++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 20:38:32 on 14 Sep 2019 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful. Command line parameters: ./2it9-1.9-parrot-mrncs/2it9-1.9-parrot-mrncs.phi -a -n -t20 Cell and symmetry only from ./2it9-1.9-parrot-mrncs/2it9-1.9-parrot-mrncs.ins Phases from ./2it9-1.9-parrot-mrncs/2it9-1.9-parrot-mrncs.phi Native data from ./2it9-1.9-parrot-mrncs/2it9-1.9-parrot-mrncs.hkl Listing output to ./2it9-1.9-parrot-mrncs/2it9-1.9-parrot-mrncs.lst Phases output to ./2it9-1.9-parrot-mrncs/2it9-1.9-parrot-mrncs.phs Poly-Ala trace output to ./2it9-1.9-parrot-mrncs/2it9-1.9-parrot-mrncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 21 21 21 Allowed origin shift code: 4 48134 Reflections read from file ./2it9-1.9-parrot-mrncs/2it9-1.9-parrot-mrncs.phi 48134 Reflections read from file ./2it9-1.9-parrot-mrncs/2it9-1.9-parrot-mrncs.hkl 48134 Unique data, highest resolution = 1.900 Angstroms Anisotropic scaling: intensities multiplied by 0.000528h^2 +0.000198k^2 -0.000156l^2 +0.000000kl +0.000000hl +0.000000hk 175 Reflections with d > 2.100 and 0 in range 2.100 > d > 1.900 added Density sharpening factor set to 0.90 Fourier grid = 128 x 128 x 50 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.718 = 0.300, Contrast = 0.291, Connect. = 0.665 for dens.mod. cycle 1 = 0.300, Contrast = 0.405, Connect. = 0.689 for dens.mod. cycle 2 = 0.300, Contrast = 0.579, Connect. = 0.745 for dens.mod. cycle 3 = 0.300, Contrast = 0.640, Connect. = 0.762 for dens.mod. cycle 4 = 0.300, Contrast = 0.670, Connect. = 0.770 for dens.mod. cycle 5 = 0.300, Contrast = 0.685, Connect. = 0.774 for dens.mod. cycle 6 = 0.300, Contrast = 0.694, Connect. = 0.778 for dens.mod. cycle 7 = 0.300, Contrast = 0.700, Connect. = 0.780 for dens.mod. cycle 8 = 0.300, Contrast = 0.703, Connect. = 0.781 for dens.mod. cycle 9 = 0.300, Contrast = 0.704, Connect. = 0.782 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2207 peaks > 0.5 sigma used to seed fragment search Space for about 662 unique residues taking solvent into account 570 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 19 18.572 1.980 0.931 0.464 0.833 0.444 CB 1.425 B: 48 33.677 2.099 0.875 0.529 0.872 0.489 CB 1.391 C: 12 17.243 2.105 1.028 0.592 0.818 0.636 CB 1.364 D: 16 18.496 2.150 0.844 0.459 0.800 0.600 CB 1.570 E: 9 24.802 2.257 1.364 0.655 0.875 0.750 CB 1.626 9 residues pruned to eliminate duplicates F: 47 32.115 2.046 0.706 0.573 0.804 0.674 CB 1.572 19 residues pruned to eliminate duplicates G: 46 39.421 2.147 0.835 0.614 0.867 0.533 CB 1.545 47 residues pruned to eliminate duplicates H: 40 30.715 2.123 0.776 0.583 0.821 0.590 CB 1.468 40 residues pruned to eliminate duplicates I: 21 25.931 2.123 1.120 0.531 0.850 0.500 CB 1.471 13 residues pruned to eliminate duplicates J: 40 31.824 2.131 0.736 0.562 0.872 0.513 CB 1.487 40 residues pruned to eliminate duplicates K: 15 20.928 2.099 0.893 0.514 0.857 0.571 CB 1.619 L: 35 32.795 2.092 0.849 0.590 0.882 0.588 CB 1.511 34 residues pruned to eliminate duplicates M: 14 19.834 2.206 0.877 0.549 0.769 0.538 CB 1.646 14 residues pruned to eliminate duplicates N: 14 22.324 2.113 1.121 0.544 0.923 0.615 CB 1.434 12 residues pruned to eliminate duplicates O: 15 15.373 2.062 0.633 0.472 0.857 0.500 CA 1.465 P: 35 28.917 2.093 0.832 0.550 0.853 0.529 CB 1.445 35 residues pruned to eliminate duplicates Q: 26 47.391 2.106 1.145 0.910 1.000 0.800 CB 1.488 R: 26 47.076 2.112 1.200 0.897 1.000 0.800 CB 1.451 26 residues pruned to eliminate duplicates S: 15 30.526 2.190 0.908 0.825 0.929 0.786 CA 1.588 T: 43 37.825 2.097 0.965 0.580 0.857 0.595 CB 1.530 40 residues pruned to eliminate duplicates U: 16 18.434 2.130 0.683 0.467 0.867 0.667 CB 1.585 16 residues pruned to eliminate duplicates V: 28 49.843 2.156 1.230 0.889 0.963 0.815 CA 1.492 W: 25 44.127 2.232 1.004 0.923 0.958 0.958 CB 1.477 25 residues pruned to eliminate duplicates X: 13 18.082 2.170 1.156 0.440 0.750 0.417 CA 1.582 13 residues pruned to eliminate duplicates Y: 13 35.139 2.312 0.794 0.923 1.000 0.833 CA 1.718 14 residues pruned to eliminate duplicates Z: 13 14.421 1.958 0.791 0.583 0.750 0.583 CB 1.461 2 residues pruned to eliminate duplicates Z: 26 51.659 2.144 1.394 0.912 0.920 0.640 CB 1.550 27 residues pruned to eliminate duplicates Z: 15 29.855 2.160 0.856 0.852 0.929 0.643 CA 1.585 14 residues pruned to eliminate duplicates Z: 12 20.689 2.216 0.478 0.850 0.909 0.909 CA 1.551 12 residues pruned to eliminate duplicates Z: 13 16.660 2.237 1.024 0.458 0.750 0.500 CB 1.479 13 residues pruned to eliminate duplicates Z: 8 16.405 1.926 1.150 0.592 0.857 0.714 N 1.599 8 residues pruned to eliminate duplicates Z: 56 53.564 2.211 1.321 0.614 0.836 0.618 CB 1.510 39 residues pruned to eliminate duplicates Z: 26 39.010 2.278 1.018 0.639 0.920 0.640 CB 1.620 30 residues pruned to eliminate duplicates Z: 26 23.428 2.036 0.837 0.537 0.800 0.440 CB 1.510 26 residues pruned to eliminate duplicates Z: 37 27.772 2.058 0.878 0.485 0.806 0.528 CB 1.510 37 residues pruned to eliminate duplicates Z: 27 45.902 2.061 1.301 0.921 0.962 0.885 CB 1.389 27 residues pruned to eliminate duplicates Z: 13 26.698 2.247 0.671 0.926 1.000 0.917 CA 1.439 13 residues pruned to eliminate duplicates Z: 23 21.898 1.943 0.995 0.457 0.909 0.682 CB 1.384 Z: 19 18.173 2.024 0.736 0.485 0.889 0.611 CB 1.393 19 residues pruned to eliminate duplicates Z: 36 56.964 2.273 1.189 0.813 0.971 0.714 CB 1.518 36 residues pruned to eliminate duplicates Z: 25 50.405 2.157 1.260 0.912 0.958 0.750 CB 1.560 25 residues pruned to eliminate duplicates Z: 25 54.126 2.188 1.340 0.926 1.000 0.833 CB 1.513 25 residues pruned to eliminate duplicates Z: 25 26.513 2.113 0.721 0.671 0.917 0.583 CB 1.386 Z: 20 29.344 2.174 1.383 0.601 0.842 0.632 CB 1.401 20 residues pruned to eliminate duplicates Z: 27 48.293 2.124 1.139 0.893 0.962 0.692 CB 1.556 27 residues pruned to eliminate duplicates Z: 49 51.701 2.190 1.131 0.691 0.917 0.688 CB 1.464 28 residues pruned to eliminate duplicates Z: 25 54.457 2.166 1.237 0.916 1.000 0.833 CA 1.620 25 residues pruned to eliminate duplicates Z: 14 34.184 2.189 0.810 0.935 1.000 0.846 CA 1.668 14 residues pruned to eliminate duplicates Z: 12 19.616 1.937 0.568 0.908 1.000 0.909 CA 1.383 12 residues pruned to eliminate duplicates Z: 19 21.289 2.148 1.057 0.440 0.889 0.556 CB 1.360 Z: 26 28.395 2.205 0.761 0.618 0.840 0.720 CB 1.557 26 residues pruned to eliminate duplicates Z: 31 58.151 2.225 1.390 0.856 0.967 0.633 CB 1.523 31 residues pruned to eliminate duplicates Z: 53 44.884 2.151 0.998 0.642 0.904 0.596 CB 1.404 25 residues pruned to eliminate duplicates Z: 27 46.647 2.203 1.102 0.900 0.962 0.808 CA 1.467 27 residues pruned to eliminate duplicates Z: 13 25.636 2.226 1.161 0.601 0.833 0.667 CB 1.677 17 residues pruned to eliminate duplicates Z: 24 23.566 1.978 0.917 0.518 0.826 0.609 CB 1.541 14 residues pruned to eliminate duplicates Z: 41 35.983 2.065 0.954 0.601 0.875 0.625 CB 1.464 41 residues pruned to eliminate duplicates Z: 26 40.301 2.122 0.878 0.908 0.960 0.800 CA 1.496 Z: 12 16.068 2.080 0.942 0.608 0.727 0.545 CB 1.488 12 residues pruned to eliminate duplicates Z: 24 45.712 2.147 1.065 0.940 0.957 0.783 CB 1.561 24 residues pruned to eliminate duplicates Z: 28 50.612 2.156 1.175 0.892 1.000 0.815 CB 1.493 28 residues pruned to eliminate duplicates Z: 12 19.920 2.051 0.432 0.927 1.000 0.818 CA 1.433 12 residues pruned to eliminate duplicates Z: 27 47.691 2.188 1.090 0.892 1.000 0.808 CA 1.470 27 residues pruned to eliminate duplicates Z: 26 52.001 2.132 1.390 0.900 0.960 0.840 CB 1.519 26 residues pruned to eliminate duplicates Z: 40 32.172 2.098 0.712 0.572 0.949 0.462 CB 1.410 39 residues pruned to eliminate duplicates Z: 12 19.341 2.038 0.448 0.924 1.000 0.909 CA 1.388 12 residues pruned to eliminate duplicates Z: 10 17.011 2.030 1.403 0.556 0.778 0.778 CB 1.415 10 residues pruned to eliminate duplicates Z: 15 23.468 2.140 0.992 0.543 1.000 0.429 CB 1.410 5 residues pruned to eliminate duplicates Z: 7 7.928 1.915 0.673 0.529 0.833 0.667 CB 1.177 Z: 23 19.795 2.021 0.991 0.439 0.818 0.545 CB 1.365 23 residues pruned to eliminate duplicates Z: 117 63.553 2.118 1.039 0.587 0.905 0.586 CB 1.388 123 residues pruned to eliminate duplicates Z: 40 31.812 2.143 0.864 0.556 0.821 0.487 CB 1.471 40 residues pruned to eliminate duplicates Z: 26 54.454 2.187 1.246 0.909 1.000 0.920 CB 1.574 26 residues pruned to eliminate duplicates Z: 16 22.733 1.813 0.830 0.809 1.000 0.800 CA 1.352 16 residues pruned to eliminate duplicates Z: 12 10.995 2.040 0.596 0.539 0.727 0.636 CB 1.347 12 residues pruned to eliminate duplicates Z: 49 50.726 2.199 1.132 0.663 0.917 0.646 CB 1.464 49 residues pruned to eliminate duplicates Z: 13 32.679 2.268 1.032 0.853 0.917 0.833 CA 1.651 13 residues pruned to eliminate duplicates Z: 33 30.142 2.125 0.818 0.579 0.875 0.438 CB 1.461 33 residues pruned to eliminate duplicates Z: 16 16.123 2.080 0.744 0.531 0.933 0.667 CB 1.193 17 residues pruned to eliminate duplicates Z: 13 15.664 1.945 0.922 0.473 0.917 0.583 CB 1.356 13 residues pruned to eliminate duplicates Z: 26 26.829 2.058 0.714 0.666 0.920 0.480 CB 1.419 26 residues pruned to eliminate duplicates Z: 26 43.773 2.108 1.003 0.940 1.000 0.920 CB 1.440 26 residues pruned to eliminate duplicates Z: 26 41.621 2.055 1.026 0.912 0.960 0.880 CA 1.475 26 residues pruned to eliminate duplicates Z: 9 10.150 1.901 0.867 0.523 0.875 0.375 CB 1.130 9 residues pruned to eliminate duplicates Z: 19 45.565 2.178 1.192 0.920 1.000 0.778 CA 1.585 19 residues pruned to eliminate duplicates Z: 24 52.760 2.275 1.339 0.939 0.957 0.739 CB 1.502 24 residues pruned to eliminate duplicates Z: 25 56.902 2.195 1.392 0.942 1.000 0.792 CB 1.535 25 residues pruned to eliminate duplicates Z: 26 39.372 2.093 0.831 0.933 1.000 0.880 CB 1.434 26 residues pruned to eliminate duplicates Z: 26 43.404 2.120 1.034 0.939 0.960 0.840 CB 1.457 26 residues pruned to eliminate duplicates Z: 57 55.247 2.203 1.360 0.651 0.893 0.643 CB 1.382 59 residues pruned to eliminate duplicates Z: 17 16.213 2.015 0.873 0.465 0.812 0.312 CB 1.369 17 residues pruned to eliminate duplicates Z: 26 47.383 2.128 1.094 0.945 1.000 0.760 CB 1.472 26 residues pruned to eliminate duplicates Z: 12 7.342 1.934 0.873 0.379 0.545 0.273 CB 1.274 Z: 27 44.473 2.167 0.922 0.892 1.000 0.808 CA 1.505 27 residues pruned to eliminate duplicates Z: 26 39.030 2.061 1.010 0.910 0.960 0.720 CB 1.393 26 residues pruned to eliminate duplicates Z: 68 55.221 2.203 1.159 0.632 0.896 0.642 CB 1.400 68 residues pruned to eliminate duplicates Z: 59 52.501 2.129 1.083 0.631 0.948 0.759 CB 1.450 42 residues pruned to eliminate duplicates Z: 53 48.245 2.146 1.305 0.583 0.865 0.712 CB 1.442 53 residues pruned to eliminate duplicates Z: 26 42.532 2.125 1.001 0.934 0.960 0.840 CB 1.453 26 residues pruned to eliminate duplicates Z: 13 25.984 2.158 1.095 0.609 0.917 0.583 CB 1.633 13 residues pruned to eliminate duplicates Z: 48 53.818 2.164 1.194 0.703 0.915 0.766 CB 1.501 56 residues pruned to eliminate duplicates Z: 49 58.277 2.238 1.158 0.687 0.938 0.479 CB 1.565 49 residues pruned to eliminate duplicates Z: 27 45.555 2.042 1.134 0.917 0.962 0.846 CB 1.505 27 residues pruned to eliminate duplicates Z: 6 12.817 2.038 0.826 0.485 1.000 0.800 CB 1.564 6 residues pruned to eliminate duplicates Z: 18 19.861 2.096 0.964 0.456 0.882 0.471 CB 1.387 18 residues pruned to eliminate duplicates Z: 13 31.273 2.254 0.951 0.860 0.917 0.750 CB 1.647 13 residues pruned to eliminate duplicates Z: 43 47.878 2.176 1.331 0.636 0.857 0.714 CB 1.496 43 residues pruned to eliminate duplicates Z: 18 21.507 2.148 0.943 0.436 0.882 0.588 CB 1.513 18 residues pruned to eliminate duplicates Z: 27 40.100 2.017 1.002 0.901 1.000 0.808 CB 1.390 27 residues pruned to eliminate duplicates Z: 26 39.558 2.047 0.899 0.914 0.960 0.800 CA 1.500 26 residues pruned to eliminate duplicates Z: 24 60.761 2.216 1.562 0.940 0.957 0.739 CB 1.620 24 residues pruned to eliminate duplicates Z: 47 59.097 2.246 1.180 0.721 0.935 0.565 CB 1.559 47 residues pruned to eliminate duplicates Z: 24 52.669 2.175 1.300 0.961 1.000 0.739 CB 1.503 24 residues pruned to eliminate duplicates Z: 16 17.392 2.015 0.938 0.497 0.867 0.467 CB 1.331 28 residues pruned to eliminate duplicates Z: 12 24.304 2.249 1.112 0.621 0.727 0.636 CB 1.892 12 residues pruned to eliminate duplicates Z: 14 22.542 1.880 0.811 0.888 1.000 0.846 CA 1.324 14 residues pruned to eliminate duplicates Z: 22 32.872 2.214 0.892 0.684 0.905 0.667 CA 1.598 22 residues pruned to eliminate duplicates Z: 16 18.293 2.103 0.754 0.539 0.867 0.467 CB 1.422 15 residues pruned to eliminate duplicates Z: 14 31.237 2.308 1.001 0.882 0.846 0.538 CB 1.604 14 residues pruned to eliminate duplicates Z: 27 40.319 2.036 0.865 0.924 1.000 0.846 CA 1.462 27 residues pruned to eliminate duplicates Z: 48 54.749 2.282 1.220 0.668 0.894 0.617 CB 1.511 48 residues pruned to eliminate duplicates Z: 14 23.007 1.869 0.808 0.886 1.000 0.769 CA 1.363 14 residues pruned to eliminate duplicates Z: 9 5.961 1.820 0.740 0.196 0.625 0.375 N 1.529 9 residues pruned to eliminate duplicates Z: 11 13.169 2.311 0.848 0.503 0.800 0.600 CB 1.216 11 residues pruned to eliminate duplicates Z: 26 46.270 2.115 1.125 0.916 1.000 0.760 CB 1.454 26 residues pruned to eliminate duplicates Z: 25 22.338 2.033 0.621 0.676 0.875 0.583 CB 1.345 25 residues pruned to eliminate duplicates Z: 26 47.875 2.138 1.176 0.945 1.000 0.920 CB 1.424 26 residues pruned to eliminate duplicates Z: 24 40.546 2.128 0.765 0.958 1.000 0.957 CA 1.544 24 residues pruned to eliminate duplicates Z: 24 42.532 2.135 0.912 0.946 1.000 0.826 CB 1.503 24 residues pruned to eliminate duplicates Z: 16 19.852 1.826 0.747 0.869 0.933 0.667 CA 1.258 16 residues pruned to eliminate duplicates Z: 27 49.479 2.193 1.125 0.890 1.000 0.769 CA 1.498 27 residues pruned to eliminate duplicates Z: 20 30.986 2.187 1.347 0.563 0.895 0.632 CB 1.455 20 residues pruned to eliminate duplicates Z: 17 18.625 1.880 0.725 0.564 0.875 0.688 CB 1.542 17 residues pruned to eliminate duplicates Z: 37 50.792 2.190 1.225 0.778 0.944 0.778 CB 1.440 37 residues pruned to eliminate duplicates Z: 25 19.239 2.062 0.497 0.523 0.833 0.458 CB 1.493 25 residues pruned to eliminate duplicates Z: 18 17.242 1.977 0.421 0.728 0.824 0.529 CA 1.472 18 residues pruned to eliminate duplicates Z: 11 9.693 1.699 0.671 0.371 1.000 0.700 CB 1.239 Z: 10 9.925 2.109 0.943 0.371 0.778 0.444 CB 1.192 10 residues pruned to eliminate duplicates Z: 14 9.512 1.806 0.705 0.541 0.769 0.692 CB 1.070 Z: 27 40.595 2.074 0.797 0.909 1.000 0.846 CA 1.516 27 residues pruned to eliminate duplicates Z: 24 52.716 2.187 1.252 0.959 1.000 0.739 CB 1.530 24 residues pruned to eliminate duplicates Z: 10 14.428 2.285 0.517 0.573 0.889 0.444 CB 1.454 10 residues pruned to eliminate duplicates Z: 40 26.690 2.036 0.802 0.519 0.872 0.590 CB 1.311 40 residues pruned to eliminate duplicates Z: 23 24.975 2.174 0.915 0.549 0.818 0.591 CB 1.490 24 residues pruned to eliminate duplicates Z: 25 53.523 2.274 1.259 0.925 0.958 0.750 CB 1.557 25 residues pruned to eliminate duplicates Z: 33 26.852 2.027 0.852 0.540 0.781 0.500 CB 1.556 33 residues pruned to eliminate duplicates Z: 68 47.724 2.083 1.179 0.577 0.851 0.642 CB 1.403 18 residues pruned to eliminate duplicates Z: 26 47.811 2.109 1.105 0.945 1.000 0.840 CB 1.491 26 residues pruned to eliminate duplicates Z: 21 12.421 1.909 0.713 0.410 0.750 0.550 CB 1.244 21 residues pruned to eliminate duplicates Z: 26 41.462 2.124 0.867 0.920 1.000 0.920 CB 1.473 26 residues pruned to eliminate duplicates Z: 25 55.521 2.137 1.474 0.929 0.958 0.833 CB 1.565 25 residues pruned to eliminate duplicates Z: 27 38.482 2.074 0.899 0.913 0.962 0.846 CB 1.410 27 residues pruned to eliminate duplicates Z: 54 45.186 2.089 0.984 0.660 0.925 0.698 CB 1.396 54 residues pruned to eliminate duplicates Z: 9 16.037 2.068 1.116 0.553 0.875 0.875 CB 1.405 9 residues pruned to eliminate duplicates Z: 24 22.485 2.035 0.987 0.555 0.783 0.565 CB 1.405 24 residues pruned to eliminate duplicates Z: 26 55.679 2.134 1.487 0.905 0.960 0.520 CB 1.556 26 residues pruned to eliminate duplicates Z: 58 43.323 2.012 0.944 0.637 0.912 0.702 CB 1.414 58 residues pruned to eliminate duplicates Z: 26 53.982 2.125 1.290 0.925 1.000 0.760 CA 1.556 26 residues pruned to eliminate duplicates Z: 27 51.817 2.074 1.515 0.914 0.962 0.846 CB 1.433 27 residues pruned to eliminate duplicates Z: 15 12.982 2.017 0.474 0.502 0.857 0.429 CA 1.359 15 residues pruned to eliminate duplicates Z: 34 50.143 2.255 1.184 0.777 0.970 0.576 CB 1.432 34 residues pruned to eliminate duplicates Z: 6 5.574 1.929 -0.044 0.514 1.000 0.600 CB 1.332 Z: 25 33.402 2.233 0.762 0.720 0.875 0.708 CB 1.623 25 residues pruned to eliminate duplicates Z: 23 63.452 2.246 1.545 0.945 1.000 0.682 CB 1.638 23 residues pruned to eliminate duplicates Z: 15 15.667 1.864 0.320 0.850 1.000 0.857 CA 1.260 15 residues pruned to eliminate duplicates Z: 13 22.217 2.054 0.684 0.850 0.917 0.583 CA 1.498 13 residues pruned to eliminate duplicates Z: 15 17.844 1.863 0.459 0.867 1.000 0.714 CA 1.284 15 residues pruned to eliminate duplicates Z: 25 53.784 2.260 1.276 0.924 0.958 0.750 CB 1.564 25 residues pruned to eliminate duplicates Z: 27 51.044 2.167 1.132 0.902 1.000 0.846 CA 1.546 27 residues pruned to eliminate duplicates Z: 13 17.916 1.865 0.627 0.882 0.917 0.750 CB 1.345 13 residues pruned to eliminate duplicates Z: 54 41.277 2.050 0.949 0.671 0.887 0.679 CB 1.367 54 residues pruned to eliminate duplicates Z: 12 21.477 1.990 0.835 0.909 0.909 0.364 CB 1.384 12 residues pruned to eliminate duplicates Z: 11 10.262 1.888 0.491 0.541 0.800 0.500 CB 1.385 11 residues pruned to eliminate duplicates Z: 26 46.043 2.091 1.145 0.930 1.000 0.640 CB 1.435 26 residues pruned to eliminate duplicates Z: 13 19.372 1.893 0.664 0.856 0.917 0.833 CA 1.429 13 residues pruned to eliminate duplicates Z: 12 10.269 1.926 0.550 0.520 0.909 0.545 CB 1.118 Z: 18 17.567 2.133 0.846 0.409 0.824 0.588 CB 1.445 18 residues pruned to eliminate duplicates Z: 7 5.719 1.433 0.228 0.656 1.000 0.500 N 1.148 Z: 15 11.690 1.736 0.762 0.545 0.857 0.643 CB 1.140 12 residues pruned to eliminate duplicates Z: 24 51.686 2.164 1.253 0.954 1.000 0.739 CB 1.520 24 residues pruned to eliminate duplicates Z: 17 8.682 1.796 0.784 0.381 0.688 0.312 CB 1.118 17 residues pruned to eliminate duplicates Z: 26 44.066 2.085 1.093 0.922 1.000 0.920 CB 1.420 26 residues pruned to eliminate duplicates Z: 19 17.350 1.917 1.302 0.549 0.778 0.500 CB 1.136 19 residues pruned to eliminate duplicates Z: 58 42.507 2.056 0.969 0.604 0.895 0.754 CB 1.408 58 residues pruned to eliminate duplicates Z: 12 28.682 2.191 1.517 0.703 0.909 0.727 CB 1.433 13 residues pruned to eliminate duplicates Z: 33 22.142 2.029 0.423 0.540 0.875 0.594 CB 1.490 33 residues pruned to eliminate duplicates Z: 26 43.869 2.120 1.062 0.945 0.960 0.800 CB 1.447 26 residues pruned to eliminate duplicates Z: 42 29.868 2.025 0.813 0.548 0.854 0.317 CB 1.421 41 residues pruned to eliminate duplicates Z: 7 12.200 2.035 0.828 0.698 0.833 0.833 CA 1.341 7 residues pruned to eliminate duplicates Z: 12 14.312 1.837 0.820 0.588 0.818 0.727 CB 1.450 11 residues pruned to eliminate duplicates Z: 37 26.232 1.992 0.961 0.483 0.806 0.500 CB 1.413 37 residues pruned to eliminate duplicates Z: 52 47.866 2.183 1.104 0.607 0.902 0.549 CB 1.462 52 residues pruned to eliminate duplicates Z: 16 20.878 1.878 0.685 0.859 1.000 0.600 CA 1.253 16 residues pruned to eliminate duplicates Z: 7 5.894 1.947 -0.182 0.649 0.833 0.667 CB 1.577 Z: 8 3.119 1.837 -0.193 0.274 0.857 0.429 CB 1.199 Z: 26 48.568 2.137 1.169 0.952 1.000 0.880 CB 1.443 26 residues pruned to eliminate duplicates Z: 15 8.220 1.794 0.381 0.335 0.857 0.571 CB 1.239 15 residues pruned to eliminate duplicates Z: 27 40.147 2.082 1.008 0.897 0.923 0.731 CB 1.461 27 residues pruned to eliminate duplicates Z: 26 53.090 2.238 1.255 0.886 0.960 0.720 CB 1.582 26 residues pruned to eliminate duplicates Z: 6 3.374 1.822 -0.467 0.705 1.000 0.600 CB 1.289 Z: 7 10.513 2.100 0.895 0.412 1.000 0.833 CB 1.183 7 residues pruned to eliminate duplicates Z: 6 3.350 1.788 -0.209 0.607 0.800 0.600 CB 1.196 Z: 27 44.614 2.091 1.263 0.878 0.923 0.538 CB 1.453 27 residues pruned to eliminate duplicates Z: 7 3.266 1.598 -0.108 0.481 0.833 0.333 N 1.145 Z: 14 18.189 1.918 0.657 0.827 0.923 0.692 CA 1.295 14 residues pruned to eliminate duplicates Z: 8 9.800 1.817 0.902 0.420 1.000 0.429 CB 1.165 8 residues pruned to eliminate duplicates Z: 25 44.834 2.225 1.090 0.910 0.917 0.667 CB 1.523 25 residues pruned to eliminate duplicates Z: 33 31.042 2.147 0.631 0.619 0.875 0.656 CA 1.601 33 residues pruned to eliminate duplicates Z: 31 54.421 2.215 1.217 0.810 0.967 0.833 CB 1.597 31 residues pruned to eliminate duplicates Z: 47 59.913 2.235 1.306 0.707 0.935 0.543 CB 1.520 47 residues pruned to eliminate duplicates Z: 24 47.920 2.265 1.078 0.921 0.957 0.913 CB 1.562 24 residues pruned to eliminate duplicates Z: 23 22.569 2.112 1.055 0.527 0.773 0.500 CB 1.397 23 residues pruned to eliminate duplicates Z: 79 58.706 2.178 1.189 0.612 0.859 0.564 CB 1.459 76 residues pruned to eliminate duplicates Z: 24 17.118 1.929 0.823 0.455 0.826 0.435 CB 1.287 24 residues pruned to eliminate