459 0.914 0.541 0.921 0.579 CB 1.836 39 residues pruned to eliminate duplicates Z: 78 70.655 2.484 0.879 0.535 0.935 0.623 CB 1.783 78 residues pruned to eliminate duplicates Z: 129 69.886 2.332 0.920 0.418 0.867 0.539 CB 1.732 129 residues pruned to eliminate duplicates Z: 53 49.744 2.473 0.840 0.428 0.923 0.577 CB 1.769 53 residues pruned to eliminate duplicates Z: 32 52.399 2.405 0.887 0.613 1.000 0.516 CB 1.862 32 residues pruned to eliminate duplicates Z: 58 61.811 2.459 0.865 0.598 0.930 0.667 CB 1.749 58 residues pruned to eliminate duplicates Z: 44 43.762 2.441 0.845 0.456 0.884 0.512 CB 1.753 33 residues pruned to eliminate duplicates Z: 17 43.086 2.257 0.952 0.883 1.000 0.750 CB 1.768 17 residues pruned to eliminate duplicates Z: 28 55.209 2.488 0.972 0.632 1.000 0.481 CB 1.913 28 residues pruned to eliminate duplicates Z: 80 68.009 2.462 0.881 0.523 0.899 0.570 CB 1.797 80 residues pruned to eliminate duplicates Z: 56 59.516 2.506 0.758 0.601 0.945 0.673 CB 1.750 56 residues pruned to eliminate duplicates Z: 56 65.751 2.524 0.862 0.607 0.964 0.764 CB 1.769 56 residues pruned to eliminate duplicates Z: 31 38.980 2.496 0.761 0.521 0.967 0.633 CB 1.640 31 residues pruned to eliminate duplicates Z: 52 52.825 2.437 0.922 0.486 0.902 0.569 CB 1.775 52 residues pruned to eliminate duplicates Z: 19 25.400 2.567 1.146 0.281 0.833 0.611 CB 1.670 22 residues pruned to eliminate duplicates Z: 6 9.714 2.178 1.231 0.265 0.800 0.400 CA 1.461 6 residues pruned to eliminate duplicates Z: 58 61.343 2.465 0.833 0.595 0.965 0.596 CB 1.702 31 residues pruned to eliminate duplicates Z: 6 6.738 1.923 0.692 0.420 0.800 0.800 C 1.259 Z: 17 25.066 2.334 0.468 0.701 0.938 0.812 CB 1.624 4 residues pruned to eliminate duplicates Z: 15 24.623 2.256 0.376 0.779 1.000 0.786 CB 1.658 15 residues pruned to eliminate duplicates Z: 79 68.776 2.484 0.984 0.528 0.885 0.615 CB 1.738 57 residues pruned to eliminate duplicates Z: 15 22.790 2.099 0.356 0.894 1.000 0.929 CB 1.535 14 residues pruned to eliminate duplicates Z: 15 27.783 2.117 0.739 0.883 1.000 0.857 CB 1.459 15 residues pruned to eliminate duplicates Z: 57 61.143 2.472 0.913 0.606 0.911 0.643 CB 1.715 57 residues pruned to eliminate duplicates Z: 21 32.486 2.314 0.825 0.687 0.950 0.750 CB 1.526 20 residues pruned to eliminate duplicates Z: 15 28.247 2.115 0.624 0.918 1.000 0.786 CB 1.551 15 residues pruned to eliminate duplicates Z: 32 42.613 2.415 0.947 0.545 0.968 0.774 CB 1.610 53 residues pruned to eliminate duplicates Z: 31 43.396 2.478 1.068 0.543 0.933 0.667 CB 1.588 31 residues pruned to eliminate duplicates Z: 31 47.878 2.454 1.169 0.533 0.967 0.733 CB 1.646 31 residues pruned to eliminate duplicates Z: 19 44.744 2.468 1.049 0.718 1.000 0.722 CB 1.713 Z: 14 37.989 2.237 1.119 0.912 1.000 0.923 CB 1.574 13 residues pruned to eliminate duplicates 374 residues left after pruning, divided into chains as follows: A: 120 B: 67 C: 22 D: 145 E: 20 CC for partial structure against native data = 41.22 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 4 used as input for final density modification = 0.300, Contrast = 0.526, Connect. = 0.759 for dens.mod. cycle 1 = 0.300, Contrast = 0.608, Connect. = 0.790 for dens.mod. cycle 2 = 0.300, Contrast = 0.723, Connect. = 0.816 for dens.mod. cycle 3 = 0.300, Contrast = 0.739, Connect. = 0.819 for dens.mod. cycle 4 = 0.300, Contrast = 0.754, Connect. = 0.822 for dens.mod. cycle 5 = 0.300, Contrast = 0.761, Connect. = 0.824 for dens.mod. cycle 6 = 0.300, Contrast = 0.768, Connect. = 0.825 for dens.mod. cycle 7 = 0.300, Contrast = 0.771, Connect. = 0.826 for dens.mod. cycle 8 = 0.300, Contrast = 0.775, Connect. = 0.827 for dens.mod. cycle 9 = 0.300, Contrast = 0.776, Connect. = 0.827 for dens.mod. cycle 10 TimeTaking 229.32