duplicates Z: 66 49.820 2.160 0.955 0.626 0.892 0.692 CB 1.456 66 residues pruned to eliminate duplicates Z: 24 22.429 2.067 0.645 0.664 0.870 0.609 CB 1.360 24 residues pruned to eliminate duplicates Z: 12 11.413 1.963 0.235 0.550 1.000 0.818 CB 1.352 12 residues pruned to eliminate duplicates Z: 24 55.943 2.246 1.402 0.928 1.000 0.739 CB 1.514 24 residues pruned to eliminate duplicates Z: 7 18.486 2.146 1.126 0.882 1.000 1.000 CB 1.197 Z: 13 18.959 1.851 0.705 0.878 0.917 0.750 CA 1.373 13 residues pruned to eliminate duplicates Z: 7 5.674 1.882 0.037 0.376 0.833 0.833 C 1.625 5 residues pruned to eliminate duplicates Z: 20 22.801 2.043 1.034 0.444 0.895 0.421 CB 1.490 13 residues pruned to eliminate duplicates Z: 26 31.168 2.147 1.089 0.492 0.920 0.720 CB 1.524 26 residues pruned to eliminate duplicates Z: 17 16.512 2.008 0.963 0.511 0.875 0.438 CB 1.184 17 residues pruned to eliminate duplicates Z: 27 46.145 2.089 1.219 0.929 0.962 0.731 CB 1.420 27 residues pruned to eliminate duplicates Z: 11 14.639 1.851 0.887 0.652 0.800 0.700 CB 1.438 11 residues pruned to eliminate duplicates Z: 9 8.953 2.074 0.360 0.580 0.750 0.625 CB 1.385 9 residues pruned to eliminate duplicates Z: 6 2.291 1.401 0.151 0.438 0.800 0.400 CB 0.847 Z: 27 42.082 2.081 1.105 0.920 0.962 0.692 CB 1.379 27 residues pruned to eliminate duplicates Z: 38 40.304 2.061 0.974 0.605 0.973 0.541 CB 1.515 38 residues pruned to eliminate duplicates Z: 11 10.580 1.891 0.490 0.535 0.800 0.500 CB 1.433 Z: 8 5.371 1.789 1.089 0.494 0.714 0.714 CB 0.765 8 residues pruned to eliminate duplicates Z: 24 48.176 2.143 1.119 0.946 1.000 0.870 CB 1.531 24 residues pruned to eliminate duplicates Z: 16 5.608 1.845 0.418 0.297 0.667 0.467 CB 1.042 16 residues pruned to eliminate duplicates Z: 14 20.883 1.935 0.476 0.919 1.000 0.923 CA 1.430 14 residues pruned to eliminate duplicates Z: 20 9.771 1.741 0.342 0.383 0.789 0.368 CB 1.375 20 residues pruned to eliminate duplicates Z: 12 12.224 1.857 0.345 0.531 0.909 0.455 CB 1.573 12 residues pruned to eliminate duplicates Z: 27 39.306 2.053 0.958 0.915 0.962 0.654 CB 1.409 27 residues pruned to eliminate duplicates Z: 23 19.184 1.904 0.843 0.617 0.818 0.682 CB 1.274 23 residues pruned to eliminate duplicates Z: 9 13.345 1.901 0.772 0.572 0.875 0.750 CB 1.492 14 residues pruned to eliminate duplicates Z: 13 9.895 1.814 0.690 0.474 0.833 0.583 CB 1.148 13 residues pruned to eliminate duplicates Z: 27 41.535 2.024 1.071 0.895 1.000 0.769 CB 1.393 27 residues pruned to eliminate duplicates Z: 27 32.785 2.046 0.595 0.907 1.000 0.923 CB 1.400 27 residues pruned to eliminate duplicates Z: 9 2.493 1.471 0.183 0.304 0.625 0.250 CA 1.009 9 residues pruned to eliminate duplicates Z: 7 4.785 1.883 0.000 0.538 0.833 0.500 CB 1.199 6 residues pruned to eliminate duplicates Z: 71 43.645 1.978 0.988 0.631 0.900 0.586 CB 1.302 69 residues pruned to eliminate duplicates Z: 8 8.077 2.063 0.607 0.325 0.857 0.714 CB 1.303 8 residues pruned to eliminate duplicates Z: 15 19.540 1.988 0.590 0.658 0.857 0.857 CB 1.665 Z: 13 10.581 1.915 0.663 0.399 0.750 0.417 CB 1.424 13 residues pruned to eliminate duplicates Z: 14 34.709 2.204 0.801 0.940 1.000 0.923 CB 1.684 14 residues pruned to eliminate duplicates Z: 26 46.223 2.124 1.237 0.901 0.920 0.720 CB 1.510 26 residues pruned to eliminate duplicates Z: 27 40.994 2.070 0.923 0.921 1.000 0.769 CB 1.421 27 residues pruned to eliminate duplicates Z: 15 20.505 1.952 0.583 0.824 1.000 0.714 CA 1.339 15 residues pruned to eliminate duplicates Z: 15 21.220 1.889 0.718 0.883 0.929 0.714 CA 1.361 15 residues pruned to eliminate duplicates Z: 21 13.096 1.798 0.794 0.334 0.850 0.550 CB 1.280 14 residues pruned to eliminate duplicates Z: 73 54.379 2.141 1.152 0.581 0.931 0.556 CB 1.383 73 residues pruned to eliminate duplicates Z: 27 50.228 2.171 1.182 0.898 1.000 0.462 CB 1.486 27 residues pruned to eliminate duplicates Z: 12 16.247 1.993 0.778 0.825 0.727 0.364 CA 1.435 12 residues pruned to eliminate duplicates Z: 25 46.104 2.129 1.120 0.950 1.000 0.708 CB 1.438 25 residues pruned to eliminate duplicates Z: 27 43.419 2.077 1.082 0.921 1.000 0.769 CB 1.385 27 residues pruned to eliminate duplicates Z: 13 13.660 1.785 0.727 0.495 0.917 0.583 CA 1.403 13 residues pruned to eliminate duplicates Z: 17 18.489 1.967 1.029 0.520 0.938 0.438 CB 1.211 17 residues pruned to eliminate duplicates Z: 10 7.381 1.880 0.752 0.475 0.667 0.556 CB 1.150 10 residues pruned to eliminate duplicates Z: 26 45.644 2.114 1.080 0.955 1.000 0.760 CB 1.427 26 residues pruned to eliminate duplicates 6 0.859 1.610 0.553 0.100 0.800 0.200 CB 0.320 ? Z: 23 28.102 2.076 1.202 0.545 0.818 0.682 CB 1.533 23 residues pruned to eliminate duplicates Z: 14 10.219 1.894 0.251 0.587 0.846 0.692 CB 1.301 14 residues pruned to eliminate duplicates Z: 39 44.571 2.150 1.111 0.685 0.895 0.605 CB 1.503 39 residues pruned to eliminate duplicates Z: 7 3.950 1.778 0.048 0.524 0.667 0.500 CB 1.268 7 residues pruned to eliminate duplicates Z: 24 23.667 2.060 1.090 0.398 0.913 0.565 CB 1.398 24 residues pruned to eliminate duplicates Z: 49 58.938 2.258 1.192 0.700 0.938 0.729 CB 1.528 49 residues pruned to eliminate duplicates Z: 7 10.207 1.744 0.690 0.613 1.000 0.500 CB 1.271 Z: 26 48.568 2.107 1.323 0.921 0.960 0.480 CB 1.455 26 residues pruned to eliminate duplicates Z: 7 3.618 1.359 0.585 0.577 0.667 0.667 CB 0.955 7 residues pruned to eliminate duplicates Z: 25 51.931 2.275 1.184 0.917 1.000 0.625 CB 1.506 25 residues pruned to eliminate duplicates Z: 71 55.960 2.150 1.205 0.661 0.886 0.586 CB 1.372 67 residues pruned to eliminate duplicates Z: 10 17.146 1.975 1.553 0.576 0.889 0.556 CB 1.185 10 residues pruned to eliminate duplicates Z: 14 18.940 2.020 0.486 0.849 0.923 0.769 CA 1.405 14 residues pruned to eliminate duplicates Z: 13 10.725 1.661 0.935 0.537 0.833 0.583 CB 1.115 8 residues pruned to eliminate duplicates Z: 18 7.100 1.872 0.308 0.397 0.765 0.529 CB 1.025 24 residues pruned to eliminate duplicates Z: 26 53.656 2.185 1.307 0.903 1.000 0.800 CA 1.518 26 residues pruned to eliminate duplicates Z: 15 13.902 2.130 0.764 0.496 0.857 0.571 CB 1.158 26 residues pruned to eliminate duplicates Z: 52 51.554 2.165 1.149 0.665 0.941 0.706 CB 1.415 52 residues pruned to eliminate duplicates Z: 67 57.717 2.184 1.174 0.642 0.909 0.636 CB 1.441 67 residues pruned to eliminate duplicates Z: 22 14.605 1.887 0.770 0.420 0.810 0.333 CB 1.282 22 residues pruned to eliminate duplicates Z: 14 17.942 1.908 0.464 0.874 0.923 0.846 CA 1.405 14 residues pruned to eliminate duplicates Z: 53 47.141 2.183 0.952 0.658 0.885 0.654 CB 1.498 53 residues pruned to eliminate duplicates Z: 26 44.444 2.117 1.075 0.945 0.960 0.680 CB 1.458 26 residues pruned to eliminate duplicates Z: 27 41.627 2.197 1.055 0.866 0.885 0.692 CA 1.497 27 residues pruned to eliminate duplicates Z: 6 7.865 1.926 -0.192 0.806 1.000 0.800 C 1.730 6 residues pruned to eliminate duplicates Z: 8 6.209 1.727 -0.048 0.677 1.000 1.000 CB 1.214 Z: 25 47.568 2.166 1.189 0.899 0.958 0.542 CB 1.528 25 residues pruned to eliminate duplicates Z: 27 40.880 2.012 1.148 0.900 0.962 0.769 CB 1.378 27 residues pruned to eliminate duplicates Z: 13 27.352 2.016 1.029 0.767 0.917 0.750 CB 1.661 13 residues pruned to eliminate duplicates Z: 9 3.602 1.684 0.470 0.254 0.750 0.500 CB 0.909 Z: 53 44.413 2.074 0.928 0.681 0.923 0.673 CB 1.413 72 residues pruned to eliminate duplicates Z: 42 44.963 2.090 1.128 0.735 0.927 0.683 CB 1.380 42 residues pruned to eliminate duplicates Z: 27 44.772 2.064 1.198 0.867 0.923 0.808 CA 1.534 27 residues pruned to eliminate duplicates Z: 6 4.120 1.494 -0.101 0.803 1.000 0.600 CB 1.053 6 residues pruned to eliminate duplicates Z: 18 10.287 1.878 0.668 0.276 0.824 0.412 CB 1.246 18 residues pruned to eliminate duplicates Z: 33 31.783 2.053 0.952 0.628 0.875 0.500 CB 1.421 33 residues pruned to eliminate duplicates Z: 52 47.977 2.090 1.065 0.669 0.922 0.608 CB 1.445 52 residues pruned to eliminate duplicates Z: 23 28.954 2.137 0.715 0.692 0.909 0.636 CA 1.554 23 residues pruned to eliminate duplicates Z: 10 9.390 1.707 0.528 0.406 0.889 0.556 N 1.490 10 residues pruned to eliminate duplicates Z: 25 47.171 2.143 1.159 0.938 1.000 0.750 CB 1.448 25 residues pruned to eliminate duplicates Z: 15 22.903 1.964 0.715 0.888 1.000 0.643 CA 1.310 Z: 16 18.994 1.872 0.666 0.846 1.000 0.733 CA 1.169 16 residues pruned to eliminate duplicates Z: 15 20.988 1.832 0.647 0.888 1.000 0.643 CB 1.339 15 residues pruned to eliminate duplicates Z: 71 44.641 2.002 0.925 0.616 0.929 0.657 CB 1.336 71 residues pruned to eliminate duplicates Z: 48 59.633 2.270 1.280 0.705 0.936 0.723 CB 1.489 48 residues pruned to eliminate duplicates Z: 6 8.021 1.923 0.240 0.638 0.800 0.800 N 1.652 Z: 84 52.496 2.087 0.892 0.615 0.880 0.639 CB 1.487 84 residues pruned to eliminate duplicates Z: 6 2.463 1.189 0.527 0.394 0.800 0.600 CB 0.848 6 residues pruned to eliminate duplicates Z: 17 28.761 1.978 1.101 0.848 0.875 0.438 CA 1.468 16 residues pruned to eliminate duplicates Z: 11 7.135 1.932 0.482 0.376 0.700 0.400 CB 1.285 11 residues pruned to eliminate duplicates Z: 13 21.141 1.917 0.689 0.890 1.000 0.750 CB 1.356 13 residues pruned to eliminate duplicates Z: 54 55.911 2.221 1.197 0.668 0.925 0.717 CB 1.457 54 residues pruned to eliminate duplicates Z: 51 49.687 2.173 1.181 0.650 0.900 0.480 CB 1.433 51 residues pruned to eliminate duplicates Z: 25 17.558 2.014 0.509 0.581 0.833 0.500 CB 1.308 13 residues pruned to eliminate duplicates Z: 51 54.306 2.175 1.132 0.689 0.920 0.680 CB 1.515 51 residues pruned to eliminate duplicates Z: 9 6.064 1.687 0.054 0.486 0.875 0.500 CB 1.398 9 residues pruned to eliminate duplicates Z: 25 32.741 2.102 0.522 0.955 1.000 1.000 CB 1.436 25 residues pruned to eliminate duplicates Z: 22 9.423 1.832 0.335 0.288 0.810 0.381 CB 1.317 32 residues pruned to eliminate duplicates Z: 26 48.096 2.049 1.255 0.945 0.960 0.520 CB 1.501 26 residues pruned to eliminate duplicates Z: 8 8.760 1.798 0.670 0.545 0.714 0.571 CB 1.477 Z: 7 3.793 1.645 -0.002 0.535 0.833 0.667 N 1.094 Z: 27 49.044 2.186 1.302 0.889 0.923 0.538 CB 1.491 27 residues pruned to eliminate duplicates Z: 16 14.340 2.050 0.810 0.361 0.800 0.533 CB 1.449 16 residues pruned to eliminate duplicates Z: 6 11.616 1.610 0.765 0.869 1.000 1.000 CB 1.335 6 residues pruned to eliminate duplicates Z: 7 8.548 1.739 1.252 0.522 0.667 0.500 C 1.308 7 residues pruned to eliminate duplicates Z: 8 20.320 2.162 0.886 0.799 1.000 0.857 CB 1.450 7 residues pruned to eliminate duplicates Z: 63 41.989 2.048 0.914 0.607 0.903 0.629 CB 1.361 63 residues pruned to eliminate duplicates Z: 13 15.423 1.955 0.995 0.554 0.750 0.500 CB 1.445 13 residues pruned to eliminate duplicates Z: 26 27.116 2.105 0.768 0.668 0.880 0.720 CB 1.418 26 residues pruned to eliminate duplicates Z: 7 2.585 1.589 -0.456 0.699 0.833 0.667 O 1.222 Z: 15 22.309 1.975 0.758 0.859 1.000 0.786 CA 1.264 15 residues pruned to eliminate duplicates Z: 24 27.546 2.063 0.665 0.662 0.957 0.609 CA 1.505 24 residues pruned to eliminate duplicates Z: 21 20.618 2.068 0.905 0.611 0.850 0.600 CB 1.239 21 residues pruned to eliminate duplicates Z: 27 24.125 2.124 0.622 0.628 0.808 0.692 CA 1.507 27 residues pruned to eliminate duplicates Z: 24 47.328 2.119 1.328 0.939 1.000 0.304 CB 1.390 24 residues pruned to eliminate duplicates Z: 7 10.929 1.737 0.923 0.573 0.833 0.833 CA 1.494 7 residues pruned to eliminate duplicates Z: 6 2.480 1.352 0.136 0.499 1.000 0.800 N 0.723 6 residues pruned to eliminate duplicates Z: 37 22.916 1.990 0.835 0.514 0.722 0.528 CB 1.429 39 residues pruned to eliminate duplicates Z: 30 18.063 1.906 0.834 0.367 0.828 0.517 CB 1.337 30 residues pruned to eliminate duplicates Z: 10 6.809 1.685 -0.033 0.632 0.889 0.667 CB 1.384 8 residues pruned to eliminate duplicates Z: 11 5.656 1.560 0.114 0.401 0.900 0.400 CB 1.269 Z: 13 14.574 2.151 1.339 0.517 0.833 0.750 CB 0.987 13 residues pruned to eliminate duplicates Z: 9 11.965 1.920 0.768 0.694 0.875 0.875 N 1.193 Z: 17 8.612 1.766 0.374 0.435 0.812 0.562 CA 1.168 17 residues pruned to eliminate duplicates Z: 27 37.748 2.054 0.744 0.914 1.000 0.846 CB 1.461 27 residues pruned to eliminate duplicates Z: 12 27.133 2.142 1.261 0.583 1.000 0.455 CB 1.559 11 residues pruned to eliminate duplicates Z: 9 7.102 1.905 0.297 0.525 0.875 0.750 CB 1.133 8 residues pruned to eliminate duplicates Z: 19 24.332 2.089 0.810 0.724 0.833 0.778 CA 1.488 19 residues pruned to eliminate duplicates Z: 24 16.159 1.925 0.527 0.472 0.783 0.565 CB 1.507 24 residues pruned to eliminate duplicates Z: 70 53.693 2.176 1.096 0.636 0.884 0.623 CB 1.412 70 residues pruned to eliminate duplicates Z: 26 50.435 2.207 1.292 0.888 0.960 0.800 CA 1.496 26 residues pruned to eliminate duplicates Z: 18 13.195 1.826 0.834 0.463 0.882 0.588 CB 1.125 18 residues pruned to eliminate duplicates Z: 48 58.403 2.213 1.283 0.696 0.915 0.617 CB 1.541 48 residues pruned to eliminate duplicates Z: 8 5.447 1.799 -0.194 0.755 0.857 0.857 CB 1.320 6 residues pruned to eliminate duplicates Z: 57 45.085 2.094 1.249 0.590 0.875 0.589 CB 1.341 57 residues pruned to eliminate duplicates Z: 9 2.245 1.530 0.245 0.275 0.625 0.375 CB 0.860 7 residues pruned to eliminate duplicates Z: 11 10.747 1.884 0.846 0.631 0.800 0.600 CB 1.080 11 residues pruned to eliminate duplicates Z: 10 4.409 1.634 -0.101 0.461 0.778 0.444 CB 1.339 9 residues pruned to eliminate duplicates Z: 8 3.908 1.368 0.538 0.531 0.857 0.714 N 0.794 Z: 48 43.312 2.169 0.921 0.619 0.894 0.681 CB 1.516 75 residues pruned to eliminate duplicates Z: 24 45.426 2.121 1.062 0.933 1.000 0.826 CB 1.512 24 residues pruned to eliminate duplicates Z: 9 6.858 1.893 0.608 0.384 0.750 0.500 CB 1.201 9 residues pruned to eliminate duplicates Z: 6 2.414 1.032 0.319 0.595 1.000 0.600 CB 0.724 5 residues pruned to eliminate duplicates Z: 16 13.601 1.830 0.390 0.576 0.933 0.867 CB 1.375 Z: 7 5.611 1.884 0.529 0.353 0.667 0.500 CB 1.398 3 residues pruned to eliminate duplicates Z: 25 57.524 2.185 1.438 0.951 1.000 0.583 CB 1.519 25 residues pruned to eliminate duplicates Z: 7 9.302 1.915 1.138 0.580 0.833 0.833 CB 1.031 8 residues pruned to eliminate duplicates Z: 13 13.795 1.876 0.724 0.584 0.833 0.667 CB 1.362 15 residues pruned to eliminate duplicates Z: 16 17.609 1.891 0.515 0.822 1.000 0.667 CA 1.201 16 residues pruned to eliminate duplicates Z: 15 22.699 1.965 0.704 0.874 1.000 0.857 CA 1.318 15 residues pruned to eliminate duplicates Z: 9 4.897 1.791 -0.030 0.315 0.875 0.625 CB 1.397 6 residues pruned to eliminate duplicates Z: 27 42.732 2.065 1.120 0.916 1.000 0.654 CB 1.353 27 residues pruned to eliminate duplicates Z: 39 50.274 2.203 1.015 0.767 0.974 0.763 CB 1.490 39 residues pruned to eliminate duplicates Z: 13 26.261 2.070 1.127 0.912 0.917 0.333 CB 1.331 13 residues pruned to eliminate duplicates Z: 9 6.069 2.069 0.564 0.380 0.625 0.375 CB 1.206 9 residues pruned to eliminate duplicates Z: 9 9.470 1.906 0.162 0.580 0.875 0.375 N 1.601 9 residues pruned to eliminate duplicates Z: 47 59.698 2.235 1.356 0.707 0.935 0.652 CB 1.482 47 residues pruned to eliminate duplicates Z: 7 8.332 1.492 0.895 0.755 1.000 0.833 CA 0.959 Z: 8 6.553 1.814 -0.207 0.878 1.000 1.000 CB 1.250 Z: 7 6.955 1.819 -0.166 0.762 1.000 0.833 CB 1.483 8 residues pruned to eliminate duplicates Z: 26 50.894 2.136 1.203 0.943 1.000 0.560 CB 1.499 26 residues pruned to eliminate duplicates Z: 71 48.328 2.136 1.213 0.519 0.843 0.457 CB 1.422 62 residues pruned to eliminate duplicates 8 1.526 1.447 0.418 0.236 0.571 0.571 N 0.669 ? Z: 8 27.464 2.133 1.134 0.765 1.000 0.714 CA 1.803 8 residues pruned to eliminate duplicates Z: 24 51.847 2.238 1.290 0.941 1.000 0.609 CB 1.463 24 residues pruned to eliminate duplicates Z: 16 20.356 1.869 0.673 0.867 1.000 0.533 CA 1.229 16 residues pruned to eliminate duplicates Z: 28 45.065 2.049 1.101 0.902 1.000 0.889 CB 1.437 28 residues pruned to eliminate duplicates Z: 9 5.855 1.592 0.118 0.657 0.875 0.625 CA 1.148 8 residues pruned to eliminate duplicates Z: 10 7.068 1.595 0.191 0.503 0.889 0.556 CA 1.391 Z: 8 2.044 1.383 0.514 0.262 0.714 0.286 C 0.678 Z: 6 3.711 1.554 0.089 0.473 0.800 0.600 C 1.260 Z: 9 5.675 1.752 0.555 0.492 0.750 0.375 N 0.990 10 residues pruned to eliminate duplicates Z: 11 5.800 1.795 0.366 0.367 0.700 0.400 CB 1.232 11 residues pruned to eliminate duplicates Z: 12 17.696 2.116 1.019 0.443 0.818 0.636 CB 1.620 12 residues pruned to eliminate duplicates Z: 10 17.146 1.972 1.418 0.814 0.889 0.778 CB 1.026 Z: 10 16.345 1.831 0.929 0.622 0.889 0.778 CA 1.546 10 residues pruned to eliminate duplicates Z: 15 23.910 1.940 0.742 0.867 1.000 0.786 CA 1.383 15 residues pruned to eliminate duplicates Z: 7 4.267 1.892 0.318 0.268 0.667 0.333 N 1.365 Z: 26 55.596 2.224 1.360 0.929 0.960 0.640 CB 1.545 26 residues pruned to eliminate duplicates Z: 12 14.144 1.825 0.673 0.616 0.818 0.727 CB 1.530 12 residues pruned to eliminate duplicates Z: 21 17.383 1.905 0.595 0.477 0.850 0.450 CB 1.540 21 residues pruned to eliminate duplicates Z: 16 20.702 1.793 0.779 0.841 0.933 0.667 CA 1.338 14 residues pruned to eliminate duplicates Z: 11 26.844 2.135 1.196 0.738 0.900 0.800 CA 1.625 11 residues pruned to eliminate duplicates Z: 16 16.367 1.840 0.764 0.569 0.800 0.600 CA 1.522 16 residues pruned to eliminate duplicates Z: 13 10.744 1.890 0.681 0.559 0.917 0.417 CB 1.005 13 residues pruned to eliminate duplicates Z: 11 7.236 1.649 0.348 0.445 0.900 0.500 CB 1.211 11 residues pruned to eliminate duplicates Z: 11 25.315 2.119 0.823 0.921 1.000 0.600 CA 1.458 Z: 18 22.820 2.208 0.603 0.681 0.882 0.765 CA 1.501 18 residues pruned to eliminate duplicates Z: 15 14.595 1.797 0.425 0.811 0.929 0.571 CB 1.250 15 residues pruned to eliminate duplicates Z: 14 4.437 1.596 1.180 0.157 0.615 0.385 CB 0.875 4 residues pruned to eliminate duplicates Z: 12 6.592 1.687 0.713 0.348 0.636 0.364 N 1.275 12 residues pruned to eliminate duplicates Z: 8 13.325 1.989 0.734 0.616 1.000 0.714 N 1.308 7 residues pruned to eliminate duplicates Z: 10 4.900 1.584 -0.232 0.801 0.889 0.889 CB 1.162 10 residues pruned to eliminate duplicates Z: 9 4.035 1.772 0.029 0.509 0.875 0.625 CB 0.887 Z: 27 39.640 2.054 0.931 0.899 1.000 0.808 CB 1.401 27 residues pruned to eliminate duplicates Z: 13 8.206 1.755 0.612 0.345 0.833 0.417 CB 1.190 13 residues pruned to eliminate duplicates Z: 26 43.648 2.138 1.244 0.917 0.960 0.440 CB 1.338 26 residues pruned to eliminate duplicates Z: 9 4.501 1.462 0.169 0.570 0.875 0.625 CB 0.994 Z: 17 16.887 2.047 0.848 0.476 0.750 0.562 CB 1.525 17 residues pruned to eliminate duplicates Z: 25 39.691 2.194 0.909 0.888 0.958 0.583 CB 1.454 25 residues pruned to eliminate duplicates Z: 9 4.473 1.705 0.294 0.393 0.750 0.500 CB 1.071 9 residues pruned to eliminate duplicates Z: 10 3.181 1.674 0.360 0.356 0.778 0.333 CB 0.700 10 residues pruned to eliminate duplicates Z: 15 10.499 1.775 0.775 0.532 0.714 0.571 CB 1.208 15 residues pruned to eliminate duplicates Z: 33 29.355 2.091 0.919 0.466 0.875 0.656 CB 1.530 33 residues pruned to eliminate duplicates Z: 40 50.317 2.056 1.353 0.738 0.923 0.487 CB 1.458 40 residues pruned to eliminate duplicates Z: 23 14.821 1.858 0.656 0.413 0.864 0.682 CB 1.302 23 residues pruned to eliminate duplicates Z: 26 36.729 2.070 0.793 0.906 1.000 0.880 CB 1.407 26 residues pruned to eliminate duplicates Z: 81 52.093 2.162 1.049 0.580 0.875 0.613 CB 1.391 84 residues pruned to eliminate duplicates Z: 11 10.760 1.898 0.782 0.402 0.800 0.400 CB 1.394 11 residues pruned to eliminate duplicates Z: 39 50.724 2.130 1.114 0.729 0.974 0.711 CB 1.526 39 residues pruned to eliminate duplicates Z: 31 23.748 2.069 1.068 0.488 0.867 0.400 CB 1.183 32 residues pruned to eliminate duplicates Z: 10 23.380 2.189 1.260 0.510 1.000 0.778 CA 1.559 10 residues pruned to eliminate duplicates Z: 9 5.791 1.789 -0.080 0.579 0.875 0.875 CB 1.318 9 residues pruned to eliminate duplicates Z: 12 5.524 1.633 0.317 0.337 0.727 0.636 N 1.271 8 residues pruned to eliminate duplicates Z: 9 3.841 1.737 -0.346 0.655 0.875 0.875 CB 1.183 7 residues pruned to eliminate duplicates Z: 7 3.202 1.552 -0.108 0.559 1.000 0.667 CB 0.891 Z: 27 12.444 1.828 0.626 0.382 0.846 0.385 CB 1.100 27 residues pruned to eliminate duplicates Z: 19 31.212 2.099 1.143 0.849 0.889 0.722 CA 1.364 19 residues pruned to eliminate duplicates Z: 63 52.064 2.137 0.928 0.652 0.919 0.694 CB 1.516 63 residues pruned to eliminate duplicates Z: 14 22.098 2.061 0.836 0.591 0.923 0.692 CB 1.609 14 residues pruned to eliminate duplicates Z: 6 2.557 1.695 0.090 0.475 0.800 0.600 CB 0.793 Z: 14 21.318 1.898 0.824 0.905 0.923 0.769 CA 1.316 12 residues pruned to eliminate duplicates 7 1.718 1.436 -0.166 0.572 1.000 1.000 CB 0.546 ? Z: 8 4.124 1.774 -0.083 0.430 0.857 0.571 CB 1.202 Z: 10 3.010 1.653 0.275 0.249 0.778 0.333 CB 0.817 10 residues pruned to eliminate duplicates Z: 25 16.332 1.853 0.719 0.442 0.875 0.542 CB 1.270 25 residues pruned to eliminate duplicates Z: 13 7.646 1.637 0.302 0.465 0.833 0.500 CB 1.288 13 residues pruned to eliminate duplicates Z: 7 3.698 1.637 -0.293 0.696 0.833 0.500 CB 1.309 6 residues pruned to eliminate duplicates Z: 12 17.856 2.114 0.982 0.594 0.818 0.727 CB 1.436 19 residues pruned to eliminate duplicates Z: 11 11.071 2.006 0.846 0.527 1.000 0.700 CB 0.920 11 residues pruned to eliminate duplicates Z: 60 36.309 1.975 0.899 0.568 0.881 0.542 CB 1.340 60 residues pruned to eliminate duplicates Z: 15 22.188 1.889 0.742 0.883 0.929 0.429 CA 1.404 13 residues pruned to eliminate duplicates Z: 6 9.389 1.785 0.756 0.653 0.800 0.800 CB 1.452 6 residues pruned to eliminate duplicates Z: 7 6.875 1.753 0.514 0.657 1.000 0.667 CB 0.914 6 1.220 1.666 -0.165 0.425 0.600 0.600 CB 0.706 ? Z: 10 13.233 1.803 1.457 0.555 0.889 0.889 CB 1.062 10 residues pruned to eliminate duplicates Z: 6 9.580 1.825 0.387 0.831 1.000 1.000 CB 1.272 7 residues pruned to eliminate duplicates Z: 7 7.265 1.770 -0.101 0.664 1.000 0.667 C 1.601 Z: 24 24.461 2.070 0.500 0.701 0.913 0.522 CA 1.498 24 residues pruned to eliminate duplicates Z: 6 7.815 1.721 0.846 0.789 1.000 1.000 CB 0.854 Z: 26 24.927 1.980 0.781 0.672 0.880 0.640 CB 1.371 27 residues pruned to eliminate duplicates Z: 14 39.354 2.193 1.067 0.943 1.000 0.692 CA 1.669 14 residues pruned to eliminate duplicates 459 residues left after pruning, divided into chains as follows: A: 14 B: 118 C: 65 D: 25 E: 23 F: 96 G: 118 CC for partial structure against native data = 43.10 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.483, Connect. = 0.719 for dens.mod. cycle 1 = 0.300, Contrast = 0.557, Connect. = 0.748 for dens.mod. cycle 2 = 0.300, Contrast = 0.665, Connect. = 0.776 for dens.mod. cycle 3 = 0.300, Contrast = 0.678, Connect. = 0.778 for dens.mod. cycle 4 = 0.300, Contrast = 0.690, Connect. = 0.780 for dens.mod. cycle 5 = 0.300, Contrast = 0.695, Connect. = 0.781 for dens.mod. cycle 6 = 0.300, Contrast = 0.700, Connect. = 0.782 for dens.mod. cycle 7 = 0.300, Contrast = 0.702, Connect. = 0.783 for dens.mod. cycle 8 = 0.300, Contrast = 0.704, Connect. = 0.784 for dens.mod. cycle 9 = 0.300, Contrast = 0.704, Connect. = 0.784 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2372 peaks > 0.5 sigma used to seed fragment search Space for about 662 unique residues taking solvent into account 565 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 15 18.109 2.192 0.331 0.819 0.786 0.786 CA 1.601 B: 67 60.952 2.244 1.176 0.614 0.879 0.652 CB 1.570 C: 8 27.818 2.297 1.363 0.736 0.857 0.857 CB 1.828 8 residues pruned to eliminate duplicates D: 19 27.239 2.275 0.806 0.608 0.833 0.556 CB 1.693 19 residues pruned to eliminate duplicates E: 48 38.938 2.170 0.681 0.608 0.894 0.596 CB 1.572 F: 25 31.819 2.233 1.194 0.458 0.917 0.625 CB 1.510 G: 11 18.955 2.245 0.964 0.539 0.800 0.500 CB 1.635 11 residues pruned to eliminate duplicates H: 39 30.808 2.129 0.574 0.579 0.842 0.553 CB 1.641 39 residues pruned to eliminate duplicates I: 20 39.143 2.294 1.418 0.592 0.895 0.579 CB 1.656 19 residues pruned to eliminate duplicates J: 22 35.300 2.171 1.246 0.584 0.857 0.619 CB 1.700 22 residues pruned to eliminate duplicates K: 14 18.373 2.175 0.151 0.857 0.923 0.923 CA 1.625 14 residues pruned to eliminate duplicates L: 70 53.617 2.105 1.006 0.638 0.899 0.623 CB 1.494 26 residues pruned to eliminate duplicates M: 34 37.529 2.236 0.757 0.582 0.909 0.545 CB 1.691 34 residues pruned to eliminate duplicates N: 16 18.485 2.151 0.354 0.775 0.867 0.867 CB 1.483 15 residues pruned to eliminate duplicates O: 26 55.652 2.201 1.152 0.913 1.000 0.880 CB 1.663 26 residues pruned to eliminate duplicates P: 19 19.330 2.128 0.664 0.402 0.833 0.611 CB 1.712 Q: 13 18.678 1.891 1.029 0.566 0.917 0.667 CA 1.438 13 residues pruned to eliminate duplicates R: 26 32.731 2.225 0.720 0.672 0.920 0.640 CB 1.587 16 residues pruned to eliminate duplicates S: 73 59.303 2.186 1.244 0.577 0.903 0.583 CB 1.465 75 residues pruned to eliminate duplicates T: 48 38.387 2.186 0.706 0.604 0.830 0.574 CB 1.639 48 residues pruned to eliminate duplicates U: 26 52.235 2.185 1.167 0.924 0.960 0.880 CB 1.615 26 residues pruned to eliminate duplicates V: 27 51.437 2.134 1.164 0.907 0.962 0.846 CA 1.615 27 residues pruned to eliminate duplicates W: 25 30.735 2.283 0.727 0.654 0.875 0.708 CB 1.576 25 residues pruned to eliminate duplicates X: 27 46.843 2.153 1.143 0.911 0.923 0.808 CA 1.529 27 residues pruned to eliminate duplicates Y: 21 31.203 2.243 1.279 0.541 0.750 0.650 CB 1.748 21 residues pruned to eliminate duplicates Z: 55 51.054 2.211 1.152 0.624 0.852 0.556 CB 1.525 55 residues pruned to eliminate duplicates Z: 27 50.225 2.202 1.137 0.903 1.000 0.769 CB 1.491 Z: 15 24.138 2.241 0.640 0.819 0.857 0.857 CB 1.553 15 residues pruned to eliminate duplicates Z: 25 23.654 2.134 0.980 0.431 0.875 0.667 CB 1.402 25 residues pruned to eliminate duplicates Z: 49 38.197 2.145 0.814 0.582 0.812 0.604 CB 1.612 49 residues pruned to eliminate duplicates Z: 20 17.971 2.021 0.883 0.403 0.789 0.579 CB 1.520 Z: 28 28.254 2.050 0.860 0.528 0.852 0.519 CB 1.628 28 residues pruned to eliminate duplicates Z: 17 20.545 2.172 1.055 0.409 0.812 0.750 CB 1.559 17 residues pruned to eliminate duplicates Z: 10 21.955 2.470 0.255 0.924 1.000 1.000 CB 1.658 10 residues pruned to eliminate duplicates Z: 26 48.203 2.186 1.060 0.899 0.960 0.880 CA 1.594 26 residues pruned to eliminate duplicates Z: 78 58.986 2.199 1.056 0.547 0.909 0.532 CB 1.562 78 residues pruned to eliminate duplicates Z: 14 22.871 2.218 0.431 0.847 0.923 0.846 CB 1.607 14 residues pruned to eliminate duplicates Z: 24 27.842 2.130 0.890 0.623 0.783 0.652 CB 1.641 24 residues pruned to eliminate duplicates Z: 15 27.702 2.185 0.699 0.845 0.929 0.857 CB 1.597 15 residues pruned to eliminate duplicates Z: 34 27.360 2.178 1.035 0.448 0.758 0.515 CB 1.496 34 residues pruned to eliminate duplicates Z: 26 53.189 2.309 1.131 0.885 0.960 0.720 CA 1.625 27 residues pruned to eliminate duplicates Z: 54 54.778 2.210 1.035 0.659 0.906 0.604 CB 1.593 54 residues pruned to eliminate duplicates Z: 28 51.838 2.206 1.120 0.905 1.000 0.815 CA 1.518 26 residues pruned to eliminate duplicates Z: 12 14.205 2.032 0.732 0.523 0.818 0.545 CB 1.454 12 residues pruned to eliminate duplicates Z: 40 27.807 2.175 0.629 0.538 0.821 0.513 CB 1.476 Z: 58 56.076 2.206 1.152 0.643 0.912 0.526 CB 1.501 58 residues pruned to eliminate duplicates Z: 26 55.026 2.199 1.216 0.924 1.000 0.840 CB 1.586 26 residues pruned to eliminate duplicates Z: 11 15.012 2.083 0.749 0.629 0.800 0.600 CB 1.442 3 residues pruned to eliminate duplicates Z: 26 56.354 2.187 1.306 0.925 0.960 0.840 CB 1.634 26 residues pruned to eliminate duplicates Z: 8 17.684 2.014 1.666 0.494 0.857 0.714 CB 1.462 7 residues pruned to eliminate duplicates Z: 19 27.265 2.123 0.931 0.623 0.889 0.667 CB 1.570 19 residues pruned to eliminate duplicates Z: 54 63.721 2.248 1.190 0.663 0.962 0.642 CB 1.589 54 residues pruned to eliminate duplicates Z: 20 14.824 2.018 0.640 0.417 0.789 0.579 CB 1.420 20 residues pruned to eliminate duplicates Z: 14 11.676 2.156 0.566 0.413 0.692 0.385 CB 1.518 14 residues pruned to eliminate duplicates Z: 13 19.790 2.204 1.280 0.529 0.833 0.500 CB 1.326 13 residues pruned to eliminate duplicates Z: 26 56.920 2.263 1.252 0.911 1.000 0.680 CB 1.583 28 residues pruned to eliminate duplicates Z: 17 16.717 2.096 0.807 0.490 0.750 0.562 CB 1.485 17 residues pruned to eliminate duplicates Z: 26 26.876 2.071 1.235 0.416 0.840 0.600 CA 1.510 26 residues pruned to eliminate duplicates Z: 40 32.247 2.162 0.842 0.550 0.846 0.462 CB 1.460 40 residues pruned to eliminate duplicates Z: 51 54.753 2.249 1.032 0.682 0.940 0.720 CB 1.526 26 residues pruned to eliminate duplicates Z: 24 55.691 2.256 1.272 0.881 1.000 0.783 CA 1.640 24 residues pruned to eliminate duplicates Z: 12 36.720 2.463 0.873 0.902 1.000 0.909 CB 1.712 12 residues pruned to eliminate duplicates Z: 14 26.771 2.113 0.635 0.889 1.000 0.846 CA 1.547 14 residues pruned to eliminate duplicates Z: 26 22.599 2.126 1.090 0.446 0.800 0.440 CB 1.345 25 residues pruned to eliminate duplicates Z: 53 54.508 2.197 1.148 0.659 0.923 0.654 CB 1.498 20 residues pruned to eliminate duplicates Z: 26 50.831 2.147 1.160 0.935 0.960 0.840 CB 1.591 26 residues pruned to eliminate duplicates Z: 36 42.103 2.317 0.922 0.595 0.886 0.600 CB 1.648 62 residues pruned to eliminate duplicates Z: 58 50.865 2.164 0.882 0.627 0.947 0.667 CB 1.549 53 residues pruned to eliminate duplicates Z: 16 23.636 1.978 0.575 0.870 1.000 0.733 CA 1.431 Z: 14 21.185 2.180 0.522 0.850 0.846 0.692 CB 1.550 14 residues pruned to eliminate duplicates Z: 36 23.284 2.111 0.729 0.504 0.743 0.543 CB 1.446 33 residues pruned to eliminate duplicates Z: 55 55.689 2.224 1.158 0.657 0.907 0.593 CB 1.504 55 residues pruned to eliminate duplicates Z: 31 26.467 2.183 0.596 0.442 0.867 0.500 CB 1.700 31 residues pruned to eliminate duplicates Z: 26 26.377 2.267 0.487 0.645 0.880 0.680 CB 1.552 26 residues pruned to eliminate duplicates Z: 48 36.610 2.139 0.879 0.570 0.851 0.596 CB 1.459 48 residues pruned to eliminate duplicates Z: 26 53.330 2.304 1.020 0.902 1.000 0.800 CB 1.635 26 residues pruned to eliminate duplicates Z: 69 59.943 2.262 0.937 0.611 0.912 0.574 CB 1.638 69 residues pruned to eliminate duplicates Z: 25 44.366 2.157 0.856 0.946 1.000 0.875 CA 1.564 25 residues pruned to eliminate duplicates Z: 40 26.417 2.101 0.589 0.503 0.872 0.538 CB 1.450 4 residues pruned to eliminate duplicates Z: 10 15.479 1.917 0.501 0.858 0.889 0.778 CA 1.485 10 residues pruned to eliminate duplicates Z: 18 39.920 2.281 1.268 0.657 0.941 0.588 CB 1.719 18 residues pruned to eliminate duplicates Z: 10 8.669 1.919 0.737 0.302 0.778 0.444 CB 1.390 10 residues pruned to eliminate duplicates Z: 26 41.344 2.157 0.760 0.940 0.960 0.880 CA 1.577 26 residues pruned to eliminate duplicates Z: 25 41.239 2.181 0.799 0.943 1.000 0.917 CB 1.486 25 residues pruned to eliminate duplicates Z: 31 33.865 2.257 0.707 0.542 0.867 0.567 CB 1.778 31 residues pruned to eliminate duplicates Z: 7 10.506 1.729 0.630 0.624 1.000 0.833 CA 1.353 7 residues pruned to eliminate duplicates Z: 43 37.751 2.121 0.836 0.692 0.929 0.738 CB 1.351 43 residues pruned to eliminate duplicates Z: 13 17.119 2.013 0.306 0.913 0.917 0.667 CA 1.452 13 residues pruned to eliminate duplicates Z: 26 44.646 2.151 1.040 0.922 1.000 0.800 CB 1.431 26 residues pruned to eliminate duplicates Z: 25 55.234 2.317 1.178 0.903 1.000 0.750 CA 1.592 25 residues pruned to eliminate duplicates Z: 28 44.808 2.041 1.129 0.891 0.963 0.630 CA 1.481 28 residues pruned to eliminate duplicates Z: 27 52.858 2.162 1.259 0.916 0.962 0.769 CA 1.559 27 residues pruned to eliminate duplicates Z: 16 23.040 1.947 0.732 0.861 0.933 0.733 CA 1.388 16 residues pruned to eliminate duplicates Z: 56 44.366 2.097 0.865 0.645 0.927 0.691 CB 1.441 56 residues pruned to eliminate duplicates Z: 88 61.113 2.220 1.042 0.585 0.862 0.632 CB 1.545 88 residues pruned to eliminate duplicates Z: 8 7.763 1.859 0.317 0.369 1.000 0.429 N 1.378 6 residues pruned to eliminate duplicates Z: 26 56.563 2.314 1.180 0.916 1.000 0.640 CB 1.584 26 residues pruned to eliminate duplicates Z: 26 54.147 2.256 1.188 0.906 1.000 0.480 CB 1.561 26 residues pruned to eliminate duplicates Z: 27 23.647 2.019 0.712 0.641 0.846 0.423 CB 1.390 26 residues pruned to eliminate duplicates Z: 22 15.119 1.984 0.636 0.436 0.810 0.524 CB 1.342 22 residues pruned to eliminate duplicates Z: 27 50.303 2.279 1.122 0.870 0.923 0.731 CA 1.613 27 residues pruned to eliminate duplicates Z: 65 43.438 2.104 0.877 0.590 0.906 0.641 CB 1.392 65 residues pruned to eliminate duplicates Z: 19 22.054 2.183 0.598 0.730 0.778 0.389 CB 1.557 19 residues pruned to eliminate duplicates Z: 26 50.712 2.278 1.047 0.897 1.000 0.800 CA 1.556 26 residues pruned to eliminate duplicates Z: 26 46.782 2.146 0.888 0.941 1.000 0.760 CA 1.602 26 residues pruned to eliminate duplicates Z: 24 13.479 1.829 0.501 0.386 0.913 0.565 CB 1.265 Z: 54 52.675 2.237 1.066 0.651 0.906 0.642 CB 1.501 54 residues pruned to eliminate duplicates Z: 19 32.655 2.132 0.847 0.890 0.889 0.833 CB 1.583 19 residues pruned to eliminate duplicates Z: 50 56.718 2.220 1.100 0.697 0.918 0.612 CB 1.581 50 residues pruned to eliminate duplicates Z: 20 16.635 2.046 0.732 0.357 0.842 0.579 CB 1.492 20 residues pruned to eliminate duplicates Z: 25 21.487 2.125 0.717 0.494 0.875 0.500 CB 1.382 25 residues pruned to eliminate duplicates Z: 31 28.799 2.182 0.684 0.573 0.867 0.600 CB 1.539 34 residues pruned to eliminate duplicates Z: 27 36.019 2.105 0.745 0.917 0.962 0.808 CB 1.412 27 residues pruned to eliminate duplicates Z: 12 12.506 1.853 0.871 0.373 0.818 0.273 CB 1.522 12 residues pruned to eliminate duplicates Z: 25 39.288 2.151 0.686 0.928 0.958 0.708 CB 1.616 25 residues pruned to eliminate duplicates Z: 11 16.477 2.168 0.682 0.509 0.900 0.400 CB 1.573 11 residues pruned to eliminate duplicates Z: 16 11.495 2.139 0.586 0.381 0.733 0.600 CB 1.354 15 residues pruned to eliminate duplicates Z: 23 31.883 2.091 0.711 0.939 0.955 0.909 CB 1.383 23 residues pruned to eliminate duplicates Z: 24 16.893 1.997 0.729 0.472 0.826 0.652 CB 1.271 24 residues pruned to eliminate duplicates Z: 20 21.875 2.063 0.781 0.718 0.789 0.474 CB 1.420 21 residues pruned to eliminate duplicates Z: 10 9.354 2.178 0.706 0.360 0.778 0.444 CB 1.255 10 residues pruned to eliminate duplicates Z: 51 56.319 2.272 1.190 0.663 0.920 0.620 CB 1.497 51 residues pruned to eliminate duplicates Z: 27 48.566 2.229 1.146 0.874 0.923 0.423 CA 1.570 27 residues pruned to eliminate duplicates Z: 27 43.312 2.068 1.100 0.898 1.000 0.769 CB 1.399 27 residues pruned to eliminate duplicates Z: 47 59.915 2.238 1.057 0.727 0.957 0.674 CB 1.636 54 residues pruned to eliminate duplicates Z: 13 18.467 2.060 0.429 0.919 0.833 0.833 CA 1.532 13 residues pruned to eliminate duplicates Z: 48 42.743 2.202 1.108 0.527 0.894 0.426 CB 1.463 45 residues pruned to eliminate duplicates Z: 28 26.146 2.036 0.938 0.548 0.815 0.519 CB 1.493 28 residues pruned to eliminate duplicates Z: 14 18.149 1.867 0.874 0.793 0.846 0.538 CA 1.316 14 residues pruned to eliminate duplicates Z: 12 3.871 1.669 0.166 0.228 0.818 0.273 CB 1.007 12 residues pruned to eliminate duplicates Z: 15 27.704 2.257 0.847 0.808 0.857 0.571 CB 1.584 15 residues pruned to eliminate duplicates Z: 63 52.787 2.192 1.048 0.674 0.855 0.629 CB 1.487 63 residues pruned to eliminate duplicates Z: 16 25.382 2.176 0.706 0.791 0.867 0.733 CA 1.579 16 residues pruned to eliminate duplicates Z: 23 26.251 2.213 1.137 0.450 0.864 0.727 CB 1.443 23 residues pruned to eliminate duplicates Z: 26 50.391 2.192 1.137 0.903 0.960 0.880 CA 1.597 26 residues pruned to eliminate duplicates Z: 25 47.120 2.261 1.024 0.894 1.000 0.708 CA 1.508 25 residues pruned to eliminate duplicates Z: 27 47.862 2.142 1.095 0.922 0.962 0.615 CB 1.530 27 residues pruned to eliminate duplicates Z: 25 46.572 2.152 0.962 0.920 1.000 0.708 CA 1.585 25 residues pruned to eliminate duplicates Z: 12 34.703 2.472 0.733 0.924 1.000 0.818 CB 1.715 12 residues pruned to eliminate duplicates Z: 27 47.321 2.144 1.074 0.918 0.962 0.808 CB 1.531 27 residues pruned to eliminate duplicates Z: 27 48.636 2.246 1.037 0.878 0.962 0.385 CA 1.573 27 residues pruned to eliminate duplicates Z: 36 28.724 2.200 0.523 0.592 0.800 0.543 CA 1.658 52 residues pruned to eliminate duplicates Z: 30 24.754 2.087 0.667 0.554 0.862 0.586 CB 1.453 30 residues pruned to eliminate duplicates Z: 11 5.077 1.770 0.363 0.296 0.900 0.700 CB 0.929 11 residues pruned to eliminate duplicates Z: 24 21.289 2.085 0.641 0.648 0.826 0.609 CB 1.367 25 residues pruned to eliminate duplicates Z: 36 34.561 2.214 0.651 0.594 0.886 0.571 CB 1.650 36 residues pruned to eliminate duplicates Z: 30 20.680 2.046 0.729 0.433 0.897 0.517 CB 1.298 31 residues pruned to eliminate duplicates Z: 26 39.625 2.145 0.733 0.942 1.000 0.960 CB 1.479 26 residues pruned to eliminate duplicates Z: 25 54.537 2.143 1.189 0.953 1.000 0.625 CA 1.633 25 residues pruned to eliminate duplicates Z: 54 46.142 2.105 0.970 0.673 0.943 0.642 CB 1.381 54 residues pruned to eliminate duplicates Z: 47 30.253 2.046 0.678 0.535 0.957 0.457 CB 1.311 47 residues pruned to eliminate duplicates Z: 25 60.994 2.226 1.417 0.933 1.000 0.542 CB 1.615 25 residues pruned to eliminate duplicates Z: 68 52.164 2.194 1.021 0.567 0.881 0.701 CB 1.530 68 residues pruned to eliminate duplicates Z: 26 38.741 2.124 0.774 0.908 1.000 0.720 CB 1.460 26 residues pruned to eliminate duplicates Z: 27 48.938 2.263 1.013 0.883 1.000 0.846 CA 1.523 27 residues pruned to eliminate duplicates Z: 25 52.725 2.190 1.265 0.922 0.958 0.667 CB 1.593 25 residues pruned to eliminate duplicates Z: 10 13.557 2.045 0.433 0.726 1.000 0.778 CA 1.257 10 residues pruned to eliminate duplicates Z: 27 21.050 2.022 0.643 0.625 0.769 0.462 CB 1.437 27 residues pruned to eliminate duplicates Z: 14 23.296 2.003 0.603 0.913 1.000 0.846 CA 1.425 Z: 19 19.373 2.073 1.083 0.532 0.889 0.500 CB 1.153 19 residues pruned to eliminate duplicates Z: 16 12.976 2.011 0.764 0.448 0.733 0.600 CB 1.358 16 residues pruned to eliminate duplicates Z: 26 45.027 2.155 0.986 0.921 1.000 0.840 CB 1.481 26 residues pruned to eliminate duplicates Z: 26 47.562 2.165 1.082 0.920 0.960 0.760 CA 1.547 26 residues pruned to eliminate duplicates Z: 26 41.972 2.129 0.955 0.915 1.000 0.720 CB 1.425 26 residues pruned to eliminate duplicates Z: 23 44.695 2.146 0.907 0.916 1.000 0.409 CB 1.645 23 residues pruned to eliminate duplicates Z: 12 27.081 2.048 1.209 0.662 1.000 0.545 CB 1.554 12 residues pruned to eliminate duplicates Z: 12 6.547 1.875 0.088 0.428 0.818 0.727 CB 1.275 Z: 26 46.867 2.082 0.988 0.948 1.000 0.720 CA 1.565 26 residues pruned to eliminate duplicates Z: 33 51.053 2.349 1.071 0.758 0.938 0.531 CB 1.572 33 residues pruned to eliminate duplicates Z: 26 47.087 2.267 0.903 0.886 1.000 0.840 CA 1.575 26 residues pruned to eliminate duplicates Z: 26 46.458 2.163 1.078 0.925 1.000 0.720 CB 1.451 26 residues pruned to eliminate duplicates Z: 15 17.711 1.920 0.413 0.875 1.000 0.857 CA 1.269 15 residues pruned to eliminate duplicates Z: 6 5.176 1.652 0.108 0.713 0.800 0.600 CA 1.303 6 residues pruned to eliminate duplicates Z: 15 20.480 1.844 0.672 0.874 1.000 0.857 CA 1.292 14 residues pruned to eliminate duplicates Z: 27 33.995 2.107 0.686 0.920 0.923 0.769 CB 1.432 27 residues pruned to eliminate duplicates Z: 54 48.369 2.181 0.959 0.645 0.887 0.642 CB 1.532 54 residues pruned to eliminate duplicates Z: 17 20.380 2.169 1.047 0.427 0.750 0.688 CA 1.650 17 residues pruned to eliminate duplicates Z: 46 49.287 2.136 1.023 0.727 0.956 0.600 CB 1.451 46 residues pruned to eliminate duplicates Z: 26 55.091 2.278 1.221 0.921 1.000 0.760 CB 1.533 26 residues pruned to eliminate duplicates Z: 22 46.759 2.193 0.927 0.948 1.000 0.762 CB 1.667 22 residues pruned to eliminate duplicates Z: 26 44.757 2.151 0.817 0.933 1.000 0.840 CA 1.598 26 residues pruned to eliminate duplicates Z: 13 12.807 1.929 0.818 0.503 0.833 0.583 CB 1.262 13 residues pruned to eliminate duplicates Z: 12 17.496 1.983 0.483 0.859 0.909 0.818 CA 1.452 12 residues pruned to eliminate duplicates Z: 15 10.398 1.822 0.520 0.550 0.786 0.500 CB 1.216 Z: 15 21.873 2.198 0.850 0.546 0.929 0.714 CB 1.481 15 residues pruned to eliminate duplicates Z: 27 47.596 2.067 1.073 0.927 1.000 0.769 CB 1.526 27 residues pruned to eliminate duplicates Z: 8 26.717 2.130 1.210 0.729 1.000 0.857 CB 1.744 8 residues pruned to eliminate duplicates Z: 14 20.543 2.077 0.275 0.900 1.000 0.769 CA 1.537 14 residues pruned to eliminate duplicates Z: 7 4.972 1.779 0.451 0.524 0.667 0.333 N 1.152 7 residues pruned to eliminate duplicates Z: 26 47.688 2.149 0.943 0.916 1.000 0.720 CA 1.613 26 residues pruned to eliminate duplicates Z: 9 13.634 2.112 1.186 0.564 0.750 0.625 CB 1.309 9 residues pruned to eliminate duplicates Z: 26 52.614 2.289 1.122 0.916 1.000 0.840 CB 1.530 26 residues pruned to eliminate duplicates Z: 25 61.472 2.353 1.310 0.897 1.000 0.625 CB 1.652 25 residues pruned to eliminate duplicates Z: 23 16.472 2.000 0.560 0.465 0.818 0.273 CB 1.426 23 residues pruned to eliminate duplicates Z: 71 67.650 2.238 1.273 0.644 0.914 0.600 CB 1.519 71 residues pruned to eliminate duplicates Z: 13 18.369 1.893 0.418 0.906 1.000 0.750 CA 1.405 13 residues pruned to eliminate duplicates Z: 51 44.259 2.102 0.961 0.644 0.940 0.660 CB 1.412 51 residues pruned to eliminate duplicates Z: 51 57.286 2.253 1.178 0.666 0.960 0.660 CB 1.475 51 residues pruned to eliminate duplicates Z: 14 7.284 1.659 0.649 0.275 0.769 0.308 CA 1.239 14 residues pruned to eliminate duplicates Z: 39 29.048 2.155 0.714 0.512 0.868 0.474 CB 1.452 39 residues pruned to eliminate duplicates Z: 18 17.083 2.215 0.829 0.504 0.706 0.647 CB 1.444 18 residues pruned to eliminate duplicates Z: 27 43.223 2.127 0.952 0.950 1.000 0.808 CB 1.408 27 residues pruned to eliminate duplicates Z: 24 19.225 1.947 0.932 0.553 0.826 0.609 CB 1.224 24 residues pruned to eliminate duplicates Z: 15 14.848 1.862 0.562 0.597 0.929 0.643 CB 1.339 15 residues pruned to eliminate duplicates Z: 27 24.811 2.182 0.642 0.442 0.923 0.500 CB 1.561 27 residues pruned to eliminate duplicates Z: 25 62.079 2.375 1.258 0.916 1.000 0.667 CB 1.669 25 residues pruned to eliminate duplicates Z: 16 27.988 2.194 0.733 0.820 0.933 0.800 CB 1.543 16 residues pruned to eliminate duplicates Z: 24 23.000 2.107 0.990 0.529 0.826 0.565 CB 1.346 24 residues pruned to eliminate duplicates Z: 27 35.833 2.110 0.780 0.898 0.962 0.769 CB 1.392 27 residues pruned to eliminate duplicates Z: 11 35.536 2.432 1.030 0.920 1.000 1.000 CB 1.604 11 residues pruned to eliminate duplicates Z: 11 22.066 2.150 0.497 0.911 1.000 0.900 CA 1.536 11 residues pruned to eliminate duplicates Z: 8 4.289 1.909 -0.141 0.439 0.857 0.714 CB 1.229 Z: 51 51.720 2.218 0.993 0.656 0.920 0.740 CB 1.556 51 residues pruned to eliminate duplicates Z: 16 5.468 1.712 0.194 0.254 0.733 0.400 CB 1.248 Z: 6 4.329 1.757 0.084 0.631 0.800 0.800 O 1.123 Z: 73 59.827 2.201 1.074 0.580 0.903 0.694 CB 1.584 73 residues pruned to eliminate duplicates Z: 13 14.267 1.856 0.520 0.835 0.917 0.750 CB 1.193 13 residues pruned to eliminate duplicates Z: 27 39.911 2.111 0.827 0.923 1.000 0.808 CB 1.427 27 residues pruned to eliminate duplicates Z: 10 8.754 1.876 0.430 0.497 0.778 0.667 CB 1.403 9 residues pruned to eliminate duplicates Z: 26 44.158 2.150 0.946 0.945 1.000 0.760 CB 1.461 26 residues pruned to eliminate duplicates Z: 21 10.166 1.731 0.474 0.351 0.900 0.550 CB 1.163 21 residues pruned to eliminate duplicates Z: 23 31.784 2.036 0.735 0.900 0.955 0.773 CB 1.436 23 residues pruned to eliminate duplicates Z: 66 56.651 2.193 0.903 0.620 0.908 0.615 CB 1.655 66 residues pruned to eliminate duplicates Z: 52 52.704 2.243 1.189 0.640 0.922 0.647 CB 1.431 52 residues pruned to eliminate duplicates Z: 27 45.859 2.129 0.956 0.948 1.000 0.885 CA 1.491 27 residues pruned to eliminate duplicates Z: 27 40.927 2.118 0.885 0.915 1.000 0.846 CB 1.421 27 residues pruned to eliminate duplicates Z: 13 23.089 2.065 0.924 0.881 0.833 0.667 CA 1.457 13 residues pruned to eliminate duplicates Z: 16 18.477 1.872 0.535 0.821 1.000 0.600 CA 1.257 16 residues pruned to eliminate duplicates Z: 14 22.611 2.087 0.483 0.913 0.923 0.538 CA 1.553 14 residues pruned to eliminate duplicates Z: 74 51.482 2.179 0.950 0.582 0.918 0.589 CB 1.427 72 residues pruned to eliminate duplicates Z: 13 16.268 1.933 0.632 0.737 0.917 0.500 CB 1.313 13 residues pruned to eliminate duplicates Z: 6 6.671 1.763 0.224 0.682 1.000 0.800 CB 1.170 6 residues pruned to eliminate duplicates 9 1.285 1.710 0.004 0.219 0.500 0.375 CB 0.736 ? Z: 17 20.818 2.025 0.923 0.538 0.750 0.562 CB 1.716 17 residues pruned to eliminate duplicates Z: 28 38.855 2.026 0.848 0.895 0.963 0.741 CA 1.487 28 residues pruned to eliminate duplicates Z: 48 29.689 2.099 0.601 0.563 0.851 0.468 CB 1.424 48 residues pruned to eliminate duplicates Z: 10 17.289 1.986 0.931 0.539 0.889 0.667 CB 1.628 10 residues pruned to eliminate duplicates Z: 33 28.093 2.158 0.785 0.559 0.781 0.375 CB 1.558 33 residues pruned to eliminate duplicates Z: 26 22.742 2.031 0.659 0.639 0.840 0.600 CB 1.411 26 residues pruned to eliminate duplicates Z: 12 18.340 1.830 0.807 0.875 0.909 0.909 CB 1.338 12 residues pruned to eliminate duplicates Z: 15 18.347 1.955 0.410 0.844 1.000 0.786 CA 1.323 15 residues pruned to eliminate duplicates Z: 26 48.260 2.170 1.088 0.928 1.000 0.760 CB 1.492 26 residues pruned to eliminate duplicates Z: 22 30.741 2.382 0.519 0.714 0.952 0.714 CB 1.603 22 residues pruned to eliminate duplicates Z: 12 25.282 2.163 1.135 0.611 0.909 0.545 CB 1.634 12 residues pruned to eliminate duplicates Z: 17 20.302 2.106 0.680 0.492 0.938 0.750 CA 1.542 17 residues pruned to eliminate duplicates Z: 37 48.395 2.247 1.147 0.675 0.889 0.694 CB 1.601 37 residues pruned to eliminate duplicates Z: 16 7.615 2.041 0.400 0.387 0.600 0.467 CB 1.293 Z: 26 43.084 2.135 1.005 0.948 1.000 0.800 CB 1.390 26 residues pruned to eliminate duplicates Z: 15 29.561 2.248 0.823 0.872 0.857 0.786 CB 1.639 15 residues pruned to eliminate duplicates Z: 12 13.257 1.913 0.823 0.473 0.909 0.545 CB 1.296 12 residues pruned to eliminate duplicates Z: 34 55.708 2.335 1.210 0.807 0.970 0.727 CB 1.483 34 residues pruned to eliminate duplicates Z: 9 11.605 1.976 0.590 0.559 0.875 0.625 CB 1.409 9 residues pruned to eliminate duplicates Z: 15 21.728 2.043 0.686 0.864 0.929 0.786 CA 1.331 15 residues pruned to eliminate duplicates Z: 26 59.260 2.187 1.353 0.924 1.000 0.560 CB 1.617 26 residues pruned to eliminate duplicates Z: 77 60.999 2.232 1.170 0.578 0.868 0.605 CB 1.542 77 residues pruned to eliminate duplicates Z: 48 50.756 2.199 1.012 0.680 0.915 0.681 CB 1.549 48 residues pruned to eliminate duplicates Z: 41 41.058 2.181 0.760 0.727 0.950 0.825 CB 1.451 41 residues pruned to eliminate duplicates Z: 8 13.093 2.187 0.976 0.618 1.000 0.714 CB 1.024 8 residues pruned to eliminate duplicates Z: 6 4.533 2.031 -0.268 0.516 0.800 0.600 CA 1.676 Z: 16 15.904 1.918 0.624 0.795 0.867 0.733 CA 1.174 16 residues pruned to eliminate duplicates Z: 78 45.823 2.066 0.893 0.564 0.883 0.610 CB 1.421 78 residues pruned to eliminate duplicates Z: 7 2.504 1.915 -0.136 0.299 0.833 0.500 CB 0.928 Z: 16 18.108 1.877 0.530 0.838 0.933 0.533 CA 1.303 16 residues pruned to eliminate duplicates Z: 25 25.807 2.033 0.504 0.708 0.958 0.542 CB 1.488 24 residues pruned to eliminate duplicates Z: 9 6.939 1.792 0.286 0.459 0.875 0.375 CB 1.269 9 residues pruned to eliminate duplicates Z: 11 8.778 1.640 0.005 0.821 1.000 0.800 CB 1.275 11 residues pruned to eliminate duplicates Z: 18 17.616 2.153 0.977 0.516 0.765 0.588 CB 1.291 18 residues pruned to eliminate duplicates Z: 7 7.141 1.847 0.371 0.571 0.833 0.667 CB 1.290 7 residues pruned to eliminate duplicates Z: 12 10.910 2.106 0.746 0.346 0.818 0.545 CB 1.293 12 residues pruned to eliminate duplicates Z: 6 4.035 1.863 0.366 0.542 0.800 0.800 CB 0.851 Z: 15 23.115 2.007 0.674 0.869 1.000 0.786 CA 1.344 14 residues pruned to eliminate duplicates Z: 21 16.957 1.947 0.827 0.317 0.850 0.450 CB 1.535 21 residues pruned to eliminate duplicates Z: 39 40.312 2.207 0.960 0.696 0.895 0.684 CB 1.412 39 residues pruned to eliminate duplicates Z: 6 5.383 1.845 0.373 0.415 0.800 0.600 CB 1.299 Z: 25 57.254 2.249 1.277 0.939 0.958 0.875 CB 1.655 25 residues pruned to eliminate duplicates Z: 77 45.953 2.100 0.903 0.575 0.855 0.539 CB 1.434 77 residues pruned to eliminate duplicates Z: 12 10.182 1.841 0.638 0.474 0.909 0.636 CB 1.151 12 residues pruned to eliminate duplicates Z: 26 42.246 2.141 0.971 0.922 0.960 0.560 CB 1.466 26 residues pruned to eliminate duplicates Z: 46 36.229 2.163 0.721 0.564 0.844 0.622 CB 1.615 68 residues pruned to eliminate duplicates Z: 9 10.480 1.660 1.149 0.487 0.875 0.500 CB 1.202 9 residues pruned to eliminate duplicates Z: 40 46.823 2.154 0.971 0.726 0.949 0.744 CB 1.518 40 residues pruned to eliminate duplicates Z: 48 33.528 2.103 0.716 0.584 0.851 0.638 CB 1.469 48 residues pruned to eliminate duplicates Z: 24 51.406 2.168 1.141 0.948 1.000 0.652 CA 1.594 24 residues pruned to eliminate duplicates Z: 6 5.820 1.712 0.143 0.744 0.800 0.600 N 1.337 Z: 54 39.607 2.090 0.806 0.636 0.943 0.566 CB 1.345 54 residues pruned to eliminate duplicates Z: 7 5.375 1.891 0.209 0.425 0.667 0.333 CA 1.555 7 residues pruned to eliminate duplicates Z: 7 5.649 1.640 0.781 0.248 0.833 0.333 O 1.267 6 1.783 1.304 0.621 0.292 0.600 0.400 CA 0.794 ? Z: 7 9.186 1.974 0.530 0.749 0.833 0.667 CB 1.193 7 residues pruned to eliminate duplicates Z: 15 11.731 1.841 0.468 0.557 0.929 0.643 CB 1.182 15 residues pruned to eliminate duplicates Z: 7 3.439 1.796 0.154 0.327 0.667 0.500 CA 1.229 7 residues pruned to eliminate duplicates Z: 16 33.581 2.182 0.966 0.832 0.933 0.333 CA 1.625 16 residues pruned to eliminate duplicates Z: 12 10.715 1.889 0.625 0.413 0.727 0.545 CA 1.586 12 residues pruned to eliminate duplicates Z: 35 22.723 2.062 0.792 0.436 0.794 0.529 CB 1.419 35 residues pruned to eliminate duplicates Z: 48 40.037 2.161 0.826 0.556 0.872 0.532 CB 1.607 48 residues pruned to eliminate duplicates Z: 14 19.249 1.930 0.639 0.876 0.923 0.769 CA 1.329 14 residues pruned to eliminate duplicates Z: 7 5.572 1.712 0.623 0.298 0.833 0.333 CB 1.232 Z: 9 5.707 1.788 -0.078 0.308 1.000 0.500 CB 1.516 Z: 16 20.796 1.909 0.752 0.800 1.000 0.667 CA 1.235 15 residues pruned to eliminate duplicates Z: 16 20.965 1.909 0.655 0.834 1.000 0.733 CA 1.284 16 residues pruned to eliminate duplicates Z: 27 44.448 2.125 0.925 0.902 1.000 0.923 CA 1.520 27 residues pruned to eliminate duplicates Z: 35 29.846 1.985 1.098 0.634 0.824 0.471 CB 1.316 35 residues pruned to eliminate duplicates Z: 25 51.879 2.220 1.368 0.899 0.917 0.583 CB 1.571 25 residues pruned to eliminate duplicates Z: 25 50.226 2.283 1.143 0.899 0.958 0.458 CB 1.563 25 residues pruned to eliminate duplicates Z: 25 47.085 2.181 1.066 0.947 1.000 0.708 CB 1.474 25 residues pruned to eliminate duplicates Z: 12 12.784 1.970 0.439 0.551 0.818 0.636 CB 1.581 12 residues pruned to eliminate duplicates Z: 17 15.828 1.963 0.604 0.662 0.750 0.438 CB 1.442 17 residues pruned to eliminate duplicates Z: 26 42.803 2.138 1.026 0.910 1.000 0.640 CB 1.401 26 residues pruned to eliminate duplicates Z: 37 58.986 2.346 1.358 0.744 0.944 0.583 CB 1.513 37 residues pruned to eliminate duplicates Z: 12 15.103 1.793 0.676 0.601 0.909 0.818 CB 1.513 12 residues pruned to eliminate duplicates Z: 7 4.193 1.523 0.995 0.248 0.833 0.667 CA 0.904 6 residues pruned to eliminate duplicates Z: 8 3.009 1.798 -0.168 0.598 0.714 0.714 CB 0.970 4 residues pruned to eliminate duplicates Z: 27 37.823 2.057 0.801 0.922 0.962 0.885 CA 1.465 27 residues pruned to eliminate duplicates Z: 7 4.981 1.951 -0.457 0.746 1.000 0.833 CB 1.540 Z: 56 35.909 2.040 0.764 0.568 0.891 0.691 CB 1.414 56 residues pruned to eliminate duplicates Z: 52 50.343 2.169 1.011 0.671 0.922 0.667 CB 1.497 52 residues pruned to eliminate duplicates Z: 7 7.978 1.834 0.466 0.663 1.000 0.833 CB 1.042 7 residues pruned to eliminate duplicates Z: 26 58.975 2.322 1.210 0.910 1.000 0.680 CA 1.631 26 residues pruned to eliminate duplicates Z: 52 60.775 2.234 1.175 0.647 0.922 0.549 CB 1.657 52 residues pruned to eliminate duplicates Z: 27 42.483 2.119 1.005 0.931 0.962 0.923 CB 1.425 27 residues pruned to eliminate duplicates Z: 50 52.094 2.274 1.146 0.658 0.878 0.633 CB 1.500 50 residues pruned to eliminate duplicates Z: 27 36.765 2.111 0.676 0.931 1.000 0.846 CB 1.424 27 residues pruned to eliminate duplicates Z: 10 7.043 1.754 0.114 0.670 0.778 0.778 CB 1.320 Z: 27 47.856 2.157 1.179 0.876 0.923 0.615 CA 1.572 27 residues pruned to eliminate duplicates Z: 20 22.224 2.140 0.875 0.549 0.895 0.474 CB 1.354 20 residues pruned to eliminate duplicates Z: 25 18.933 1.999 0.751 0.475 0.792 0.458 CB 1.430 25 residues pruned to eliminate duplicates Z: 26 32.094 2.087 0.545 0.898 0.960 0.800 CA 1.483 26 residues pruned to eliminate duplicates Z: 26 45.735 2.143 1.061 0.927 1.000 0.800 CB 1.452 26 residues pruned to eliminate duplicates Z: 20 18.303 2.185 0.670 0.572 0.737 0.579 CB 1.457 20 residues pruned to eliminate duplicates Z: 41 32.203 2.112 0.679 0.565 0.850 0.650 CA 1.586 41 residues pruned to eliminate duplicates Z: 16 16.458 1.880 0.584 0.830 0.867 0.667 CA 1.238 16 residues pruned to eliminate duplicates Z: 16 19.640 1.893 0.578 0.844 1.000 0.733 CA 1.263 16 residues pruned to eliminate duplicates Z: 16 20.262 1.847 0.601 0.816 0.933 0.667 CA 1.440 16 residues pruned to eliminate duplicates Z: 25 47.977 2.108 1.042 0.922 1.000 0.667 CA 1.599 25 residues pruned to eliminate duplicates Z: 9 4.492 1.858 0.175 0.310 0.750 0.375 CB 1.198 Z: 38 47.375 2.163 1.064 0.747 0.973 0.757 CB 1.439 38 residues pruned to eliminate duplicates Z: 27 48.262 2.232 1.153 0.871 0.962 0.731 CA 1.495 27 residues pruned to eliminate duplicates Z: 7 7.939 1.846 -0.118 0.881 1.000 0.833 CB 1.442 Z: 35 38.045 2.117 1.049 0.651 0.882 0.676 CB 1.481 35 residues pruned to eliminate duplicates Z: 15 8.271 1.679 0.337 0.573 0.714 0.571 N 1.285 Z: 23 12.093 1.848 0.649 0.390 0.864 0.545 CB 1.101 23 residues pruned to eliminate duplicates Z: 24 24.913 2.199 0.513 0.666 0.826 0.783 CB 1.621 24 residues pruned to eliminate duplicates Z: 23 37.901 2.221 1.217 0.593 0.864 0.591 CB 1.738 22 residues pruned to eliminate duplicates Z: 27 39.270 2.117 0.995 0.930 0.962 0.846 CB 1.326 27 residues pruned to eliminate duplicates Z: 7 4.457 1.738 -0.127 0.623 0.833 0.667 O 1.282 6 residues pruned to eliminate duplicates Z: 27 55.847 2.247 1.183 0.893 1.000 0.654 CB 1.602 27 residues pruned to eliminate duplicates Z: 9 11.505 2.056 0.935 0.490 0.750 0.750 CB 1.377 9 residues pruned to eliminate duplicates Z: 15 12.104 1.776 0.493 0.605 0.857 0.571 CB 1.289 15 residues pruned to eliminate duplicates Z: 26 42.868 2.141 0.998 0.902 0.960 0.800 CA 1.489 26 residues pruned to eliminate duplicates Z: 75 64.295 2.206 1.091 0.581 0.892 0.527 CB 1.681 75 residues pruned to eliminate duplicates Z: 13 15.301 1.948 0.619 0.533 0.917 0.583 CB 1.480 14 residues pruned to eliminate duplicates Z: 7 6.995 1.778 0.834 0.801 1.000 1.000 CB 0.673 Z: 30 43.838 2.305 1.127 0.602 0.931 0.414 CB 1.618 30 residues pruned to eliminate duplicates Z: 6 9.546 1.734 1.046 0.487 0.800 0.800 C 1.525 Z: 26 49.128 2.138 1.351 0.952 0.960 0.560 CB 1.403 26 residues pruned to eliminate duplicates Z: 7 5.913 1.901 -0.267 0.800 1.000 1.000 CB 1.332 6 residues pruned to eliminate duplicates Z: 41 25.031 2.035 0.788 0.487 0.850 0.550 CB 1.297 41 residues pruned to eliminate duplicates Z: 8 12.345 1.817 0.924 0.718 0.857 0.857 CB 1.278 8 residues pruned to eliminate duplicates Z: 24 47.962 2.206 1.183 0.948 0.957 0.739 CB 1.500 24 residues pruned to eliminate duplicates Z: 12 5.316 1.810 0.312 0.291 0.636 0.273 CB 1.341 12 residues pruned to eliminate duplicates Z: 49 57.291 2.271 1.237 0.660 0.938 0.583 CB 1.497 49 residues pruned to eliminate duplicates Z: 18 21.534 1.958 1.085 0.563 0.824 0.647 CB 1.461 18 residues pruned to eliminate duplicates Z: 15 8.503 1.941 0.807 0.289 0.571 0.429 CB 1.437 25 residues pruned to eliminate duplicates Z: 26 42.846 2.106 0.920 0.919 1.000 0.760 CB 1.494 26 residues pruned to eliminate duplicates Z: 8 7.374 1.907 0.117 0.650 0.857 0.571 CB 1.327 Z: 54 47.430 2.218 0.976 0.641 0.887 0.623 CB 1.468 54 residues pruned to eliminate duplicates Z: 12 5.853 1.990 0.520 0.204 0.636 0.545 CB 1.303 12 residues pruned to eliminate duplicates Z: 8 5.949 1.680 0.412 0.482 0.857 0.429 CB 1.126 Z: 25 51.970 2.334 0.959 0.906 1.000 0.750 CB 1.651 25 residues pruned to eliminate duplicates Z: 12 9.778 1.891 0.482 0.468 0.818 0.273 CB 1.328 12 residues pruned to eliminate duplicates Z: 6 4.226 1.472 0.563 0.473 0.800 0.600 CB 1.055 5 residues pruned to eliminate duplicates Z: 20 10.141 1.687 0.654 0.375 0.842 0.526 CB 1.130 20 residues pruned to eliminate duplicates Z: 9 6.336 1.690 0.166 0.552 0.875 0.625 C 1.235 9 residues pruned to eliminate duplicates Z: 28 35.537 2.059 0.786 0.908 0.926 0.741 CA 1.426 28 residues pruned to eliminate duplicates Z: 48 52.868 2.248 1.067 0.705 0.915 0.596 CB 1.505 48 residues pruned to eliminate duplicates Z: 14 8.526 1.728 0.421 0.569 0.769 0.462 CB 1.171 11 residues pruned to eliminate duplicates Z: 51 37.704 2.076 0.896 0.623 0.920 0.660 CB 1.310 51 residues pruned to eliminate duplicates Z: 23 18.192 2.006 0.748 0.462 0.909 0.636 CB 1.265 25 residues pruned to eliminate duplicates Z: 27 47.267 2.141 0.986 0.924 0.962 0.692 CA 1.592 27 residues pruned to eliminate duplicates 7 1.889 1.326 0.106 0.379 0.833 0.500 CB 0.718 ? Z: 12 18.014 1.950 0.587 0.884 0.909 0.909 CB 1.395 12 residues pruned to eliminate duplicates Z: 16 19.134 1.856 0.695 0.844 0.933 0.533 CA 1.253 16 residues pruned to eliminate duplicates Z: 8 3.121 1.418 0.011 0.581 0.714 0.571 CB 1.066 Z: 66 43.796 2.113 0.915 0.605 0.877 0.692 CB 1.386 66 residues pruned to eliminate duplicates Z: 6 3.101 1.596 -0.140 0.652 0.800 0.400 C 1.097 Z: 10 8.415 1.782 0.508 0.408 0.778 0.333 CB 1.478 8 residues pruned to eliminate duplicates Z: 25 47.585 2.190 1.117 0.952 1.000 0.792 CB 1.442 25 residues pruned to eliminate duplicates Z: 11 9.857 1.882 1.033 0.381 0.800 0.500 CB 1.156 11 residues pruned to eliminate duplicates Z: 15 14.990 2.109 0.623 0.514 0.929 0.357 CB 1.243 30 residues pruned to eliminate duplicates Z: 13 3.783 1.659 0.674 0.268 0.583 0.333 CB 0.878 13 residues pruned to eliminate duplicates Z: 45 45.888 2.106 0.996 0.708 0.955 0.591 CB 1.428 45 residues pruned to eliminate duplicates Z: 15 21.137 1.965 0.698 0.825 0.929 0.571 CA 1.376 16 residues pruned to eliminate duplicates Z: 48 61.069 2.313 1.259 0.714 0.936 0.574 CB 1.501 48 residues pruned to eliminate duplicates Z: 6 6.512 1.862 0.679 0.557 0.800 0.600 CB 1.101 Z: 24 29.449 2.121 0.686 0.697 0.957 0.739 CA 1.500 Z: 13 5.519 1.770 0.345 0.329 0.667 0.250 CB 1.211 13 residues pruned to eliminate duplicates Z: 12 6.147 1.640 0.146 0.687 0.818 0.545 CB 1.015 8 residues pruned to eliminate duplicates Z: 26 46.402 2.161 0.943 0.932 1.000 0.720 CB 1.544 26 residues pruned to eliminate duplicates Z: 9 2.758 1.427 0.237 0.250 0.625 0.375 CB 1.179 Z: 16 18.610 1.884 0.545 0.846 1.000 0.867 CA 1.226 16 residues pruned to eliminate duplicates Z: 42 34.267 2.187 0.928 0.531 0.878 0.683 CB 1.403 42 residues pruned to eliminate duplicates Z: 25 40.106 2.173 0.807 0.906 1.000 0.750 CB 1.483 25 residues pruned to eliminate duplicates Z: 9 7.795 1.797 0.537 0.725 0.875 0.750 CB 0.931 Z: 24 52.075 2.183 1.254 0.938 0.957 0.826 CB 1.605 24 residues pruned to eliminate duplicates Z: 26 48.405 2.134 1.013 0.921 1.000 0.840 CA 1.586 26 residues pruned to eliminate duplicates Z: 8 2.553 1.531 -0.074 0.516 0.714 0.286 C 0.938 8 residues pruned to eliminate duplicates Z: 6 5.377 1.905 0.325 0.463 0.800 0.600 CB 1.236 6 residues pruned to eliminate duplicates Z: 19 21.784 2.220 0.683 0.472 0.889 0.500 CB 1.590 19 residues pruned to eliminate duplicates Z: 9 5.868 1.776 -0.040 0.554 0.750 0.625 CB 1.540 Z: 7 7.021 1.678 0.579 0.712 1.000 0.833 CB 0.892 7 residues pruned to eliminate duplicates Z: 27 33.018 2.069 0.690 0.901 0.962 0.808 CB 1.375 27 residues pruned to eliminate duplicates Z: 14 7.479 1.875 0.088 0.468 0.846 0.538 CB 1.243 14 residues pruned to eliminate duplicates Z: 12 6.555 1.598 0.482 0.409 0.818 0.636 CB 1.122 Z: 7 4.131 1.570 -0.196 0.431 1.000 0.500 CB 1.434 6 residues pruned to eliminate duplicates Z: 47 42.969 2.242 1.109 0.644 0.870 0.630 CB 1.347 47 residues pruned to eliminate duplicates Z: 26 47.540 2.090 1.161 0.927 1.000 0.520 CB 1.475 26 residues pruned to eliminate duplicates Z: 8 3.284 1.655 -0.218 0.653 1.000 0.857 CB 0.832 5 residues pruned to eliminate duplicates Z: 7 6.017 1.954 -0.022 0.311 1.000 0.333 CB 1.585 7 residues pruned to eliminate duplicates Z: 6 2.775 1.575 -0.342 0.608 1.000 0.600 CB 1.081 Z: 10 10.275 1.894 0.842 0.572 0.778 0.667 CB 1.178 10 residues pruned to eliminate duplicates Z: 51 50.732 2.269 0.937 0.666 0.920 0.500 CB 1.521 51 residues pruned to eliminate duplicates Z: 61 38.616 1.978 0.816 0.613 0.850 0.667 CB 1.467 61 residues pruned to eliminate duplicates Z: 16 12.324 1.709 0.443 0.633 0.933 0.667 N 1.220 9 residues pruned to eliminate duplicates Z: 16 10.208 1.934 0.497 0.434 0.733 0.267 CB 1.329 16 residues pruned to eliminate duplicates Z: 7 6.111 1.836 -0.202 0.835 1.000 0.833 CB 1.275 7 residues pruned to eliminate duplicates Z: 64 45.287 2.147 0.877 0.618 0.889 0.619 CB 1.425 70 residues pruned to eliminate duplicates Z: 16 18.681 1.870 0.590 0.868 1.000 0.800 CA 1.186 16 residues pruned to eliminate duplicates Z: 13 6.227 1.768 0.345 0.388 0.667 0.417 CB 1.278 13 residues pruned to eliminate duplicates 6 1.107 1.239 0.404 0.337 0.400 0.400 C 0.849 ? Z: 8 11.589 2.077 0.614 0.588 1.000 0.571 CB 1.201 Z: 12 17.788 1.931 0.653 0.593 1.000 0.727 CB 1.537 12 residues pruned to eliminate duplicates Z: 21 17.133 1.881 0.552 0.487 0.900 0.550 CB 1.478 21 residues pruned to eliminate duplicates Z: 49 56.195 2.243 1.121 0.721 0.917 0.729 CB 1.523 49 residues pruned to eliminate duplicates Z: 6 12.180 2.065 1.170 0.656 1.000 0.600 N 1.051 6 residues pruned to eliminate duplicates Z: 6 2.658 1.342 0.227 0.468 0.800 0.600 O 0.932 Z: 12 7.424 1.811 0.212 0.478 0.818 0.455 CB 1.275 12 residues pruned to eliminate duplicates Z: 71 48.917 2.148 0.989 0.573 0.914 0.557 CB 1.395 71 residues pruned to eliminate duplicates Z: 7 2.737 1.564 0.054 0.468 0.833 0.500 CB 0.841 8 residues pruned to eliminate duplicates Z: 10 5.009 1.814 0.712 0.334 0.556 0.444 CA 1.160 10 residues pruned to eliminate duplicates Z: 11 7.778 1.763 0.813 0.363 0.700 0.400 CB 1.273 11 residues pruned to eliminate duplicates Z: 26 55.016 2.155 1.451 0.895 0.960 0.440 CB 1.555 26 residues pruned to eliminate duplicates Z: 13 23.058 2.046 0.811 0.935 0.833 0.500 CB 1.502 14 residues pruned to eliminate duplicates Z: 7 7.111 1.778 -0.154 0.837 1.000 0.833 CB 1.444 9 residues pruned to eliminate duplicates Z: 8 7.486 1.795 0.838 0.329 0.857 0.571 CB 1.207 8 residues pruned to eliminate duplicates Z: 9 14.947 1.927 0.652 0.490 1.000 0.750 CA 1.677 9 residues pruned to eliminate duplicates Z: 8 4.210 1.536 0.588 0.368 0.714 0.571 N 1.052 Z: 8 5.353 1.878 0.219 0.837 0.571 0.429 CB 1.156 8 residues pruned to eliminate duplicates Z: 16 21.541 2.000 0.742 0.590 0.867 0.733 CB 1.690 16 residues pruned to eliminate duplicates Z: 11 6.192 1.814 -0.270 0.632 1.000 0.500 CB 1.306 Z: 41 29.543 2.093 0.770 0.599 0.825 0.575 CB 1.391 41 residues pruned to eliminate duplicates Z: 34 23.332 2.089 0.812 0.405 0.909 0.545 CB 1.305 34 residues pruned to eliminate duplicates Z: 8 2.603 1.708 -0.190 0.493 0.857 0.571 CB 0.835 7 residues pruned to eliminate duplicates Z: 15 7.099 1.608 0.686 0.341 0.714 0.429 N 1.166 15 residues pruned to eliminate duplicates Z: 26 23.632 2.038 0.454 0.668 0.920 0.640 CA 1.484 26 residues pruned to eliminate duplicates Z: 23 49.024 2.162 1.135 0.920 1.000 0.455 CB 1.595 23 residues pruned to eliminate duplicates Z: 21 16.857 2.055 0.700 0.464 0.750 0.700 CB 1.492 21 residues pruned to eliminate duplicates Z: 26 57.217 2.177 1.502 0.890 0.960 0.680 CB 1.575 26 residues pruned to eliminate duplicates Z: 12 21.981 1.909 1.202 0.736 0.909 0.727 CB 1.403 12 residues pruned to eliminate duplicates Z: 11 6.364 1.702 0.569 0.321 0.900 0.500 CB 1.020 11 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 7.489 1.832 0.427 0.694 0.800 0.400 CB 1.341 7 residues pruned to eliminate duplicates Z: 7 3.296 1.489 0.399 0.355 0.833 0.333 CA 0.906 7 residues pruned to eliminate duplicates Z: 23 20.512 2.004 0.938 0.424 0.818 0.500 CB 1.489 23 residues pruned to eliminate duplicates Z: 20 15.607 1.964 0.774 0.383 0.789 0.526 CA 1.473 20 residues pruned to eliminate duplicates Z: 20 16.869 2.045 0.801 0.402 0.842 0.474 CB 1.383 20 residues pruned to eliminate duplicates Z: 83 43.094 2.046 0.922 0.536 0.841 0.573 CB 1.388 83 residues pruned to eliminate duplicates Z: 71 54.031 2.204 0.993 0.609 0.900 0.671 CB 1.474 71 residues pruned to eliminate duplicates Z: 23 20.906 1.988 0.798 0.500 0.955 0.545 CB 1.306 23 residues pruned to eliminate duplicates Z: 75 50.056 2.163 0.931 0.596 0.878 0.662 CB 1.448 75 residues pruned to eliminate duplicates Z: 23 18.039 2.011 0.835 0.427 0.818 0.500 CB 1.374 23 residues pruned to eliminate duplicates Z: 16 9.543 1.850 0.598 0.230 0.733 0.467 CB 1.556 16 residues pruned to eliminate duplicates Z: 66 56.672 2.234 1.030 0.634 0.892 0.692 CB 1.532 66 residues pruned to eliminate duplicates Z: 24 20.757 2.043 0.841 0.457 0.870 0.522 CB 1.382 24 residues pruned to eliminate duplicates Z: 21 16.954 1.984 0.901 0.388 0.850 0.550 CB 1.332 21 residues pruned to eliminate duplicates Z: 17 20.464 1.925 1.078 0.471 0.875 0.625 CA 1.505 17 residues pruned to eliminate duplicates Z: 70 54.814 2.224 1.016 0.603 0.899 0.623 CB 1.485 71 residues pruned to eliminate duplicates Z: 6 5.767 1.723 1.373 0.156 0.800 0.200 CB 1.202 6 residues pruned to eliminate duplicates Z: 36 57.770 2.363 1.191 0.788 0.943 0.657 CB 1.554 36 residues pruned to eliminate duplicates Z: 70 54.031 2.214 0.983 0.611 0.884 0.638 CB 1.508 70 residues pruned to eliminate duplicates Z: 51 53.581 2.288 1.089 0.664 0.900 0.660 CB 1.514 51 residues pruned to eliminate duplicates Z: 54 50.810 2.255 1.007 0.621 0.925 0.585 CB 1.488 54 residues pruned to eliminate duplicates Z: 51 46.384 2.256 0.934 0.615 0.900 0.640 CB 1.498 51 residues pruned to eliminate duplicates Z: 93 62.076 2.248 0.974 0.624 0.859 0.587 CB 1.510 93 residues pruned to eliminate duplicates Z: 51 55.117 2.289 1.145 0.661 0.920 0.600 CB 1.487 51 residues pruned to eliminate duplicates Z: 34 53.286 2.340 1.218 0.750 0.939 0.697 CB 1.522 34 residues pruned to eliminate duplicates Z: 69 54.840 2.227 1.048 0.603 0.897 0.544 CB 1.474 69 residues pruned to eliminate duplicates Z: 51 50.830 2.280 1.091 0.655 0.900 0.700 CB 1.450 51 residues pruned to eliminate duplicates Z: 48 56.345 2.338 1.154 0.681 0.894 0.617 CB 1.546 48 residues pruned to eliminate duplicates Z: 69 55.232 2.223 1.052 0.613 0.912 0.662 CB 1.446 69 residues pruned to eliminate duplicates Z: 45 62.310 2.325 1.182 0.750 0.932 0.659 CB 1.590 45 residues pruned to eliminate duplicates Z: 73 55.373 2.188 1.095 0.592 0.903 0.597 CB 1.444 73 residues pruned to eliminate duplicates Z: 58 52.799 2.216 1.061 0.594 0.895 0.596 CB 1.563 58 residues pruned to eliminate duplicates Z: 51 53.566 2.271 1.073 0.666 0.920 0.780 CB 1.500 51 residues pruned to eliminate duplicates Z: 52 51.682 2.276 1.151 0.655 0.882 0.765 CB 1.450 52 residues pruned to eliminate duplicates Z: 51 55.370 2.293 1.211 0.651 0.920 0.740 CB 1.458 51 residues pruned to eliminate duplicates Z: 67 54.116 2.243 1.000 0.611 0.894 0.712 CB 1.495 67 residues pruned to eliminate duplicates Z: 55 49.637 2.216 1.158 0.611 0.889 0.685 CB 1.431 55 residues pruned to eliminate duplicates Z: 35 37.987 2.163 1.087 0.630 0.882 0.588 CB 1.447 35 residues pruned to eliminate duplicates Z: 35 56.425 2.321 1.211 0.728 0.971 0.735 CB 1.582 35 residues pruned to eliminate duplicates Z: 67 56.844 2.236 1.078 0.616 0.924 0.591 CB 1.461 67 residues pruned to eliminate duplicates Z: 50 58.565 2.312 1.189 0.677 0.918 0.673 CB 1.529 50 residues pruned to eliminate duplicates Z: 50 56.321 2.297 1.165 0.655 0.918 0.673 CB 1.526 50 residues pruned to eliminate duplicates Z: 55 55.394 2.233 1.145 0.659 0.926 0.574 CB 1.467 55 residues pruned to eliminate duplicates Z: 50 59.391 2.258 1.210 0.652 0.959 0.653 CB 1.537 50 residues pruned to eliminate duplicates Z: 49 62.388 2.279 1.176 0.692 0.958 0.729 CB 1.589 49 residues pruned to eliminate duplicates Z: 71 50.118 2.195 1.015 0.557 0.900 0.614 CB 1.424 71 residues pruned to eliminate duplicates Z: 52 56.584 2.271 1.269 0.637 0.922 0.627 CB 1.468 52 residues pruned to eliminate duplicates Z: 47 61.129 2.310 1.286 0.714 0.935 0.652 CB 1.504 47 residues pruned to eliminate duplicates Z: 70 54.453 2.212 1.020 0.599 0.928 0.667 CB 1.439 68 residues pruned to eliminate duplicates Z: 28 57.134 2.289 1.211 0.824 1.000 0.556 CA 1.641 28 residues pruned to eliminate duplicates Z: 72 51.087 2.184 1.100 0.565 0.873 0.648 CB 1.421 72 residues pruned to eliminate duplicates Z: 63 59.378 2.249 1.138 0.638 0.935 0.661 CB 1.473 63 residues pruned to eliminate duplicates Z: 71 54.270 2.198 1.013 0.588 0.900 0.571 CB 1.497 71 residues pruned to eliminate duplicates Z: 74 53.861 2.184 1.014 0.582 0.918 0.589 CB 1.443 74 residues pruned to eliminate duplicates Z: 16 19.390 2.092 1.052 0.466 0.867 0.533 CB 1.394 16 residues pruned to eliminate duplicates Z: 22 19.454 2.030 0.848 0.529 0.810 0.524 CB 1.359 22 residues pruned to eliminate duplicates Z: 84 62.557 2.210 1.075 0.609 0.916 0.627 CB 1.474 84 residues pruned to eliminate duplicates Z: 51 52.654 2.248 1.142 0.670 0.900 0.600 CB 1.469 51 residues pruned to eliminate duplicates Z: 49 63.435 2.282 1.217 0.695 0.917 0.708 CB 1.653 49 residues pruned to eliminate duplicates Z: 52 53.387 2.265 1.168 0.642 0.922 0.608 CB 1.447 52 residues pruned to eliminate duplicates Z: 46 63.877 2.320 1.186 0.726 0.956 0.667 CB 1.602 46 residues pruned to eliminate duplicates Z: 79 58.405 2.189 1.064 0.600 0.897 0.654 CB 1.483 79 residues pruned to eliminate duplicates Z: 68 58.403 2.223 1.167 0.638 0.866 0.567 CB 1.503 68 residues pruned to eliminate duplicates Z: 13 15.014 1.882 1.225 0.553 0.750 0.583 CA 1.310 13 residues pruned to eliminate duplicates Z: 9 18.030 2.120 1.442 0.576 0.875 0.750 CB 1.309 9 residues pruned to eliminate duplicates Z: 50 34.633 2.084 0.768 0.549 0.898 0.510 CB 1.427 50 residues pruned to eliminate duplicates Z: 24 21.306 2.088 0.979 0.467 0.826 0.435 CB 1.346 24 residues pruned to eliminate duplicates Z: 9 14.202 2.098 1.440 0.561 0.750 0.625 CB 1.233 9 residues pruned to eliminate duplicates Z: 39 28.268 2.172 0.903 0.463 0.816 0.447 CB 1.412 39 residues pruned to eliminate duplicates Z: 47 36.586 2.172 0.888 0.584 0.826 0.522 CB 1.468 47 residues pruned to eliminate duplicates Z: 47 35.237 2.204 0.813 0.556 0.804 0.609 CB 1.530 47 residues pruned to eliminate duplicates Z: 47 32.597 2.161 0.737 0.573 0.826 0.587 CB 1.444 47 residues pruned to eliminate duplicates Z: 48 36.147 2.176 0.865 0.580 0.809 0.511 CB 1.487 48 residues pruned to eliminate duplicates Z: 48 38.216 2.164 0.915 0.580 0.851 0.532 CB 1.464 48 residues pruned to eliminate duplicates Z: 75 52.833 2.120 0.901 0.573 0.878 0.608 CB 1.617 102 residues pruned to eliminate duplicates Z: 6 4.367 1.634 0.543 0.263 1.000 0.800 CB 1.015 Z: 7 3.087 1.478 0.220 0.435 0.833 0.500 CB 0.897 Z: 6 2.666 1.767 0.573 0.211 0.800 0.400 CB 0.755 6 residues pruned to eliminate duplicates Z: 33 27.591 2.037 0.935 0.410 0.875 0.438 CB 1.554 40 residues pruned to eliminate duplicates Z: 39 28.813 2.163 0.811 0.508 0.816 0.526 CB 1.451 45 residues pruned to eliminate duplicates Z: 40 26.743 2.126 0.842 0.491 0.744 0.462 CB 1.485 40 residues pruned to eliminate duplicates Z: 47 36.244 2.179 0.913 0.552 0.826 0.565 CB 1.476 47 residues pruned to eliminate duplicates Z: 47 33.058 2.160 0.829 0.543 0.804 0.543 CB 1.470 47 residues pruned to eliminate duplicates Z: 34 28.712 2.128 0.867 0.504 0.848 0.455 CB 1.477 34 residues pruned to eliminate duplicates Z: 40 30.109 2.125 0.762 0.493 0.872 0.462 CB 1.488 40 residues pruned to eliminate duplicates Z: 25 23.374 2.115 0.740 0.553 0.792 0.500 CB 1.555 25 residues pruned to eliminate duplicates Z: 17 16.563 2.005 0.583 0.641 0.875 0.562 CB 1.306 Z: 13 16.179 1.810 0.478 0.901 1.000 0.917 CB 1.247 13 residues pruned to eliminate duplicates Z: 13 21.416 1.802 0.894 0.856 1.000 0.667 CB 1.336 12 residues pruned to eliminate duplicates Z: 15 18.950 1.746 0.641 0.903 1.000 0.714 CB 1.259 15 residues pruned to eliminate duplicates Z: 27 23.169 1.974 0.635 0.564 0.923 0.423 CB 1.434 45 residues pruned to eliminate duplicates Z: 24 27.092 2.137 0.787 0.655 0.826 0.435 CB 1.551 24 residues pruned to eliminate duplicates Z: 41 31.797 2.117 0.891 0.529 0.825 0.425 CB 1.480 41 residues pruned to eliminate duplicates Z: 35 32.061 2.107 0.956 0.555 0.853 0.441 CB 1.483 35 residues pruned to eliminate duplicates Z: 12 21.178 1.866 0.790 0.894 1.000 0.455 CB 1.371 Z: 15 20.261 1.765 0.731 0.875 1.000 0.643 CB 1.289 12 residues pruned to eliminate duplicates Z: 14 21.643 1.859 0.780 0.845 1.000 0.231 CB 1.348 14 residues pruned to eliminate duplicates Z: 25 60.845 2.243 1.322 0.957 1.000 0.708 CB 1.636 25 residues pruned to eliminate duplicates Z: 78 52.883 2.192 1.023 0.538 0.857 0.545 CB 1.528 78 residues pruned to eliminate duplicates Z: 56 66.305 2.278 1.172 0.662 0.927 0.545 CB 1.677 56 residues pruned to eliminate duplicates Z: 38 53.420 2.226 1.400 0.664 0.946 0.622 CB 1.493 38 residues pruned to eliminate duplicates Z: 33 62.672 2.352 1.418 0.748 0.938 0.625 CB 1.665 33 residues pruned to eliminate duplicates Z: 46 69.004 2.255 1.275 0.732 0.978 0.756 CB 1.665 46 residues pruned to eliminate duplicates Z: 57 60.179 2.280 1.107 0.607 0.946 0.589 CB 1.597 57 residues pruned to eliminate duplicates Z: 83 62.534 2.229 1.167 0.569 0.866 0.549 CB 1.544 83 residues pruned to eliminate duplicates Z: 49 62.728 2.300 1.198 0.678 0.958 0.521 CB 1.587 49 residues pruned to eliminate duplicates Z: 61 58.841 2.231 1.084 0.618 0.917 0.633 CB 1.594 61 residues pruned to eliminate duplicates Z: 76 55.512 2.214 1.038 0.574 0.867 0.600 CB 1.527 76 residues pruned to eliminate duplicates Z: 68 54.137 2.209 1.000 0.581 0.866 0.597 CB 1.599 68 residues pruned to eliminate duplicates Z: 77 57.888 2.178 1.063 0.572 0.921 0.592 CB 1.497 77 residues pruned to eliminate duplicates Z: 13 19.043 2.167 0.896 0.540 0.833 0.583 CB 1.544 13 residues pruned to eliminate duplicates Z: 20 18.159 2.113 0.641 0.440 0.842 0.526 CB 1.517 20 residues pruned to eliminate duplicates Z: 16 17.403 2.113 0.722 0.403 0.867 0.467 CB 1.577 16 residues pruned to eliminate duplicates Z: 76 56.883 2.177 1.061 0.577 0.933 0.533 CB 1.457 76 residues pruned to eliminate duplicates Z: 66 48.988 2.111 1.047 0.567 0.908 0.492 CB 1.452 17 residues pruned to eliminate duplicates Z: 7 4.185 1.489 0.277 0.520 0.833 0.667 N 1.057 7 residues pruned to eliminate duplicates Z: 24 26.885 2.206 1.056 0.393 0.870 0.739 CB 1.592 24 residues pruned to eliminate duplicates Z: 72 69.942 2.265 1.236 0.614 0.930 0.746 CB 1.582 72 residues pruned to eliminate duplicates Z: 71 64.972 2.251 1.204 0.608 0.886 0.643 CB 1.595 71 residues pruned to eliminate duplicates Z: 70 66.460 2.273 1.169 0.624 0.899 0.623 CB 1.607 70 residues pruned to eliminate duplicates Z: 23 21.328 2.159 1.087 0.387 0.773 0.636 CB 1.472 23 residues pruned to eliminate duplicates Z: 27 23.831 2.047 1.143 0.377 0.885 0.462 CB 1.373 27 residues pruned to eliminate duplicates Z: 19 21.567 2.147 1.113 0.387 0.833 0.611 CB 1.516 19 residues pruned to eliminate duplicates Z: 21 20.926 1.965 1.128 0.431 0.850 0.650 CA 1.415 21 residues pruned to eliminate duplicates Z: 20 23.187 2.122 1.131 0.423 0.789 0.526 CB 1.615 20 residues pruned to eliminate duplicates Z: 19 22.937 2.102 1.144 0.480 0.889 0.611 CA 1.378 19 residues pruned to eliminate duplicates Z: 17 21.183 2.182 1.200 0.413 0.750 0.688 CA 1.611 17 residues pruned to eliminate duplicates Z: 19 25.484 2.085 1.402 0.414 0.944 0.667 CA 1.390 19 residues pruned to eliminate duplicates Z: 12 22.200 2.169 1.302 0.455 0.818 0.636 CA 1.716 12 residues pruned to eliminate duplicates Z: 20 24.886 2.148 1.357 0.411 0.842 0.632 CB 1.469 20 residues pruned to eliminate duplicates Z: 19 22.849 2.197 1.231 0.441 0.833 0.611 CB 1.401 19 residues pruned to eliminate duplicates Z: 28 25.432 2.048 1.091 0.437 0.815 0.556 CB 1.497 28 residues pruned to eliminate duplicates Z: 27 28.067 2.118 1.183 0.460 0.846 0.654 CB 1.465 27 residues pruned to eliminate duplicates Z: 52 66.804 2.284 1.349 0.682 0.902 0.686 CB 1.635 52 residues pruned to eliminate duplicates Z: 79 65.928 2.284 1.132 0.584 0.885 0.641 CB 1.598 79 residues pruned to eliminate duplicates Z: 91 71.227 2.259 1.038 0.573 0.911 0.522 CB 1.668 91 residues pruned to eliminate duplicates Z: 6 5.004 1.637 1.023 0.216 0.800 0.600 CA 1.180 6 residues pruned to eliminate duplicates Z: 70 61.075 2.240 1.177 0.604 0.899 0.609 CB 1.520 70 residues pruned to eliminate duplicates Z: 72 60.376 2.218 1.127 0.591 0.887 0.577 CB 1.568 72 residues pruned to eliminate duplicates Z: 74 65.780 2.229 1.121 0.588 0.932 0.603 CB 1.607 74 residues pruned to eliminate duplicates Z: 35 63.823 2.316 1.372 0.811 0.971 0.735 CB 1.566 35 residues pruned to eliminate duplicates Z: 89 56.571 2.172 0.973 0.554 0.852 0.557 CB 1.567 89 residues pruned to eliminate duplicates Z: 73 59.833 2.217 1.064 0.597 0.917 0.667 CB 1.533 73 residues pruned to eliminate duplicates Z: 61 65.953 2.240 1.171 0.612 0.950 0.633 CB 1.657 61 residues pruned to eliminate duplicates Z: 29 69.172 2.376 1.398 0.817 0.964 0.786 CB 1.808 29 residues pruned to eliminate duplicates Z: 60 62.692 2.243 1.164 0.623 0.932 0.644 CB 1.607 60 residues pruned to eliminate duplicates Z: 49 57.748 2.210 1.137 0.670 0.917 0.667 CB 1.646 49 residues pruned to eliminate duplicates Z: 69 57.733 2.228 1.135 0.593 0.853 0.588 CB 1.580 69 residues pruned to eliminate duplicates Z: 73 58.760 2.240 1.113 0.580 0.875 0.597 CB 1.548 73 residues pruned to eliminate duplicates Z: 52 66.927 2.296 1.276 0.673 0.941 0.627 CB 1.624 52 residues pruned to eliminate duplicates Z: 75 65.710 2.260 1.165 0.581 0.892 0.581 CB 1.619 75 residues pruned to eliminate duplicates Z: 58 59.819 2.243 1.225 0.621 0.895 0.544 CB 1.583 58 residues pruned to eliminate duplicates Z: 93 60.601 2.203 1.034 0.551 0.870 0.522 CB 1.543 93 residues pruned to eliminate duplicates Z: 49 61.583 2.190 1.245 0.709 0.938 0.583 CB 1.595 49 residues pruned to eliminate duplicates Z: 57 62.340 2.259 1.346 0.619 0.875 0.589 CB 1.606 57 residues pruned to eliminate duplicates Z: 81 60.146 2.246 1.109 0.551 0.838 0.475 CB 1.612 67 residues pruned to eliminate duplicates Z: 6 5.431 1.675 1.088 0.357 0.800 0.400 CA 1.012 Z: 13 21.353 2.118 0.731 0.575 0.917 0.500 CB 1.707 19 residues pruned to eliminate duplicates Z: 10 16.846 2.295 0.915 0.526 0.778 0.444 CB 1.602 10 residues pruned to eliminate duplicates Z: 57 55.397 2.247 1.161 0.633 0.911 0.446 CB 1.477 57 residues pruned to eliminate duplicates Z: 13 21.047 2.044 0.932 0.608 0.833 0.500 CA 1.666 13 residues pruned to eliminate duplicates Z: 15 18.020 2.115 0.745 0.467 0.857 0.500 CB 1.573 15 residues pruned to eliminate duplicates Z: 11 23.267 2.258 1.136 0.597 0.800 0.700 CB 1.738 11 residues pruned to eliminate duplicates Z: 28 26.480 2.117 0.837 0.511 0.778 0.481 CB 1.667 22 residues pruned to eliminate duplicates Z: 22 22.820 2.102 0.778 0.569 0.857 0.476 CB 1.454 22 residues pruned to eliminate duplicates Z: 17 21.520 2.050 1.068 0.538 0.812 0.500 CB 1.505 17 residues pruned to eliminate duplicates Z: 21 25.380 2.164 0.903 0.527 0.800 0.550 CB 1.677 21 residues pruned to eliminate duplicates Z: 14 14.397 2.063 0.863 0.414 0.692 0.538 CA 1.641 14 residues pruned to eliminate duplicates Z: 12 17.823 2.186 0.772 0.478 0.909 0.455 CB 1.561 12 residues pruned to eliminate duplicates Z: 18 24.175 2.120 0.992 0.514 0.824 0.588 CB 1.663 19 residues pruned to eliminate duplicates Z: 27 26.367 2.065 1.029 0.513 0.846 0.577 CB 1.440 27 residues pruned to eliminate duplicates Z: 15 20.900 2.064 1.176 0.409 0.857 0.429 CB 1.596 20 residues pruned to eliminate duplicates Z: 7 3.899 1.664 0.734 0.194 0.667 0.000 N 1.192 7 residues pruned to eliminate duplicates Z: 26 24.947 2.172 0.475 0.652 0.840 0.560 CA 1.609 26 residues pruned to eliminate duplicates Z: 35 38.107 2.220 0.745 0.635 0.882 0.618 CA 1.684 58 residues pruned to eliminate duplicates Z: 25 25.197 2.195 0.736 0.495 0.833 0.458 CB 1.628 25 residues pruned to eliminate duplicates Z: 22 24.052 2.192 0.683 0.475 0.905 0.524 CB 1.613 22 residues pruned to eliminate duplicates Z: 23 31.359 2.237 0.745 0.638 0.909 0.591 CA 1.656 Z: 15 16.788 2.050 0.523 0.721 0.857 0.786 CA 1.373 15 residues pruned to eliminate duplicates Z: 36 29.638 2.168 0.675 0.507 0.857 0.543 CB 1.598 59 residues pruned to eliminate duplicates Z: 22 24.113 2.216 0.543 0.594 0.857 0.619 CA 1.641 Z: 13 21.223 2.047 0.382 0.891 1.000 0.833 CA 1.556 12 residues pruned to eliminate duplicates Z: 12 20.154 2.080 0.449 0.912 1.000 0.818 CA 1.428 11 residues pruned to eliminate duplicates Z: 12 20.017 2.108 0.398 0.934 1.000 0.818 CA 1.428 12 residues pruned to eliminate duplicates Z: 19 25.029 2.055 0.684 0.735 0.944 0.667 CA 1.462 18 residues pruned to eliminate duplicates Z: 13 21.969 2.025 0.394 0.923 1.000 0.667 CA 1.579 13 residues pruned to eliminate duplicates Z: 48 44.208 2.196 0.955 0.605 0.851 0.532 CB 1.598 72 residues pruned to eliminate duplicates Z: 15 25.030 2.056 0.839 0.873 0.929 0.714 CA 1.388 15 residues pruned to eliminate duplicates Z: 33 32.376 2.090 0.923 0.592 0.812 0.562 CB 1.606 33 residues pruned to eliminate duplicates Z: 17 29.091 2.131 0.894 0.774 0.938 0.562 CA 1.509 17 residues pruned to eliminate duplicates Z: 24 31.453 2.112 0.781 0.718 0.957 0.478 CB 1.496 25 residues pruned to eliminate duplicates Z: 6 9.972 2.145 1.041 0.265 1.000 0.200 CB 1.332 Z: 6 7.450 1.888 1.151 0.294 0.800 0.600 CA 1.291 12 residues pruned to eliminate duplicates Z: 53 52.782 2.204 0.968 0.636 0.923 0.769 CB 1.610 53 residues pruned to eliminate duplicates Z: 58 51.528 2.218 0.997 0.609 0.877 0.719 CB 1.584 58 residues pruned to eliminate duplicates Z: 32 54.394 2.256 1.023 0.834 0.968 0.774 CA 1.657 32 residues pruned to eliminate duplicates Z: 49 55.763 2.196 1.108 0.667 0.917 0.688 CB 1.625 49 residues pruned to eliminate duplicates Z: 60 49.499 2.132 0.917 0.632 0.915 0.678 CB 1.523 60 residues pruned to eliminate duplicates Z: 61 51.306 2.154 1.007 0.617 0.917 0.683 CB 1.497 61 residues pruned to eliminate duplicates Z: 48 56.114 2.241 1.057 0.696 0.936 0.702 CB 1.586 48 residues pruned to eliminate duplicates Z: 36 50.633 2.238 1.111 0.741 0.943 0.657 CB 1.547 36 residues pruned to eliminate duplicates Z: 54 53.238 2.185 0.988 0.650 0.943 0.660 CB 1.551 54 residues pruned to eliminate duplicates Z: 46 59.246 2.253 1.028 0.737 0.956 0.756 CB 1.636 46 residues pruned to eliminate duplicates Z: 50 58.290 2.237 1.097 0.685 0.939 0.755 CB 1.596 50 residues pruned to eliminate duplicates Z: 53 51.890 2.172 1.007 0.629 0.923 0.673 CB 1.584 53 residues pruned to eliminate duplicates Z: 58 50.502 2.194 1.022 0.637 0.877 0.737 CB 1.511 58 residues pruned to eliminate duplicates Z: 58 53.708 2.238 0.951 0.627 0.912 0.614 CB 1.584 58 residues pruned to eliminate duplicates Z: 59 52.555 2.162 0.914 0.634 0.931 0.638 CB 1.579 59 residues pruned to eliminate duplicates Z: 72 54.697 2.193 0.930 0.618 0.887 0.606 CB 1.545 72 residues pruned to eliminate duplicates Z: 53 53.438 2.219 0.975 0.651 0.923 0.712 CB 1.591 53 residues pruned to eliminate duplicates Z: 49 49.409 2.239 0.959 0.655 0.896 0.625 CB 1.572 49 residues pruned to eliminate duplicates Z: 59 52.482 2.162 0.931 0.617 0.948 0.655 CB 1.558 59 residues pruned to eliminate duplicates Z: 51 53.452 2.214 1.048 0.679 0.900 0.720 CB 1.571 51 residues pruned to eliminate duplicates Z: 38 44.544 2.195 1.114 0.663 0.919 0.703 CB 1.476 38 residues pruned to eliminate duplicates Z: 37 45.109 2.161 0.928 0.729 0.972 0.667 CB 1.510 37 residues pruned to eliminate duplicates Z: 53 54.101 2.211 0.990 0.660 0.942 0.712 CB 1.560 53 residues pruned to eliminate duplicates Z: 37 48.252 2.216 1.097 0.729 0.972 0.500 CB 1.448 37 residues pruned to eliminate duplicates Z: 48 58.983 2.254 0.988 0.740 0.979 0.702 CB 1.583 48 residues pruned to eliminate duplicates Z: 53 51.900 2.200 0.938 0.681 0.923 0.712 CB 1.549 53 residues pruned to eliminate duplicates Z: 54 51.531 2.188 0.912 0.650 0.943 0.660 CB 1.559 54 residues pruned to eliminate duplicates Z: 56 52.701 2.164 0.985 0.645 0.927 0.709 CB 1.559 56 residues pruned to eliminate duplicates Z: 39 23.870 2.071 0.781 0.476 0.789 0.579 CB 1.362 39 residues pruned to eliminate duplicates Z: 51 56.300 2.212 1.015 0.657 0.940 0.760 CB 1.642 51 residues pruned to eliminate duplicates Z: 17 24.145 2.136 0.995 0.472 0.875 0.688 CB 1.666 17 residues pruned to eliminate duplicates Z: 59 54.124 2.222 0.934 0.658 0.931 0.603 CB 1.535 59 residues pruned to eliminate duplicates Z: 52 49.665 2.190 1.036 0.644 0.882 0.627 CB 1.546 52 residues pruned to eliminate duplicates Z: 21 21.722 2.134 0.804 0.429 0.850 0.550 CB 1.598 21 residues pruned to eliminate duplicates Z: 16 20.589 2.197 0.883 0.475 0.800 0.600 CB 1.647 16 residues pruned to eliminate duplicates Z: 17 19.196 2.024 0.952 0.463 0.812 0.562 CB 1.552 17 residues pruned to eliminate duplicates Z: 58 50.210 2.161 0.928 0.637 0.947 0.667 CB 1.482 58 residues pruned to eliminate duplicates Z: 52 53.201 2.174 1.033 0.659 0.922 0.686 CB 1.578 52 residues pruned to eliminate duplicates Z: 10 5.676 1.730 0.416 0.164 0.889 0.333 N 1.309 10 residues pruned to eliminate duplicates Z: 16 24.285 2.197 0.899 0.503 0.867 0.533 CB 1.730 16 residues pruned to eliminate duplicates Z: 35 38.232 2.028 0.856 0.657 0.971 0.706 CB 1.551 35 residues pruned to eliminate duplicates Z: 11 14.556 1.997 0.838 0.605 0.800 0.600 CB 1.418 11 residues pruned to eliminate duplicates Z: 11 18.998 2.119 0.931 0.604 0.800 0.600 CB 1.663 11 residues pruned to eliminate duplicates Z: 11 13.653 2.022 0.872 0.546 0.700 0.700 CB 1.557 11 residues pruned to eliminate duplicates Z: 24 19.983 2.075 0.730 0.570 0.783 0.652 CB 1.387 24 residues pruned to eliminate duplicates Z: 11 13.865 2.077 0.629 0.521 0.800 0.800 CB 1.586 11 residues pruned to eliminate duplicates Z: 10 12.741 2.105 0.647 0.622 0.667 0.667 CB 1.637 10 residues pruned to eliminate duplicates Z: 12 16.927 2.105 0.853 0.589 0.818 0.636 CA 1.469 12 residues pruned to eliminate duplicates Z: 23 25.648 2.228 0.975 0.532 0.773 0.727 CB 1.559 23 residues pruned to eliminate duplicates Z: 25 27.250 2.192 0.899 0.559 0.833 0.667 CB 1.514 25 residues pruned to eliminate duplicates Z: 16 12.580 2.018 0.625 0.401 0.800 0.333 CB 1.375 16 residues pruned to eliminate duplicates Z: 40 31.263 2.100 0.772 0.559 0.897 0.487 CB 1.416 41 residues pruned to eliminate duplicates Z: 9 4.849 1.485 0.778 0.525 1.000 0.375 CB 0.634 9 residues pruned to eliminate duplicates Z: 41 32.103 2.123 0.797 0.576 0.900 0.550 CB 1.374 41 residues pruned to eliminate duplicates Z: 41 27.207 2.152 0.625 0.483 0.825 0.625 CB 1.516 41 residues pruned to eliminate duplicates Z: 24 20.340 2.028 0.736 0.519 0.870 0.522 CB 1.359 24 residues pruned to eliminate duplicates Z: 14 11.543 2.052 0.795 0.533 0.769 0.538 CB 1.094 14 residues pruned to eliminate duplicates Z: 11 20.959 2.150 0.781 0.606 1.000 0.500 CB 1.566 11 residues pruned to eliminate duplicates Z: 17 18.669 2.079 0.895 0.492 0.938 0.375 CB 1.274 17 residues pruned to eliminate duplicates Z: 16 16.770 2.111 0.803 0.510 0.867 0.600 CB 1.299 16 residues pruned to eliminate duplicates Z: 17 15.628 2.000 0.670 0.508 0.875 0.625 CB 1.326 17 residues pruned to eliminate duplicates Z: 35 34.669 2.153 0.689 0.633 0.971 0.529 CB 1.487 35 residues pruned to eliminate duplicates Z: 7 3.083 1.777 0.668 0.224 0.833 0.000 CB 0.703 7 residues pruned to eliminate duplicates Z: 47 35.000 2.155 0.751 0.589 0.870 0.522 CB 1.444 47 residues pruned to eliminate duplicates Z: 30 19.713 1.983 0.493 0.585 0.828 0.345 CB 1.377 30 residues pruned to eliminate duplicates Z: 25 24.443 2.125 0.569 0.640 0.875 0.292 CB 1.499 25 residues pruned to eliminate duplicates Z: 41 33.672 2.099 0.747 0.578 0.950 0.625 CB 1.417 41 residues pruned to eliminate duplicates Z: 26 26.811 2.101 0.581 0.642 1.000 0.440 CB 1.414 25 residues pruned to eliminate duplicates Z: 7 4.639 1.602 0.772 0.436 0.833 0.500 CA 0.855 Z: 6 3.404 1.651 0.573 0.471 0.800 0.600 CA 0.755 4 residues pruned to eliminate duplicates Z: 17 18.150 1.997 0.429 0.755 0.875 0.688 CA 1.448 26 residues pruned to eliminate duplicates Z: 14 25.317 2.059 0.705 0.889 1.000 0.769 CA 1.440 14 residues pruned to eliminate duplicates Z: 16 21.214 1.904 0.671 0.857 1.000 0.600 CA 1.269 16 residues pruned to eliminate duplicates Z: 25 26.302 2.124 0.758 0.651 0.875 0.625 CB 1.427 25 residues pruned to eliminate duplicates Z: 27 24.672 2.035 0.617 0.569 0.923 0.231 CB 1.490 27 residues pruned to eliminate duplicates Z: 64 39.298 2.146 0.812 0.537 0.825 0.571 CB 1.488 64 residues pruned to eliminate duplicates Z: 24 32.513 2.127 0.834 0.702 1.000 0.652 CB 1.445 24 residues pruned to eliminate duplicates Z: 57 47.094 2.196 0.866 0.619 0.911 0.607 CB 1.508 57 residues pruned to eliminate duplicates Z: 25 31.601 2.113 0.713 0.698 1.000 0.583 CB 1.488 25 residues pruned to eliminate duplicates Z: 27 24.629 2.088 0.711 0.613 0.846 0.538 CB 1.435 27 residues pruned to eliminate duplicates Z: 42 28.417 2.079 0.724 0.584 0.829 0.488 CB 1.377 42 residues pruned to eliminate duplicates Z: 25 29.241 2.117 0.792 0.654 0.958 0.583 CB 1.424 25 residues pruned to eliminate duplicates Z: 33 32.476 2.106 0.736 0.580 0.938 0.531 CB 1.552 33 residues pruned to eliminate duplicates Z: 26 24.936 2.052 0.608 0.641 0.960 0.600 CB 1.380 26 residues pruned to eliminate duplicates Z: 24 13.397 1.892 0.505 0.389 0.870 0.565 CB 1.269 24 residues pruned to eliminate duplicates Z: 14 9.990 1.847 0.411 0.468 0.769 0.538 CB 1.429 14 residues pruned to eliminate duplicates Z: 14 11.757 1.846 0.436 0.500 0.846 0.692 CB 1.454 13 residues pruned to eliminate duplicates 6 1.628 1.343 0.078 0.379 0.800 0.200 CB 0.716 ? Z: 6 3.634 1.618 0.232 0.395 1.000 0.600 CB 0.910 6 residues pruned to eliminate duplicates Z: 21 15.092 1.897 0.505 0.489 0.950 0.550 CB 1.259 21 residues pruned to eliminate duplicates Z: 58 43.288 2.064 0.882 0.634 0.912 0.649 CB 1.427 58 residues pruned to eliminate duplicates Z: 8 6.305 1.891 0.400 0.341 0.857 0.571 CA 1.248 8 residues pruned to eliminate duplicates Z: 56 46.612 2.125 0.920 0.652 0.927 0.618 CB 1.442 56 residues pruned to eliminate duplicates Z: 55 47.578 2.112 0.943 0.659 0.944 0.630 CB 1.442 55 residues pruned to eliminate duplicates Z: 54 39.385 2.085 0.884 0.614 0.906 0.698 CB 1.365 54 residues pruned to eliminate duplicates Z: 73 42.344 2.042 0.807 0.592 0.917 0.611 CB 1.351 73 residues pruned to eliminate duplicates Z: 6 3.161 1.501 0.349 0.428 1.000 0.600 CB 0.752 6 residues pruned to eliminate duplicates Z: 49 46.547 2.140 0.960 0.698 0.958 0.708 CB 1.395 49 residues pruned to eliminate duplicates Z: 48 46.280 2.122 0.946 0.688 0.936 0.553 CB 1.470 48 residues pruned to eliminate duplicates Z: 36 47.766 2.211 1.096 0.744 0.971 0.714 CB 1.442 36 residues pruned to eliminate duplicates Z: 62 40.823 2.047 0.820 0.606 0.902 0.623 CB 1.407 62 residues pruned to eliminate duplicates Z: 68 44.445 2.088 0.842 0.605 0.925 0.582 CB 1.380 68 residues pruned to eliminate duplicates Z: 77 55.455 2.113 0.862 0.663 0.908 0.684 CB 1.531 77 residues pruned to eliminate duplicates Z: 42 43.154 2.165 0.976 0.694 0.951 0.756 CB 1.388 42 residues pruned to eliminate duplicates Z: 47 48.661 2.141 0.924 0.726 0.935 0.783 CB 1.520 47 residues pruned to eliminate duplicates Z: 55 38.854 2.084 0.788 0.618 0.907 0.667 CB 1.399 55 residues pruned to eliminate duplicates Z: 77 53.242 2.105 0.873 0.646 0.895 0.658 CB 1.511 77 residues pruned to eliminate duplicates Z: 47 38.261 2.089 0.899 0.630 0.935 0.696 CB 1.347 47 residues pruned to eliminate duplicates Z: 73 43.116 2.001 0.880 0.571 0.903 0.639 CB 1.398 73 residues pruned to eliminate duplicates Z: 68 42.332 2.036 0.890 0.612 0.910 0.672 CB 1.327 68 residues pruned to eliminate duplicates Z: 51 44.780 2.102 0.986 0.639 0.920 0.620 CB 1.447 51 residues pruned to eliminate duplicates Z: 55 43.028 2.105 0.871 0.643 0.926 0.667 CB 1.405 55 residues pruned to eliminate duplicates Z: 58 41.709 2.074 0.831 0.617 0.930 0.737 CB 1.401 58 residues pruned to eliminate duplicates Z: 72 39.937 2.034 0.821 0.557 0.901 0.634 CB 1.343 72 residues pruned to eliminate duplicates Z: 36 43.818 2.190 0.998 0.733 0.971 0.743 CB 1.413 36 residues pruned to eliminate duplicates Z: 73 40.440 2.030 0.790 0.537 0.889 0.542 CB 1.423 73 residues pruned to eliminate duplicates Z: 37 45.903 2.221 1.075 0.690 0.972 0.722 CB 1.435 37 residues pruned to eliminate duplicates Z: 67 41.636 2.076 0.875 0.581 0.894 0.636 CB 1.363 67 residues pruned to eliminate duplicates Z: 36 44.734 2.208 1.027 0.732 0.971 0.686 CB 1.412 36 residues pruned to eliminate duplicates Z: 36 44.806 2.204 1.017 0.742 0.971 0.657 CB 1.412 36 residues pruned to eliminate duplicates Z: 56 48.136 2.105 0.928 0.638 0.964 0.618 CB 1.458 56 residues pruned to eliminate duplicates Z: 42 45.541 2.176 1.038 0.712 0.951 0.610 CB 1.391 42 residues pruned to eliminate duplicates Z: 42 39.715 2.160 1.004 0.654 0.902 0.585 CB 1.375 42 residues pruned to eliminate duplicates Z: 41 43.868 2.208 0.972 0.704 0.950 0.675 CB 1.392 41 residues pruned to eliminate duplicates Z: 58 41.532 2.047 0.957 0.613 0.912 0.684 CB 1.352 58 residues pruned to eliminate duplicates Z: 51 43.921 2.127 0.974 0.650 0.920 0.660 CB 1.398 51 residues pruned to eliminate duplicates Z: 49 48.463 2.140 0.950 0.684 0.958 0.729 CB 1.477 49 residues pruned to eliminate duplicates Z: 58 45.136 2.064 0.937 0.634 0.930 0.614 CB 1.418 58 residues pruned to eliminate duplicates Z: 55 45.985 2.127 0.957 0.649 0.907 0.648 CB 1.442 55 residues pruned to eliminate duplicates Z: 56 46.962 2.120 0.930 0.643 0.927 0.745 CB 1.460 56 residues pruned to eliminate duplicates Z: 53 50.816 2.135 1.013 0.682 0.942 0.673 CB 1.472 70 residues pruned to eliminate duplicates Z: 6 4.709 1.691 0.553 0.275 0.800 0.600 CA 1.293 6 residues pruned to eliminate duplicates Z: 68 42.616 2.064 0.781 0.601 0.925 0.642 CB 1.389 68 residues pruned to eliminate duplicates Z: 48 48.594 2.160 1.071 0.669 0.936 0.660 CB 1.448 48 residues pruned to eliminate duplicates Z: 12 9.611 1.883 0.317 0.406 0.909 0.364 CB 1.419 12 residues pruned to eliminate duplicates Z: 23 19.548 2.027 0.591 0.481 0.818 0.455 CB 1.611 23 residues pruned to eliminate duplicates Z: 76 45.108 2.074 0.893 0.580 0.867 0.573 CB 1.418 76 residues pruned to eliminate duplicates Z: 23 17.267 2.045 0.392 0.422 0.818 0.500 CA 1.715 23 residues pruned to eliminate duplicates Z: 106 45.240 2.038 0.786 0.516 0.876 0.533 CB 1.364 91 residues pruned to eliminate duplicates Z: 7 3.783 1.511 0.464 0.356 0.833 0.667 N 0.979 7 residues pruned to eliminate duplicates Z: 62 47.608 2.093 0.915 0.664 0.918 0.738 CB 1.423 62 residues pruned to eliminate duplicates Z: 20 20.098 2.108 0.700 0.492 0.789 0.579 CB 1.644 20 residues pruned to eliminate duplicates Z: 24 26.488 2.060 0.678 0.593 0.913 0.565 CB 1.600 24 residues pruned to eliminate duplicates Z: 14 12.396 1.753 1.005 0.534 0.769 0.615 CB 1.230 14 residues pruned to eliminate duplicates Z: 49 35.155 2.115 0.714 0.599 0.833 0.500 CB 1.528 49 residues pruned to eliminate duplicates Z: 12 22.682 2.119 1.203 0.592 0.818 0.545 CB 1.640 12 residues pruned to eliminate duplicates Z: 16 22.751 2.174 0.786 0.548 0.867 0.533 CA 1.665 16 residues pruned to eliminate duplicates Z: 40 37.328 2.219 0.690 0.600 0.872 0.564 CA 1.662 40 residues pruned to eliminate duplicates Z: 13 20.414 2.123 1.059 0.562 0.833 0.417 CB 1.523 13 residues pruned to eliminate duplicates Z: 48 34.389 2.140 0.710 0.556 0.851 0.553 CB 1.525 48 residues pruned to eliminate duplicates Z: 24 26.849 2.129 0.993 0.558 0.826 0.478 CB 1.509 24 residues pruned to eliminate duplicates Z: 35 34.677 2.204 0.864 0.609 0.794 0.588 CA 1.644 35 residues pruned to eliminate duplicates Z: 47 37.184 2.172 0.687 0.574 0.848 0.609 CB 1.644 47 residues pruned to eliminate duplicates Z: 48 40.455 2.177 0.748 0.609 0.851 0.574 CB 1.644 48 residues pruned to eliminate duplicates Z: 35 36.034 2.208 0.628 0.613 0.912 0.647 CA 1.694 35 residues pruned to eliminate duplicates Z: 35 37.147 2.217 0.744 0.638 0.853 0.618 CA 1.698 35 residues pruned to eliminate duplicates Z: 12 16.031 2.004 0.994 0.504 0.727 0.545 CA 1.657 12 residues pruned to eliminate duplicates Z: 17 18.585 2.073 0.841 0.441 0.812 0.500 CB 1.593 17 residues pruned to eliminate duplicates Z: 12 18.867 2.145 0.837 0.522 0.909 0.545 CA 1.553 12 residues pruned to eliminate duplicates Z: 25 20.939 2.165 0.638 0.478 0.875 0.500 CB 1.408 25 residues pruned to eliminate duplicates Z: 26 31.530 2.259 0.800 0.633 0.880 0.520 CB 1.555 Z: 7 7.018 1.591 0.627 0.480 1.000 0.333 CB 1.130 7 residues pruned to eliminate duplicates Z: 26 29.146 2.261 0.668 0.655 0.880 0.600 CB 1.521 26 residues pruned to eliminate duplicates Z: 21 27.479 2.215 0.839 0.665 0.900 0.600 CB 1.439 21 residues pruned to eliminate duplicates Z: 35 39.386 2.223 0.809 0.619 0.912 0.559 CB 1.646 61 residues pruned to eliminate duplicates Z: 14 19.760 2.264 0.351 0.790 0.846 0.846 CB 1.642 14 residues pruned to eliminate duplicates Z: 35 38.636 2.250 0.701 0.629 0.912 0.676 CB 1.681 35 residues pruned to eliminate duplicates Z: 26 31.935 2.257 0.748 0.658 0.920 0.640 CB 1.519 26 residues pruned to eliminate duplicates Z: 26 29.819 2.269 0.623 0.656 0.880 0.680 CB 1.591 26 residues pruned to eliminate duplicates Z: 25 32.330 2.337 0.599 0.665 0.958 0.625 CB 1.583 25 residues pruned to eliminate duplicates Z: 37 40.730 2.304 0.888 0.570 0.889 0.528 CB 1.640 37 residues pruned to eliminate duplicates Z: 26 32.479 2.274 0.656 0.604 0.960 0.680 CA 1.628 26 residues pruned to eliminate duplicates Z: 26 32.376 2.316 0.639 0.641 0.920 0.600 CB 1.624 26 residues pruned to eliminate duplicates Z: 24 34.589 2.411 0.688 0.653 0.913 0.565 CB 1.684 24 residues pruned to eliminate duplicates Z: 36 38.564 2.288 0.759 0.573 0.914 0.600 CB 1.650 36 residues pruned to eliminate duplicates Z: 28 34.395 2.163 0.989 0.618 0.889 0.370 CB 1.548 26 residues pruned to eliminate duplicates Z: 15 33.171 2.254 0.947 0.906 0.929 0.429 CB 1.548 16 residues pruned to eliminate duplicates Z: 13 42.668 2.333 1.254 0.945 1.000 0.917 CB 1.622 13 residues pruned to eliminate duplicates 418 residues left after pruning, divided into chains as follows: A: 15 B: 15 C: 65 D: 25 E: 185 F: 93 G: 20 CC for partial structure against native data = 39.84 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.483, Connect. = 0.711 for dens.mod. cycle 1 = 0.300, Contrast = 0.557, Connect. = 0.742 for dens.mod. cycle 2 = 0.300, Contrast = 0.661, Connect. = 0.773 for dens.mod. cycle 3 = 0.300, Contrast = 0.672, Connect. = 0.775 for dens.mod. cycle 4 = 0.300, Contrast = 0.684, Connect. = 0.777 for dens.mod. cycle 5 = 0.300, Contrast = 0.689, Connect. = 0.779 for dens.mod. cycle 6 = 0.300, Contrast = 0.695, Connect. = 0.781 for dens.mod. cycle 7 = 0.300, Contrast = 0.697, Connect. = 0.782 for dens.mod. cycle 8 = 0.300, Contrast = 0.699, Connect. = 0.783 for dens.mod. cycle 9 = 0.300, Contrast = 0.699, Connect. = 0.783 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2466 peaks > 0.5 sigma used to seed fragment search Space for about 662 unique residues taking solvent into account 577 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 24.246 2.177 1.039 0.464 0.923 0.538 CB 1.702 B: 11 17.803 2.226 1.102 0.516 0.700 0.500 CA 1.692 2 residues pruned to eliminate duplicates C: 82 64.013 2.230 1.120 0.620 0.852 0.642 CB 1.577 13 residues pruned to eliminate duplicates D: 15 15.255 2.055 0.637 0.476 0.857 0.357 CB 1.449 15 residues pruned to eliminate duplicates E: 35 30.372 2.103 0.651 0.590 0.882 0.529 CB 1.560 F: 15 27.737 2.249 0.668 0.896 0.929 0.714 CB 1.525 G: 20 14.694 2.236 0.615 0.401 0.684 0.421 CB 1.515 7 residues pruned to eliminate duplicates H: 35 27.594 2.089 0.509 0.578 0.882 0.559 CA 1.580 35 residues pruned to eliminate duplicates I: 19 26.689 2.169 1.116 0.558 0.722 0.556 CB 1.793 19 residues pruned to eliminate duplicates J: 38 29.572 2.102 0.588 0.586 0.865 0.514 CB 1.551 37 residues pruned to eliminate duplicates K: 15 26.148 2.226 0.452 0.926 1.000 0.857 CB 1.516 15 residues pruned to eliminate duplicates L: 50 60.765 2.291 1.153 0.683 0.898 0.571 CB 1.657 50 residues pruned to eliminate duplicates M: 12 18.509 2.148 0.985 0.562 0.818 0.636 CB 1.506 12 residues pruned to eliminate duplicates N: 27 55.754 2.160 1.193 0.933 1.000 0.885 CA 1.611 27 residues pruned to eliminate duplicates O: 27 48.565 2.148 1.243 0.919 0.923 0.731 CB 1.509 27 residues pruned to eliminate duplicates P: 18 17.354 2.194 0.703 0.407 0.765 0.588 CB 1.624 Q: 14 25.558 2.243 0.753 0.901 0.846 0.769 CB 1.521 14 residues pruned to eliminate duplicates R: 20 36.993 2.507 0.631 0.764 0.947 0.789 CB 1.733 20 residues pruned to eliminate duplicates S: 22 32.712 2.249 1.293 0.557 0.810 0.667 CB 1.618 23 residues pruned to eliminate duplicates T: 9 15.500 2.486 0.568 0.565 0.875 0.500 CB 1.508 9 residues pruned to eliminate duplicates U: 31 26.126 2.184 0.625 0.575 0.833 0.500 CB 1.500 31 residues pruned to eliminate duplicates V: 22 21.794 2.237 0.960 0.410 0.762 0.524 CB 1.565 22 residues pruned to eliminate duplicates W: 20 23.109 2.098 0.875 0.415 0.947 0.632 CB 1.554 20 residues pruned to eliminate duplicates X: 64 60.095 2.243 1.110 0.583 0.889 0.556 CB 1.662 64 residues pruned to eliminate duplicates Y: 73 52.579 2.195 0.954 0.594 0.889 0.569 CB 1.486 Z: 12 17.794 2.094 0.729 0.618 0.818 0.727 CB 1.619 Z: 14 24.623 2.338 0.505 0.898 0.923 0.692 CB 1.504 14 residues pruned to eliminate duplicates Z: 37 21.682 1.877 0.698 0.493 0.861 0.500 CB 1.326 12 residues pruned to eliminate duplicates Z: 6 15.239 2.175 0.819 0.497 1.000 0.800 C 1.727 6 residues pruned to eliminate duplicates Z: 26 51.891 2.157 1.152 0.926 1.000 0.840 CA 1.568 26 residues pruned to eliminate duplicates Z: 13 14.570 2.247 0.799 0.433 0.750 0.500 CB 1.487 Z: 26 18.566 2.090 0.502 0.480 0.840 0.360 CB 1.437 26 residues pruned to eliminate duplicates Z: 73 69.675 2.290 1.122 0.598 0.917 0.583 CB 1.680 78 residues pruned to eliminate duplicates Z: 51 57.657 2.271 1.094 0.703 0.920 0.740 CB 1.548 51 residues pruned to eliminate duplicates Z: 10 20.593 2.234 1.251 0.640 0.778 0.667 CB 1.539 10 residues pruned to eliminate duplicates Z: 23 55.830 2.335 1.150 0.915 1.000 0.636 CA 1.676 23 residues pruned to eliminate duplicates Z: 67 61.758 2.273 1.165 0.638 0.848 0.500 CB 1.599 67 residues pruned to eliminate duplicates Z: 41 23.734 2.027 0.503 0.537 0.825 0.475 CB 1.440 41 residues pruned to eliminate duplicates Z: 25 51.312 2.228 1.017 0.916 1.000 0.875 CA 1.646 25 residues pruned to eliminate duplicates Z: 15 29.092 2.236 0.828 0.892 0.929 0.786 CB 1.471 15 residues pruned to eliminate duplicates Z: 27 53.351 2.255 1.218 0.837 0.923 0.654 CA 1.695 27 residues pruned to eliminate duplicates Z: 27 46.718 2.155 1.076 0.917 1.000 0.731 CB 1.445 27 residues pruned to eliminate duplicates Z: 11 12.705 2.035 0.667 0.587 0.800 0.500 CB 1.361 11 residues pruned to eliminate duplicates Z: 35 26.066 2.082 1.014 0.503 0.794 0.529 CB 1.339 13 residues pruned to eliminate duplicates Z: 21 23.010 2.114 1.084 0.490 0.750 0.500 CB 1.573 21 residues pruned to eliminate duplicates Z: 42 29.873 2.133 0.679 0.564 0.902 0.415 CB 1.356 Z: 12 21.757 2.312 0.799 0.547 0.909 0.545 CB 1.656 12 residues pruned to eliminate duplicates Z: 27 51.977 2.119 1.246 0.920 1.000 0.731 CB 1.508 27 residues pruned to eliminate duplicates Z: 76 57.291 2.230 1.033 0.580 0.867 0.547 CB 1.559 76 residues pruned to eliminate duplicates Z: 27 55.418 2.254 1.115 0.894 1.000 0.769 CA 1.635 27 residues pruned to eliminate duplicates Z: 26 29.430 2.075 0.864 0.658 0.920 0.600 CB 1.429 26 residues pruned to eliminate duplicates Z: 21 17.151 2.067 0.561 0.582 0.800 0.600 CB 1.374 15 residues pruned to eliminate duplicates Z: 13 27.867 2.403 0.586 0.939 0.917 0.833 CB 1.600 13 residues pruned to eliminate duplicates Z: 27 53.825 2.162 1.133 0.912 1.000 0.769 CB 1.621 27 residues pruned to eliminate duplicates Z: 29 49.078 2.122 1.128 0.890 1.000 0.786 CB 1.477 29 residues pruned to eliminate duplicates Z: 48 57.271 2.336 1.154 0.720 0.915 0.596 CB 1.488 52 residues pruned to eliminate duplicates Z: 70 51.401 2.209 0.925 0.615 0.841 0.522 CB 1.553 98 residues pruned to eliminate duplicates Z: 16 14.415 2.075 0.766 0.493 0.800 0.533 CB 1.278 16 residues pruned to eliminate duplicates Z: 25 49.084 2.151 1.020 0.930 1.000 0.792 CB 1.612 Z: 26 44.784 2.177 0.922 0.918 1.000 0.800 CB 1.509 9 residues pruned to eliminate duplicates Z: 27 44.456 2.173 1.064 0.915 0.923 0.769 CA 1.488 27 residues pruned to eliminate duplicates Z: 26 55.540 2.348 1.047 0.873 1.000 0.720 CA 1.684 26 residues pruned to eliminate duplicates Z: 88 45.169 2.120 0.699 0.590 0.851 0.483 CB 1.450 78 residues pruned to eliminate duplicates Z: 35 26.319 1.987 0.533 0.614 0.882 0.412 CB 1.508 35 residues pruned to eliminate duplicates Z: 13 31.272 2.372 0.786 0.908 1.000 0.750 CB 1.514 Z: 22 31.854 2.386 0.655 0.738 0.905 0.714 CB 1.572 13 residues pruned to eliminate duplicates Z: 26 58.019 2.368 1.156 0.875 1.000 0.680 CA 1.653 26 residues pruned to eliminate duplicates Z: 24 51.224 2.204 1.067 0.946 1.000 0.522 CB 1.621 24 residues pruned to eliminate duplicates Z: 27 52.518 2.293 1.093 0.900 0.962 0.808 CA 1.595 27 residues pruned to eliminate duplicates Z: 22 25.682 2.150 0.958 0.512 0.762 0.524 CB 1.726 22 residues pruned to eliminate duplicates Z: 63 45.371 2.076 0.997 0.621 0.903 0.532 CB 1.372 66 residues pruned to eliminate duplicates Z: 23 51.025 2.300 1.275 0.892 0.955 0.773 CA 1.565 23 residues pruned to eliminate duplicates Z: 26 52.903 2.305 1.030 0.881 1.000 0.840 CA 1.638 26 residues pruned to eliminate duplicates Z: 28 22.371 2.017 0.731 0.569 0.889 0.519 CB 1.297 28 residues pruned to eliminate duplicates Z: 58 52.461 2.256 1.103 0.620 0.877 0.719 CB 1.490 58 residues pruned to eliminate duplicates Z: 26 52.596 2.205 1.198 0.928 1.000 0.880 CB 1.521 26 residues pruned to eliminate duplicates Z: 25 50.190 2.322 1.074 0.887 1.000 0.750 CA 1.534 25 residues pruned to eliminate duplicates Z: 59 53.153 2.158 0.939 0.630 0.931 0.707 CB 1.585 48 residues pruned to eliminate duplicates Z: 22 17.545 2.017 0.795 0.462 0.857 0.524 CB 1.283 23 residues pruned to eliminate duplicates Z: 26 43.661 2.149 0.764 0.924 1.000 0.880 CA 1.617 26 residues pruned to eliminate duplicates Z: 45 31.567 2.103 0.686 0.581 0.841 0.568 CB 1.477 45 residues pruned to eliminate duplicates Z: 26 60.674 2.370 1.176 0.878 1.000 0.560 CA 1.708 26 residues pruned to eliminate duplicates Z: 25 61.273 2.358 1.307 0.920 1.000 0.792 CB 1.619 25 residues pruned to eliminate duplicates Z: 44 40.438 2.072 0.946 0.660 0.930 0.605 CB 1.417 44 residues pruned to eliminate duplicates Z: 26 40.769 2.141 0.836 0.928 1.000 0.840 CB 1.452 26 residues pruned to eliminate duplicates Z: 25 59.537 2.277 1.249 0.949 1.000 0.875 CB 1.638 25 residues pruned to eliminate duplicates Z: 27 27.791 2.164 0.970 0.426 0.923 0.577 CB 1.496 20 residues pruned to eliminate duplicates Z: 14 25.763 2.305 0.628 0.835 0.923 0.769 CB 1.546 13 residues pruned to eliminate duplicates Z: 24 52.304 2.383 0.983 0.889 1.000 0.783 CA 1.662 24 residues pruned to eliminate duplicates Z: 26 39.542 2.175 0.743 0.890 1.000 0.800 CB 1.500 26 residues pruned to eliminate duplicates Z: 59 56.791 2.229 1.152 0.627 0.879 0.534 CB 1.569 59 residues pruned to eliminate duplicates Z: 13 14.654 2.074 0.640 0.506 0.750 0.500 CB 1.649 13 residues pruned to eliminate duplicates Z: 12 15.405 2.017 1.279 0.401 0.818 0.636 N 1.371 12 residues pruned to eliminate duplicates Z: 27 47.652 2.086 1.099 0.899 0.962 0.538 CA 1.586 27 residues pruned to eliminate duplicates Z: 15 6.041 1.722 0.388 0.224 0.714 0.429 CB 1.307 Z: 59 44.248 2.082 0.925 0.622 0.931 0.724 CB 1.388 69 residues pruned to eliminate duplicates Z: 24 20.709 2.054 0.573 0.629 0.826 0.522 CB 1.433 12 residues pruned to eliminate duplicates Z: 68 57.279 2.272 0.982 0.649 0.910 0.582 CB 1.485 68 residues pruned to eliminate duplicates Z: 64 50.309 2.149 1.003 0.570 0.857 0.571 CB 1.605 64 residues pruned to eliminate duplicates Z: 24 24.427 2.115 0.974 0.418 0.913 0.609 CB 1.456 24 residues pruned to eliminate duplicates Z: 26 39.738 2.152 0.818 0.897 1.000 0.800 CB 1.454 26 residues pruned to eliminate duplicates Z: 69 51.578 2.238 0.925 0.591 0.882 0.559 CB 1.509 69 residues pruned to eliminate duplicates Z: 25 56.706 2.203 1.204 0.925 1.000 0.583 CB 1.673 25 residues pruned to eliminate duplicates Z: 27 42.779 2.091 0.856 0.914 0.962 0.654 CB 1.590 27 residues pruned to eliminate duplicates Z: 76 45.158 2.137 0.782 0.566 0.867 0.600 CB 1.482 76 residues pruned to eliminate duplicates Z: 39 30.446 2.101 0.792 0.571 0.842 0.500 CB 1.455 39 residues pruned to eliminate duplicates Z: 43 35.125 2.111 0.794 0.656 0.929 0.595 CB 1.333 43 residues pruned to eliminate duplicates Z: 50 55.282 2.220 0.994 0.689 0.939 0.592 CB 1.598 50 residues pruned to eliminate duplicates Z: 11 10.050 2.248 0.695 0.397 0.800 0.500 CB 1.163 11 residues pruned to eliminate duplicates Z: 25 58.389 2.361 1.141 0.885 1.000 0.750 CA 1.702 25 residues pruned to eliminate duplicates Z: 26 61.120 2.360 1.225 0.882 1.000 0.640 CA 1.685 26 residues pruned to eliminate duplicates Z: 56 56.261 2.235 1.126 0.640 0.891 0.691 CB 1.571 56 residues pruned to eliminate duplicates Z: 12 18.540 1.891 0.660 0.839 1.000 0.727 CB 1.329 11 residues pruned to eliminate duplicates Z: 60 37.218 2.123 0.981 0.508 0.864 0.542 CB 1.323 60 residues pruned to eliminate duplicates Z: 26 54.657 2.222 1.105 0.917 1.000 0.800 CB 1.649 26 residues pruned to eliminate duplicates Z: 27 52.939 2.303 1.144 0.847 0.962 0.538 CA 1.623 27 residues pruned to eliminate duplicates Z: 21 14.208 1.899 0.635 0.404 0.900 0.550 CB 1.257 21 residues pruned to eliminate duplicates Z: 77 58.969 2.212 1.089 0.581 0.855 0.618 CB 1.583 77 residues pruned to eliminate duplicates Z: 27 43.274 2.095 0.974 0.921 1.000 0.692 CB 1.444 27 residues pruned to eliminate duplicates Z: 26 40.334 2.165 0.721 0.911 1.000 0.800 CB 1.534 26 residues pruned to eliminate duplicates Z: 72 43.942 2.156 0.703 0.582 0.873 0.690 CB 1.504 72 residues pruned to eliminate duplicates Z: 10 13.496 1.966 0.642 0.549 0.889 0.667 CB 1.495 10 residues pruned to eliminate duplicates Z: 49 34.524 2.062 0.737 0.574 0.875 0.562 CB 1.480 49 residues pruned to eliminate duplicates Z: 14 17.059 1.968 0.422 0.830 0.846 0.538 CA 1.502 14 residues pruned to eliminate duplicates Z: 27 48.760 2.160 1.159 0.918 1.000 0.731 CB 1.446 27 residues pruned to eliminate duplicates Z: 68 64.980 2.298 1.164 0.621 0.881 0.582 CB 1.617 68 residues pruned to eliminate duplicates Z: 57 40.766 2.097 0.825 0.634 0.893 0.661 CB 1.406 57 residues pruned to eliminate duplicates Z: 10 21.534 2.199 0.802 0.661 1.000 0.556 CB 1.560 10 residues pruned to eliminate duplicates Z: 95 65.947 2.179 1.013 0.626 0.936 0.532 CB 1.471 154 residues pruned to eliminate duplicates Z: 12 16.686 1.915 0.578 0.877 0.909 0.909 CB 1.330 12 residues pruned to eliminate duplicates Z: 6 9.694 1.776 0.933 0.514 0.800 0.800 CB 1.557 Z: 20 16.370 1.889 0.864 0.419 0.789 0.526 CB 1.470 Z: 27 18.452 1.996 0.635 0.601 0.769 0.423 CB 1.309 27 residues pruned to eliminate duplicates Z: 26 44.715 2.192 0.886 0.912 1.000 1.000 CB 1.532 26 residues pruned to eliminate duplicates Z: 26 49.410 2.193 1.113 0.920 1.000 0.800 CB 1.501 26 residues pruned to eliminate duplicates Z: 15 20.019 1.888 0.459 0.850 1.000 0.643 CA 1.439 15 residues pruned to eliminate duplicates Z: 24 48.708 2.201 0.997 0.955 1.000 0.652 CB 1.589 24 residues pruned to eliminate duplicates Z: 28 35.829 2.071 0.695 0.898 1.000 0.852 CB 1.404 28 residues pruned to eliminate duplicates Z: 14 22.677 2.213 0.506 0.876 0.923 0.615 CB 1.486 14 residues pruned to eliminate duplicates Z: 26 46.264 2.182 1.084 0.908 1.000 0.840 CB 1.445 26 residues pruned to eliminate duplicates Z: 14 26.046 2.295 0.507 0.882 1.000 0.538 CB 1.511 14 residues pruned to eliminate duplicates Z: 26 39.408 2.131 0.752 0.922 1.000 0.960 CB 1.485 26 residues pruned to eliminate duplicates Z: 60 45.949 2.182 0.843 0.605 0.864 0.508 CB 1.557 60 residues pruned to eliminate duplicates Z: 12 5.107 1.493 0.575 0.167 0.818 0.273 O 1.199 Z: 33 27.225 2.217 0.538 0.606 0.844 0.562 CB 1.513 37 residues pruned to eliminate duplicates Z: 52 56.536 2.257 0.961 0.678 0.961 0.608 CB 1.580 52 residues pruned to eliminate duplicates Z: 11 11.613 1.972 0.585 0.505 0.800 0.600 CB 1.460 Z: 12 19.855 2.139 0.826 0.643 0.818 0.727 CB 1.640 12 residues pruned to eliminate duplicates Z: 25 58.683 2.392 1.099 0.925 1.000 0.833 CB 1.674 25 residues pruned to eliminate duplicates Z: 15 31.003 2.300 0.770 0.853 0.929 0.714 CB 1.621 15 residues pruned to eliminate duplicates Z: 27 39.892 2.074 0.850 0.921 0.962 0.692 CA 1.492 27 residues pruned to eliminate duplicates Z: 55 51.994 2.242 1.042 0.618 0.889 0.611 CB 1.555 55 residues pruned to eliminate duplicates Z: 51 60.751 2.281 1.194 0.685 0.940 0.620 CB 1.540 51 residues pruned to eliminate duplicates Z: 16 14.959 1.698 0.513 0.845 1.000 0.667 CA 1.118 Z: 54 46.647 2.156 0.936 0.648 0.925 0.528 CB 1.446 54 residues pruned to eliminate duplicates Z: 70 54.687 2.218 1.042 0.581 0.913 0.623 CB 1.473 73 residues pruned to eliminate duplicates Z: 15 25.125 2.232 0.857 0.837 0.786 0.714 CB 1.543 15 residues pruned to eliminate duplicates Z: 13 19.248 1.816 0.661 0.880 1.000 0.750 CA 1.335 15 residues pruned to eliminate duplicates Z: 17 14.214 2.032 0.990 0.454 0.812 0.562 CB 1.134 17 residues pruned to eliminate duplicates Z: 28 40.394 2.053 0.807 0.926 1.000 0.741 CA 1.470 28 residues pruned to eliminate duplicates Z: 7 7.702 2.027 -0.015 0.684 1.000 0.667 CB 1.330 Z: 20 13.884 2.086 0.680 0.470 0.789 0.368 CB 1.186 20 residues pruned to eliminate duplicates Z: 7 9.824 1.756 0.842 0.740 1.000 0.500 CB 1.000 Z: 12 13.386 2.022 0.581 0.442 0.909 0.273 CB 1.475 12 residues pruned to eliminate duplicates Z: 25 49.243 2.113 1.081 0.905 1.000 0.333 CB 1.626 25 residues pruned to eliminate duplicates Z: 27 54.202 2.172 1.164 0.906 1.000 0.692 CB 1.609 27 residues pruned to eliminate duplicates Z: 14 15.846 1.814 0.611 0.790 1.000 0.769 CA 1.166 14 residues pruned to eliminate duplicates Z: 57 38.688 2.119 0.730 0.635 0.911 0.571 CB 1.364 55 residues pruned to eliminate duplicates Z: 26 50.008 2.159 1.370 0.911 0.920 0.760 CB 1.505 26 residues pruned to eliminate duplicates Z: 26 39.294 2.141 0.787 0.925 1.000 0.840 CB 1.441 26 residues pruned to eliminate duplicates Z: 17 15.041 2.016 0.339 0.685 0.875 0.688 CB 1.344 17 residues pruned to eliminate duplicates Z: 27 23.519 2.218 0.769 0.401 0.846 0.577 CB 1.541 27 residues pruned to eliminate duplicates Z: 6 5.443 1.980 -0.072 0.612 0.800 0.400 CB 1.490 Z: 25 41.569 2.181 0.989 0.883 0.958 0.667 CB 1.476 25 residues pruned to eliminate duplicates Z: 26 46.072 2.198 0.950 0.919 1.000 0.880 CB 1.515 26 residues pruned to eliminate duplicates Z: 27 49.581 2.301 0.981 0.875 0.962 0.808 CA 1.614 27 residues pruned to eliminate duplicates Z: 13 20.353 1.959 0.602 0.863 0.917 0.750 CB 1.499 13 residues pruned to eliminate duplicates Z: 10 5.013 1.737 0.204 0.415 0.778 0.556 CB 1.122 Z: 104 57.416 2.159 0.912 0.572 0.845 0.592 CB 1.514 104 residues pruned to eliminate duplicates Z: 28 32.528 2.066 0.611 0.903 0.926 0.741 CA 1.448 28 residues pruned to eliminate duplicates Z: 9 12.873 1.970 0.903 0.613 0.750 0.750 CB 1.454 9 residues pruned to eliminate duplicates Z: 9 3.616 1.854 0.174 0.387 0.625 0.625 CB 1.059 8 residues pruned to eliminate duplicates Z: 52 51.695 2.197 0.971 0.672 0.902 0.745 CB 1.582 52 residues pruned to eliminate duplicates Z: 67 52.771 2.245 0.924 0.610 0.894 0.636 CB 1.515 67 residues pruned to eliminate duplicates Z: 12 14.392 2.006 0.743 0.530 0.909 0.455 CB 1.326 7 residues pruned to eliminate duplicates Z: 24 23.533 2.120 0.842 0.539 0.783 0.652 CB 1.545 24 residues pruned to eliminate duplicates Z: 26 42.822 2.162 0.759 0.940 1.000 0.840 CA 1.564 26 residues pruned to eliminate duplicates Z: 50 56.696 2.297 1.208 0.677 0.898 0.653 CB 1.511 50 residues pruned to eliminate duplicates Z: 16 18.259 2.100 0.706 0.774 0.867 0.733 CA 1.192 16 residues pruned to eliminate duplicates Z: 6 4.806 1.908 -0.348 0.805 1.000 0.800 N 1.324 Z: 13 19.508 1.930 0.621 0.858 0.917 0.750 CB 1.446 13 residues pruned to eliminate duplicates Z: 26 63.988 2.370 1.326 0.917 1.000 0.800 CA 1.638 26 residues pruned to eliminate duplicates Z: 14 13.079 1.909 0.404 0.833 0.769 0.462 CA 1.320 14 residues pruned to eliminate duplicates Z: 10 14.141 2.066 0.636 0.644 0.889 0.667 CB 1.372 10 residues pruned to eliminate duplicates Z: 51 57.517 2.306 1.089 0.661 0.940 0.580 CB 1.547 51 residues pruned to eliminate duplicates Z: 9 7.174 1.512 0.503 0.587 0.875 0.625 CB 1.173 Z: 23 44.992 2.104 1.102 0.937 1.000 0.818 CB 1.509 23 residues pruned to eliminate duplicates Z: 26 48.552 2.169 1.141 0.928 0.920 0.800 CA 1.593 26 residues pruned to eliminate duplicates Z: 26 46.565 2.166 1.045 0.933 1.000 0.640 CB 1.467 26 residues pruned to eliminate duplicates Z: 48 24.531 1.994 0.672 0.495 0.809 0.489 CB 1.333 48 residues pruned to eliminate duplicates Z: 9 16.718 2.160 1.209 0.571 0.750 0.625 N 1.542 9 residues pruned to eliminate duplicates Z: 72 51.045 2.220 0.835 0.582 0.887 0.620 CB 1.549 72 residues pruned to eliminate duplicates Z: 24 22.906 2.080 0.443 0.631 1.000 0.435 CB 1.407 35 residues pruned to eliminate duplicates Z: 27 37.978 2.098 0.826 0.892 1.000 0.808 CB 1.396 27 residues pruned to eliminate duplicates Z: 25 48.104 2.119 1.197 0.917 0.958 0.542 CB 1.553 25 residues pruned to eliminate duplicates Z: 26 42.956 2.142 0.893 0.929 1.000 0.800 CB 1.482 26 residues pruned to eliminate duplicates Z: 49 39.837 2.115 0.815 0.643 0.938 0.646 CB 1.397 49 residues pruned to eliminate duplicates Z: 46 41.280 2.124 0.878 0.695 0.911 0.556 CB 1.417 46 residues pruned to eliminate duplicates Z: 11 10.402 1.924 0.599 0.517 0.900 0.400 CB 1.168 Z: 25 37.435 2.173 0.622 0.917 0.958 0.750 CB 1.597 25 residues pruned to eliminate duplicates Z: 21 19.312 2.054 0.421 0.708 0.850 0.650 CB 1.441 19 residues pruned to eliminate duplicates Z: 25 44.103 2.120 0.962 0.907 1.000 0.792 CB 1.538 25 residues pruned to eliminate duplicates Z: 15 18.361 1.941 0.550 0.802 0.929 0.643 CA 1.349 15 residues pruned to eliminate duplicates Z: 19 16.089 2.150 0.613 0.511 0.722 0.556 CB 1.498 19 residues pruned to eliminate duplicates Z: 49 28.809 2.063 0.548 0.555 0.833 0.562 CB 1.480 41 residues pruned to eliminate duplicates Z: 15 19.042 1.896 0.520 0.860 0.929 0.571 CA 1.399 15 residues pruned to eliminate duplicates Z: 26 44.405 2.167 1.069 0.926 0.960 0.720 CB 1.447 26 residues pruned to eliminate duplicates Z: 36 27.606 2.046 1.033 0.422 0.886 0.514 CB 1.374 36 residues pruned to eliminate duplicates Z: 57 42.738 2.131 0.795 0.629 0.857 0.661 CB 1.543 57 residues pruned to eliminate duplicates Z: 26 48.342 2.343 0.812 0.878 1.000 0.760 CA 1.653 26 residues pruned to eliminate duplicates Z: 14 30.747 2.329 0.701 0.918 1.000 0.923 CB 1.518 14 residues pruned to eliminate duplicates Z: 71 50.294 2.211 0.898 0.596 0.900 0.614 CB 1.452 71 residues pruned to eliminate duplicates Z: 26 55.050 2.221 1.345 0.902 0.960 0.520 CB 1.571 26 residues pruned to eliminate duplicates Z: 87 59.017 2.200 0.840 0.622 0.895 0.535 CB 1.564 87 residues pruned to eliminate duplicates Z: 21 20.465 2.041 0.785 0.488 0.900 0.600 CB 1.413 18 residues pruned to eliminate duplicates Z: 12 11.881 1.837 0.166 0.900 1.000 0.909 CA 1.195 12 residues pruned to eliminate duplicates Z: 27 20.634 2.117 0.782 0.431 0.731 0.538 CB 1.576 27 residues pruned to eliminate duplicates Z: 21 49.520 2.258 1.254 0.952 1.000 0.550 CB 1.498 21 residues pruned to eliminate duplicates Z: 48 41.772 2.141 0.795 0.670 0.915 0.787 CB 1.480 48 residues pruned to eliminate duplicates Z: 11 14.803 2.092 0.716 0.544 0.700 0.500 CA 1.785 11 residues pruned to eliminate duplicates Z: 8 6.200 1.861 0.873 0.348 0.571 0.571 CB 1.387 8 residues pruned to eliminate duplicates Z: 11 15.466 1.897 0.494 0.873 1.000 0.700 CA 1.257 11 residues pruned to eliminate duplicates Z: 10 13.146 1.982 0.637 0.555 0.889 0.667 CB 1.441 10 residues pruned to eliminate duplicates Z: 12 21.059 2.158 0.982 0.457 0.909 0.545 CA 1.705 12 residues pruned to eliminate duplicates Z: 25 47.974 2.129 1.119 0.940 1.000 0.542 CB 1.507 25 residues pruned to eliminate duplicates Z: 19 25.897 2.115 0.686 0.773 0.944 0.722 CA 1.424 19 residues pruned to eliminate duplicates Z: 51 53.229 2.265 1.101 0.681 0.900 0.640 CB 1.487 51 residues pruned to eliminate duplicates Z: 27 41.126 2.094 0.844 0.937 1.000 0.962 CB 1.454 27 residues pruned to eliminate duplicates Z: 9 14.540 2.052 1.035 0.640 0.750 0.750 CA 1.441 9 residues pruned to eliminate duplicates Z: 79 57.034 2.202 1.061 0.583 0.859 0.654 CB 1.530 79 residues pruned to eliminate duplicates 7 1.901 1.531 0.610 0.293 0.500 0.333 CB 0.793 ? Z: 22 19.555 2.105 0.916 0.536 0.810 0.619 CB 1.262 22 residues pruned to eliminate duplicates Z: 23 25.386 2.119 0.774 0.569 0.909 0.682 CB 1.482 23 residues pruned to eliminate duplicates Z: 11 13.093 1.953 0.682 0.501 0.900 0.400 CB 1.400 11 residues pruned to eliminate duplicates Z: 24 24.127 2.064 0.436 0.667 0.957 0.609 CA 1.521 25 residues pruned to eliminate duplicates Z: 39 32.098 2.161 0.687 0.585 0.921 0.447 CB 1.429 39 residues pruned to eliminate duplicates Z: 8 18.226 2.088 1.319 0.646 0.857 0.714 CB 1.449 8 residues pruned to eliminate duplicates Z: 9 12.466 2.112 0.651 0.453 0.875 0.375 CB 1.516 9 residues pruned to eliminate duplicates Z: 7 2.577 1.738 -0.090 0.488 0.667 0.500 CB 1.010 Z: 12 17.547 2.201 1.048 0.440 0.818 0.545 CB 1.527 12 residues pruned to eliminate duplicates Z: 6 3.188 1.154 0.409 0.829 1.000 0.600 N 0.660 Z: 9 17.625 1.959 0.813 0.801 1.000 0.875 N 1.348 Z: 27 40.387 2.041 0.872 0.922 0.962 0.731 CA 1.516 27 residues pruned to eliminate duplicates Z: 26 43.614 2.187 0.995 0.923 0.960 0.720 CB 1.464 26 residues pruned to eliminate duplicates Z: 16 33.810 2.200 0.953 0.921 0.933 0.667 CB 1.531 15 residues pruned to eliminate duplicates Z: 54 50.035 2.199 1.016 0.614 0.906 0.566 CB 1.537 54 residues pruned to eliminate duplicates Z: 10 15.573 1.924 0.918 0.584 0.889 0.778 CB 1.460 10 residues pruned to eliminate duplicates Z: 26 24.627 2.053 0.752 0.628 0.880 0.440 CB 1.379 26 residues pruned to eliminate duplicates Z: 14 15.764 1.854 0.310 0.889 1.000 0.923 CA 1.296 14 residues pruned to eliminate duplicates Z: 26 38.939 2.142 0.665 0.941 1.000 0.880 CA 1.516 26 residues pruned to eliminate duplicates Z: 35 31.789 2.056 0.711 0.602 0.912 0.559 CA 1.543 35 residues pruned to eliminate duplicates Z: 14 9.878 1.876 0.575 0.490 0.846 0.538 CB 1.107 14 residues pruned to eliminate duplicates Z: 20 12.567 1.819 0.893 0.406 0.789 0.474 CB 1.170 20 residues pruned to eliminate duplicates Z: 26 46.185 2.184 1.038 0.936 1.000 0.880 CB 1.445 26 residues pruned to eliminate duplicates Z: 26 46.720 2.150 1.006 0.931 0.960 0.640 CB 1.578 26 residues pruned to eliminate duplicates Z: 16 20.231 1.877 0.688 0.860 1.000 0.800 CA 1.212 16 residues pruned to eliminate duplicates Z: 26 44.343 2.190 0.906 0.928 1.000 0.800 CB 1.489 26 residues pruned to eliminate duplicates Z: 39 36.972 2.108 0.998 0.629 0.868 0.526 CB 1.452 39 residues pruned to eliminate duplicates Z: 68 41.855 2.099 0.769 0.586 0.910 0.657 CB 1.393 68 residues pruned to eliminate duplicates Z: 25 59.309 2.236 1.242 0.933 1.000 0.917 CB 1.685 25 residues pruned to eliminate duplicates Z: 26 44.326 2.207 0.899 0.906 1.000 0.840 CA 1.505 26 residues pruned to eliminate duplicates Z: 16 17.578 1.876 0.626 0.805 1.000 0.733 CA 1.140 16 residues pruned to eliminate duplicates Z: 16 17.027 1.879 0.707 0.784 0.933 0.600 CA 1.144 16 residues pruned to eliminate duplicates Z: 49 59.330 2.203 1.215 0.679 0.917 0.625 CB 1.624 49 residues pruned to eliminate duplicates Z: 6 6.965 1.841 0.641 0.420 0.800 0.400 O 1.401 Z: 6 3.805 1.868 0.106 0.294 0.800 0.600 CB 1.297 Z: 13 6.199 1.875 0.698 0.386 0.500 0.417 CB 1.268 13 residues pruned to eliminate duplicates Z: 9 6.465 1.783 0.716 0.492 0.750 0.500 CB 1.005 9 residues pruned to eliminate duplicates Z: 10 4.013 1.785 0.265 0.274 0.778 0.556 CB 0.984 10 residues pruned to eliminate duplicates Z: 16 8.881 1.841 0.305 0.442 0.733 0.467 CB 1.382 16 residues pruned to eliminate duplicates Z: 40 31.643 2.127 0.722 0.599 0.923 0.564 CB 1.364 40 residues pruned to eliminate duplicates Z: 66 55.017 2.201 1.067 0.589 0.892 0.538 CB 1.543 27 residues pruned to eliminate duplicates Z: 16 21.347 1.896 0.670 0.848 1.000 0.467 CA 1.292 15 residues pruned to eliminate duplicates Z: 6 5.608 1.633 -0.120 0.785 1.000 0.800 CB 1.358 Z: 20 14.895 1.906 0.601 0.355 0.842 0.579 CB 1.555 20 residues pruned to eliminate duplicates Z: 11 12.686 1.850 0.344 0.874 1.000 0.800 CA 1.175 11 residues pruned to eliminate duplicates Z: 27 41.488 2.108 0.853 0.932 1.000 1.000 CB 1.455 27 residues pruned to eliminate duplicates Z: 14 31.960 2.391 0.774 0.899 0.923 0.846 CB 1.618 14 residues pruned to eliminate duplicates Z: 25 49.475 2.213 1.009 0.934 0.958 0.750 CA 1.653 25 residues pruned to eliminate duplicates Z: 26 46.593 2.172 1.105 0.952 1.000 0.640 CB 1.404 26 residues pruned to eliminate duplicates Z: 49 63.750 2.291 1.249 0.686 0.958 0.667 CB 1.571 49 residues pruned to eliminate duplicates Z: 21 42.840 2.436 1.191 0.602 0.900 0.600 CB 1.808 21 residues pruned to eliminate duplicates Z: 70 60.050 2.291 1.024 0.607 0.855 0.638 CB 1.647 70 residues pruned to eliminate duplicates Z: 14 18.910 1.921 0.523 0.877 0.923 0.615 CA 1.410 14 residues pruned to eliminate duplicates Z: 6 3.248 1.827 -0.085 0.188 0.800 0.200 N 1.577 Z: 25 55.003 2.376 1.055 0.905 1.000 0.833 CB 1.638 25 residues pruned to eliminate duplicates Z: 7 2.001 1.641 -0.142 0.490 0.667 0.667 CB 0.879 Z: 8 3.130 1.522 0.303 0.458 0.857 0.714 CB 0.726 8 residues pruned to eliminate duplicates Z: 12 14.210 1.764 0.860 0.614 0.909 0.545 N 1.289 Z: 22 20.024 2.030 0.320 0.684 0.952 0.714 CB 1.446 22 residues pruned to eliminate duplicates Z: 21 28.600 2.124 0.744 0.743 0.950 0.650 CB 1.462 21 residues pruned to eliminate duplicates Z: 7 6.928 1.898 0.329 0.594 0.833 0.500 CB 1.230 4 residues pruned to eliminate duplicates Z: 55 45.849 2.131 0.873 0.659 0.926 0.667 CB 1.457 55 residues pruned to eliminate duplicates Z: 16 18.771 1.807 0.737 0.864 1.000 0.600 CA 1.132 16 residues pruned to eliminate duplicates Z: 6 4.902 1.843 -0.350 0.842 1.000 0.800 CB 1.364 Z: 57 51.298 2.185 1.049 0.610 0.911 0.625 CB 1.515 55 residues pruned to eliminate duplicates Z: 25 20.733 2.002 0.504 0.578 0.875 0.542 CB 1.490 25 residues pruned to eliminate duplicates Z: 13 17.000 1.993 0.408 0.880 0.917 0.417 CB 1.383 13 residues pruned to eliminate duplicates Z: 10 15.077 1.888 0.647 0.811 0.889 0.556 CA 1.387 10 residues pruned to eliminate duplicates Z: 26 59.774 2.381 1.173 0.880 1.000 0.840 CA 1.674 26 residues pruned to eliminate duplicates Z: 50 50.491 2.201 1.003 0.702 0.898 0.612 CB 1.516 50 residues pruned to eliminate duplicates Z: 14 16.715 2.005 0.590 0.572 0.923 0.538 CB 1.470 14 residues pruned to eliminate duplicates Z: 12 13.097 1.884 0.239 0.927 1.000 0.727 CA 1.185 12 residues pruned to eliminate duplicates Z: 11 12.166 1.806 0.250 0.902 1.000 0.900 CA 1.216 11 residues pruned to eliminate duplicates Z: 13 7.272 1.821 0.722 0.382 0.833 0.667 CB 0.911 13 residues pruned to eliminate duplicates Z: 6 11.181 1.852 0.451 0.828 1.000 0.800 O 1.402 Z: 10 4.639 1.830 0.093 0.582 1.000 0.667 CB 0.715 10 residues pruned to eliminate duplicates Z: 20 18.346 1.893 0.755 0.473 0.842 0.579 CB 1.547 20 residues pruned to eliminate duplicates Z: 8 6.125 1.617 0.108 0.771 1.000 0.857 CB 1.016 8 residues pruned to eliminate duplicates Z: 26 44.585 2.163 1.083 0.930 0.920 0.600 CB 1.505 26 residues pruned to eliminate duplicates Z: 14 9.747 1.844 0.612 0.468 0.923 0.462 CB 1.019 Z: 16 8.742 1.800 0.195 0.512 1.000 0.533 CB 1.037 16 residues pruned to eliminate duplicates Z: 12 3.820 1.706 0.012 0.347 0.818 0.455 CB 0.963 6 residues pruned to eliminate duplicates Z: 10 7.098 1.782 0.863 0.436 0.667 0.444 CB 1.142 10 residues pruned to eliminate duplicates Z: 12 10.481 1.945 0.752 0.463 0.727 0.545 CB 1.324 12 residues pruned to eliminate duplicates Z: 7 3.603 1.649 -0.039 0.643 0.833 0.667 CB 0.974 Z: 27 54.678 2.303 1.176 0.870 0.962 0.577 CA 1.624 27 residues pruned to eliminate duplicates Z: 14 15.751 1.850 0.418 0.893 0.923 0.615 CA 1.296 14 residues pruned to eliminate duplicates Z: 6 8.211 1.630 0.199 0.856 1.000 0.800 CA 1.386 6 residues pruned to eliminate duplicates Z: 6 6.095 1.885 -0.215 0.755 1.000 0.800 CB 1.467 Z: 75 38.361 2.018 0.708 0.549 0.878 0.622 CB 1.404 75 residues pruned to eliminate duplicates Z: 70 54.177 2.224 0.921 0.619 0.928 0.623 CB 1.471 70 residues pruned to eliminate duplicates Z: 48 59.961 2.300 1.136 0.714 0.915 0.596 CB 1.604 48 residues pruned to eliminate duplicates Z: 6 3.855 1.685 0.336 0.659 0.800 0.600 CB 0.826 Z: 16 23.310 2.318 0.372 0.793 0.933 0.800 CB 1.569 16 residues pruned to eliminate duplicates Z: 36 47.345 2.270 1.080 0.738 0.971 0.743 CB 1.410 36 residues pruned to eliminate duplicates Z: 6 3.239 1.753 0.034 0.457 0.600 0.600 C 1.391 6 residues pruned to eliminate duplicates Z: 16 15.946 1.840 0.474 0.883 1.000 0.933 CA 1.098 16 residues pruned to eliminate duplicates Z: 7 5.498 1.788 -0.143 0.851 1.000 1.000 CB 1.084 Z: 9 8.706 1.815 0.493 0.398 0.875 0.500 CA 1.445 11 residues pruned to eliminate duplicates Z: 9 19.071 2.246 0.523 0.862 1.000 0.500 CB 1.447 9 residues pruned to eliminate duplicates Z: 8 4.614 1.661 0.057 0.495 0.857 0.429 C 1.164 8 residues pruned to eliminate duplicates Z: 27 47.275 2.091 1.054 0.950 0.962 0.731 CA 1.548 27 residues pruned to eliminate duplicates Z: 25 14.353 2.109 0.604 0.421 0.792 0.417 CB 1.188 25 residues pruned to eliminate duplicates Z: 11 15.750 2.034 0.831 0.458 0.900 0.300 CB 1.551 11 residues pruned to eliminate duplicates Z: 25 51.277 2.280 1.263 0.892 0.958 0.292 CB 1.521 25 residues pruned to eliminate duplicates Z: 27 19.602 1.979 0.588 0.607 0.808 0.538 CB 1.369 27 residues pruned to eliminate duplicates Z: 23 32.894 2.233 1.097 0.474 0.955 0.773 CB 1.610 23 residues pruned to eliminate duplicates Z: 52 55.842 2.330 1.022 0.671 0.922 0.745 CB 1.538 52 residues pruned to eliminate duplicates Z: 27 48.403 2.093 1.003 0.947 1.000 0.769 CA 1.565 27 residues pruned to eliminate duplicates Z: 10 3.704 1.964 0.133 0.308 0.556 0.444 CB 1.236 10 residues pruned to eliminate duplicates Z: 59 51.178 2.193 0.886 0.668 0.879 0.690 CB 1.582 59 residues pruned to eliminate duplicates Z: 11 14.134 1.755 0.639 0.553 1.000 0.700 CB 1.476 11 residues pruned to eliminate duplicates Z: 69 62.888 2.218 1.000 0.618 0.926 0.559 CB 1.660 69 residues pruned to eliminate duplicates Z: 55 34.499 2.047 0.696 0.578 0.926 0.704 CB 1.355 55 residues pruned to eliminate duplicates Z: 26 28.413 1.943 0.779 0.873 0.920 0.640 CB 1.302 26 residues pruned to eliminate duplicates Z: 26 41.279 2.101 0.783 0.942 1.000 0.880 CA 1.528 26 residues pruned to eliminate duplicates Z: 11 13.193 2.134 0.594 0.477 0.900 0.500 CB 1.395 11 residues pruned to eliminate duplicates Z: 11 5.158 1.622 0.355 0.444 0.600 0.200 CA 1.311 Z: 16 22.033 1.863 0.904 0.855 0.933 0.533 CA 1.269 16 residues pruned to eliminate duplicates Z: 58 63.179 2.263 1.124 0.659 0.930 0.667 CB 1.615 58 residues pruned to eliminate duplicates Z: 34 22.402 2.040 0.412 0.561 0.818 0.515 CB 1.559 34 residues pruned to eliminate duplicates Z: 26 57.497 2.310 1.246 0.884 1.000 0.720 CA 1.602 26 residues pruned to eliminate duplicates Z: 9 3.737 1.693 -0.181 0.520 0.750 0.750 CB 1.245 Z: 28 24.171 2.031 0.559 0.640 0.889 0.556 CA 1.450 28 residues pruned to eliminate duplicates Z: 28 29.335 1.993 0.576 0.928 0.963 0.889 CA 1.307 28 residues pruned to eliminate duplicates Z: 26 46.912 2.318 0.777 0.900 1.000 0.880 CA 1.627 26 residues pruned to eliminate duplicates Z: 18 16.066 2.042 0.687 0.438 0.941 0.235 CB 1.281 18 residues pruned to eliminate duplicates Z: 27 30.998 2.090 0.504 0.915 0.962 0.923 CA 1.422 27 residues pruned to eliminate duplicates Z: 13 25.110 2.166 1.042 0.595 1.000 0.500 CB 1.496 13 residues pruned to eliminate duplicates Z: 16 22.966 2.072 0.834 0.525 0.867 0.533 CB 1.756 16 residues pruned to eliminate duplicates Z: 15 8.840 1.803 0.680 0.343 0.714 0.429 CB 1.295 15 residues pruned to eliminate duplicates Z: 58 49.233 2.119 0.958 0.646 0.895 0.702 CB 1.533 58 residues pruned to eliminate duplicates Z: 6 3.410 1.443 0.486 0.606 1.000 0.800 CB 0.643 Z: 26 44.372 2.168 0.946 0.924 1.000 0.680 CB 1.478 26 residues pruned to eliminate duplicates Z: 11 5.223 1.702 0.412 0.268 0.800 0.500 CB 1.119 11 residues pruned to eliminate duplicates Z: 12 11.533 1.887 0.454 0.542 0.909 0.636 CB 1.338 9 residues pruned to eliminate duplicates Z: 13 8.868 1.746 0.887 0.416 0.833 0.583 CB 1.018 13 residues pruned to eliminate duplicates Z: 26 36.992 2.138 0.634 0.929 1.000 0.920 CB 1.483 26 residues pruned to eliminate duplicates Z: 6 4.764 1.813 1.026 0.749 1.000 0.800 CB 0.464 6 residues pruned to eliminate duplicates Z: 26 45.225 2.178 1.143 0.924 0.960 0.720 CB 1.418 26 residues pruned to eliminate duplicates Z: 9 5.246 1.627 0.161 0.370 0.875 0.625 CB 1.291 Z: 13 20.626 2.065 0.931 0.637 0.750 0.667 CA 1.751 13 residues pruned to eliminate duplicates Z: 8 4.175 1.610 -0.122 0.433 0.857 0.429 CB 1.396 8 residues pruned to eliminate duplicates Z: 15 17.170 1.934 0.852 0.526 0.929 0.571 CB 1.345 15 residues pruned to eliminate duplicates Z: 12 9.316 1.799 0.666 0.442 0.727 0.545 CB 1.369 12 residues pruned to eliminate duplicates Z: 20 25.865 2.262 0.630 0.677 0.842 0.684 CB 1.624 20 residues pruned to eliminate duplicates Z: 9 4.364 1.608 -0.133 0.495 0.875 0.375 CB 1.271 Z: 14 21.135 1.909 0.842 0.918 0.846 0.538 CB 1.390 14 residues pruned to eliminate duplicates Z: 16 28.596 2.219 0.860 0.796 0.867 0.533 CA 1.593 16 residues pruned to eliminate duplicates Z: 26 40.354 2.156 0.742 0.917 1.000 0.880 CB 1.516 26 residues pruned to eliminate duplicates Z: 25 47.990 2.220 1.021 0.940 1.000 0.875 CB 1.517 25 residues pruned to eliminate duplicates Z: 26 48.970 2.303 1.016 0.891 0.960 0.760 CA 1.580 26 residues pruned to eliminate duplicates Z: 50 47.175 2.161 0.984 0.692 0.898 0.612 CB 1.469 50 residues pruned to eliminate duplicates Z: 72 57.845 2.203 1.151 0.575 0.873 0.648 CB 1.543 55 residues pruned to eliminate duplicates Z: 25 48.570 2.196 1.021 0.923 0.958 0.708 CB 1.637 25 residues pruned to eliminate duplicates Z: 9 9.166 1.659 0.462 0.813 0.750 0.375 CA 1.357 9 residues pruned to eliminate duplicates Z: 14 8.546 1.783 0.515 0.353 0.923 0.462 CB 1.114 14 residues pruned to eliminate duplicates Z: 41 44.558 2.100 1.018 0.677 0.925 0.750 CB 1.527 41 residues pruned to eliminate duplicates Z: 15 13.635 2.165 0.321 0.844 0.714 0.571 CB 1.327 15 residues pruned to eliminate duplicates Z: 21 19.254 2.069 0.913 0.507 0.700 0.500 CB 1.543 21 residues pruned to eliminate duplicates Z: 14 15.931 1.819 0.502 0.812 0.923 0.692 CA 1.336 16 residues pruned to eliminate duplicates Z: 26 37.129 2.089 0.785 0.911 1.000 0.800 CB 1.411 26 residues pruned to eliminate duplicates Z: 14 21.811 1.946 0.618 0.836 1.000 0.615 CA 1.438 14 residues pruned to eliminate duplicates Z: 7 4.898 1.703 0.380 0.516 0.833 0.500 CA 1.004 7 residues pruned to eliminate duplicates Z: 7 2.961 1.666 0.483 0.564 0.833 0.833 CB 0.552 Z: 56 48.159 2.110 0.999 0.653 0.909 0.636 CB 1.469 56 residues pruned to eliminate duplicates Z: 72 52.308 2.229 0.953 0.579 0.901 0.620 CB 1.467 72 residues pruned to eliminate duplicates Z: 26 47.380 2.158 1.204 0.914 1.000 0.600 CB 1.409 26 residues pruned to eliminate duplicates Z: 15 22.701 1.969 0.827 0.835 1.000 0.643 CA 1.264 15 residues pruned to eliminate duplicates Z: 11 12.103 1.728 0.867 0.524 0.900 0.600 CB 1.287 Z: 26 50.262 2.154 1.054 0.936 1.000 0.880 CA 1.582 26 residues pruned to eliminate duplicates Z: 26 24.439 2.085 0.933 0.439 0.840 0.520 CB 1.538 26 residues pruned to eliminate duplicates Z: 12 14.187 2.096 0.698 0.645 0.727 0.636 CB 1.443 12 residues pruned to eliminate duplicates Z: 16 24.695 2.337 0.693 0.550 0.933 0.467 CA 1.644 16 residues pruned to eliminate duplicates Z: 16 8.486 1.757 0.240 0.474 0.867 0.400 CB 1.191 16 residues pruned to eliminate duplicates Z: 7 3.640 1.518 -0.025 0.533 0.833 0.667 CB 1.166 7 residues pruned to eliminate duplicates Z: 16 10.951 1.860 0.502 0.473 0.867 0.667 CB 1.200 4 residues pruned to eliminate duplicates Z: 53 48.967 2.193 0.880 0.667 0.904 0.750 CB 1.561 53 residues pruned to eliminate duplicates Z: 26 51.244 2.167 1.370 0.945 1.000 0.640 CB 1.381 26 residues pruned to eliminate duplicates Z: 15 8.727 1.819 0.510 0.432 0.857 0.500 CB 1.063 15 residues pruned to eliminate duplicates Z: 8 6.969 1.856 -0.111 0.606 1.000 0.714 C 1.443 8 residues pruned to eliminate duplicates Z: 24 45.955 2.162 1.192 0.936 1.000 0.739 CB 1.408 24 residues pruned to eliminate duplicates Z: 7 3.166 1.677 0.429 0.508 0.833 0.667 CB 0.643 Z: 27 53.950 2.132 1.250 0.915 1.000 0.769 CB 1.559 27 residues pruned to eliminate duplicates Z: 17 24.881 2.106 0.827 0.700 0.875 0.688 CA 1.540 17 residues pruned to eliminate duplicates Z: 24 39.972 2.150 0.882 0.932 0.913 0.565 CB 1.576 24 residues pruned to eliminate duplicates Z: 12 10.855 1.922 0.751 0.562 0.818 0.636 CB 1.119 12 residues pruned to eliminate duplicates Z: 8 5.819 1.813 -0.030 0.575 1.000 0.429 CB 1.164 7 residues pruned to eliminate duplicates Z: 13 20.712 2.080 0.675 0.808 1.000 0.750 CA 1.312 13 residues pruned to eliminate duplicates Z: 6 11.962 1.870 0.728 0.764 1.000 0.800 N 1.310 9 residues pruned to eliminate duplicates Z: 15 21.072 1.976 1.016 0.577 0.929 0.643 CB 1.414 15 residues pruned to eliminate duplicates Z: 9 4.707 1.699 0.442 0.358 0.750 0.625 CB 1.056 9 residues pruned to eliminate duplicates Z: 14 14.394 1.950 0.823 0.486 0.846 0.462 CB 1.346 14 residues pruned to eliminate duplicates Z: 6 5.853 1.876 0.303 0.334 1.000 0.800 CB 1.284 Z: 39 35.358 2.147 0.830 0.617 0.895 0.632 CB 1.462 39 residues pruned to eliminate duplicates Z: 25 54.049 2.311 1.192 0.870 1.000 0.625 CA 1.590 25 residues pruned to eliminate duplicates Z: 16 13.146 2.022 0.434 0.571 0.733 0.467 CA 1.492 17 residues pruned to eliminate duplicates Z: 25 50.903 2.214 1.044 0.935 0.958 0.875 CB 1.670 25 residues pruned to eliminate duplicates Z: 18 17.454 1.969 0.588 0.720 0.824 0.471 CA 1.348 18 residues pruned to eliminate duplicates Z: 16 31.155 2.207 1.114 0.837 0.867 0.400 CB 1.488 16 residues pruned to eliminate duplicates Z: 56 43.768 2.101 0.835 0.654 0.909 0.618 CB 1.459 56 residues pruned to eliminate duplicates Z: 15 14.935 2.037 0.623 0.491 0.929 0.643 CB 1.312 15 residues pruned to eliminate duplicates Z: 24 21.442 1.946 0.566 0.684 0.870 0.652 CA 1.425 24 residues pruned to eliminate duplicates Z: 70 52.976 2.185 1.001 0.617 0.913 0.551 CB 1.431 70 residues pruned to eliminate duplicates Z: 39 30.577 2.149 0.845 0.456 0.921 0.658 CB 1.421 40 residues pruned to eliminate duplicates Z: 15 32.525 2.293 0.926 0.893 0.929 0.643 CB 1.522 15 residues pruned to eliminate duplicates Z: 12 28.612 2.212 1.091 0.718 0.909 0.818 CA 1.684 12 residues pruned to eliminate duplicates Z: 6 2.497 1.433 0.864 0.402 0.600 0.400 CA 0.772 Z: 22 23.104 2.083 0.695 0.673 0.810 0.476 CB 1.505 22 residues pruned to eliminate duplicates Z: 16 10.409 1.996 0.479 0.379 0.800 0.467 CB 1.295 16 residues pruned to eliminate duplicates Z: 7 2.499 1.641 -0.103 0.379 0.667 0.500 N 1.183 Z: 10 13.588 1.824 0.553 0.845 1.000 0.667 CA 1.189 Z: 9 6.823 1.562 0.577 0.498 0.750 0.625 C 1.308 6 residues pruned to eliminate duplicates Z: 24 17.053 2.002 0.922 0.564 0.739 0.478 CB 1.174 24 residues pruned to eliminate duplicates Z: 15 13.392 1.924 0.396 0.472 0.929 0.500 CB 1.475 15 residues pruned to eliminate duplicates Z: 14 16.674 1.830 0.484 0.854 0.923 0.846 CA 1.362 14 residues pruned to eliminate duplicates Z: 23 19.830 2.080 0.867 0.353 0.818 0.636 CB 1.559 27 residues pruned to eliminate duplicates Z: 29 55.775 2.351 1.266 0.762 0.964 0.357 CB 1.626 29 residues pruned to eliminate duplicates Z: 7 4.202 1.862 -0.303 0.672 1.000 0.833 CB 1.127 Using tripeptides from previous cycle as seeds Z: 6 2.537 1.485 0.638 0.100 0.600 0.400 O 1.296 6 residues pruned to eliminate duplicates Z: 10 11.530 1.994 0.317 0.508 1.000 0.667 CB 1.451 10 residues pruned to eliminate duplicates Z: 13 10.337 1.835 0.547 0.464 0.917 0.500 CB 1.190 13 residues pruned to eliminate duplicates Z: 10 10.849 1.930 0.542 0.511 0.889 0.444 CB 1.352 10 residues pruned to eliminate duplicates Z: 16 11.510 1.849 0.340 0.526 0.867 0.467 CB 1.349 16 residues pruned to eliminate duplicates Z: 12 7.716 1.595 0.700 0.482 0.727 0.545 CB 1.202 12 residues pruned to eliminate duplicates Z: 10 13.290 1.968 0.667 0.569 0.889 0.556 CB 1.420 10 residues pruned to eliminate duplicates Z: 35 23.073 1.914 0.669 0.537 0.882 0.500 CB 1.353 35 residues pruned to eliminate duplicates Z: 23 20.728 2.033 0.499 0.612 0.864 0.409 CB 1.511 23 residues pruned to eliminate duplicates Z: 22 30.629 2.112 0.801 0.711 0.952 0.571 CB 1.524 22 residues pruned to eliminate duplicates Z: 23 24.358 2.067 0.579 0.665 0.909 0.500 CB 1.502 23 residues pruned to eliminate duplicates Z: 21 20.569 2.103 0.487 0.712 0.850 0.500 CB 1.428 21 residues pruned to eliminate duplicates Z: 31 24.823 2.063 0.637 0.588 0.833 0.367 CB 1.481 31 residues pruned to eliminate duplicates Z: 23 24.435 2.061 0.626 0.654 0.909 0.455 CB 1.482 23 residues pruned to eliminate duplicates Z: 10 5.908 1.547 0.699 0.351 0.778 0.222 C 1.132 10 residues pruned to eliminate duplicates Z: 18 20.209 1.962 0.700 0.719 0.824 0.353 CB 1.465 18 residues pruned to eliminate duplicates Z: 13 20.592 1.949 0.685 0.872 0.917 0.167 CB 1.439 13 residues pruned to eliminate duplicates Z: 48 35.466 2.058 0.965 0.558 0.894 0.447 CB 1.354 48 residues pruned to eliminate duplicates Z: 15 21.088 1.818 0.668 0.856 1.000 0.286 CB 1.371 13 residues pruned to eliminate duplicates Z: 17 23.519 1.784 0.788 0.802 1.000 0.188 CA 1.415 17 residues pruned to eliminate duplicates Z: 27 39.360 2.102 1.117 0.891 0.962 0.462 CB 1.297 27 residues pruned to eliminate duplicates Z: 79 55.090 2.213 1.082 0.542 0.846 0.513 CB 1.535 79 residues pruned to eliminate duplicates Z: 68 64.572 2.253 1.194 0.605 0.910 0.582 CB 1.586 68 residues pruned to eliminate duplicates Z: 50 62.822 2.322 1.149 0.678 0.939 0.571 CB 1.626 50 residues pruned to eliminate duplicates Z: 54 55.137 2.291 1.116 0.621 0.849 0.434 CB 1.641 54 residues pruned to eliminate duplicates Z: 77 62.024 2.253 1.069 0.557 0.895 0.461 CB 1.614 77 residues pruned to eliminate duplicates Z: 82 66.132 2.236 1.068 0.567 0.926 0.568 CB 1.608 82 residues pruned to eliminate duplicates Z: 62 57.452 2.241 1.080 0.596 0.934 0.574 CB 1.540 62 residues pruned to eliminate duplicates Z: 79 51.145 2.194 1.001 0.528 0.859 0.551 CB 1.494 79 residues pruned to eliminate duplicates Z: 70 64.220 2.239 1.202 0.626 0.870 0.594 CB 1.601 70 residues pruned to eliminate duplicates Z: 73 57.542 2.163 1.153 0.558 0.875 0.472 CB 1.572 73 residues pruned to eliminate duplicates Z: 82 67.327 2.256 1.250 0.578 0.889 0.580 CB 1.539 82 residues pruned to eliminate duplicates Z: 79 61.136 2.236 1.125 0.557 0.872 0.551 CB 1.581 79 residues pruned to eliminate duplicates Z: 74 66.776 2.258 1.194 0.586 0.890 0.616 CB 1.632 74 residues pruned to eliminate duplicates Z: 49 63.077 2.327 1.211 0.677 0.938 0.562 CB 1.604 49 residues pruned to eliminate duplicates Z: 65 66.563 2.262 1.191 0.629 0.906 0.656 CB 1.641 65 residues pruned to eliminate duplicates Z: 48 59.921 2.290 1.166 0.696 0.915 0.660 CB 1.610 48 residues pruned to eliminate duplicates Z: 64 58.989 2.190 1.092 0.587 0.937 0.492 CB 1.593 64 residues pruned to eliminate duplicates Z: 71 73.682 2.285 1.193 0.632 0.929 0.600 CB 1.672 72 residues pruned to eliminate duplicates Z: 6 4.510 1.618 0.490 0.367 1.000 0.400 CA 0.964 5 residues pruned to eliminate duplicates Z: 6 9.633 1.740 1.209 0.439 1.000 0.800 CA 1.194 6 residues pruned to eliminate duplicates Z: 14 13.182 2.153 0.357 0.393 0.846 0.462 CA 1.657 14 residues pruned to eliminate duplicates Z: 70 67.543 2.289 1.142 0.627 0.913 0.580 CB 1.612 70 residues pruned to eliminate duplicates Z: 69 61.067 2.212 1.200 0.577 0.897 0.574 CB 1.575 69 residues pruned to eliminate duplicates Z: 72 68.309 2.259 1.104 0.649 0.930 0.606 CB 1.596 72 residues pruned to eliminate duplicates Z: 26 27.219 2.108 1.006 0.434 0.920 0.680 CB 1.498 26 residues pruned to eliminate duplicates Z: 29 23.665 2.062 0.934 0.382 0.821 0.536 CB 1.547 29 residues pruned to eliminate duplicates Z: 17 20.365 2.184 1.257 0.403 0.750 0.688 CB 1.526 17 residues pruned to eliminate duplicates Z: 64 48.675 2.167 1.046 0.549 0.857 0.603 CB 1.537 64 residues pruned to eliminate duplicates Z: 25 27.113 2.092 1.147 0.429 0.875 0.542 CB 1.516 25 residues pruned to eliminate duplicates Z: 17 28.100 2.207 1.210 0.479 0.938 0.625 CA 1.569 22 residues pruned to eliminate duplicates Z: 7 5.175 1.513 0.675 0.708 0.667 0.500 CA 1.035 7 residues pruned to eliminate duplicates Z: 25 28.269 2.179 1.163 0.462 0.833 0.625 CB 1.527 25 residues pruned to eliminate duplicates Z: 26 21.652 2.083 0.968 0.400 0.880 0.560 CB 1.334 26 residues pruned to eliminate duplicates Z: 77 64.408 2.254 1.088 0.580 0.921 0.684 CB 1.578 77 residues pruned to eliminate duplicates Z: 80 63.974 2.249 1.059 0.567 0.873 0.532 CB 1.669 80 residues pruned to eliminate duplicates Z: 64 58.564 2.234 1.107 0.570 0.921 0.603 CB 1.591 64 residues pruned to eliminate duplicates Z: 44 56.765 2.222 1.278 0.656 0.930 0.465 CB 1.591 44 residues pruned to eliminate duplicates Z: 27 19.290 2.114 0.834 0.322 0.808 0.462 CB 1.470 27 residues pruned to eliminate duplicates 7 1.935 1.528 0.313 0.130 0.500 0.167 CB 1.249 ? Z: 67 61.080 2.254 1.137 0.595 0.879 0.636 CB 1.623 67 residues pruned to eliminate duplicates Z: 57 62.868 2.289 1.115 0.636 0.929 0.679 CB 1.644 57 residues pruned to eliminate duplicates Z: 61 51.685 2.241 1.027 0.606 0.867 0.667 CB 1.533 61 residues pruned to eliminate duplicates Z: 88 60.856 2.259 0.972 0.559 0.862 0.586 CB 1.604 88 residues pruned to eliminate duplicates Z: 73 63.529 2.260 1.146 0.609 0.875 0.625 CB 1.591 73 residues pruned to eliminate duplicates Z: 48 62.717 2.321 1.239 0.714 0.894 0.660 CB 1.623 48 residues pruned to eliminate duplicates Z: 60 67.825 2.266 1.177 0.626 0.966 0.627 CB 1.645 60 residues pruned to eliminate duplicates Z: 62 57.365 2.261 1.097 0.573 0.918 0.607 CB 1.573 62 residues pruned to eliminate duplicates Z: 50 60.497 2.272 1.276 0.675 0.898 0.694 CB 1.584 50 residues pruned to eliminate duplicates Z: 63 57.363 2.262 1.073 0.574 0.871 0.597 CB 1.660 63 residues pruned to eliminate duplicates Z: 89 65.626 2.240 1.092 0.554 0.875 0.614 CB 1.619 89 residues pruned to eliminate duplicates Z: 56 59.922 2.273 1.143 0.619 0.909 0.582 CB 1.631 56 residues pruned to eliminate duplicates Z: 61 53.008 2.198 1.057 0.588 0.883 0.600 CB 1.576 61 residues pruned to eliminate duplicates Z: 70 61.770 2.235 1.186 0.610 0.870 0.609 CB 1.576 70 residues pruned to eliminate duplicates Z: 58 65.254 2.243 1.224 0.632 0.947 0.684 CB 1.616 58 residues pruned to eliminate duplicates Z: 49 61.884 2.328 1.269 0.691 0.896 0.667 CB 1.584 49 residues pruned to eliminate duplicates Z: 48 63.652 2.274 1.212 0.693 0.936 0.638 CB 1.653 48 residues pruned to eliminate duplicates Z: 89 73.162 2.258 1.174 0.600 0.898 0.625 CB 1.609 89 residues pruned to eliminate duplicates Z: 71 64.457 2.269 1.226 0.623 0.886 0.671 CB 1.533 71 residues pruned to eliminate duplicates Z: 67 60.167 2.262 1.100 0.604 0.894 0.591 CB 1.580 67 residues pruned to eliminate duplicates Z: 69 59.296 2.250 1.172 0.585 0.882 0.588 CB 1.536 69 residues pruned to eliminate duplicates Z: 37 57.275 2.308 1.321 0.749 0.944 0.611 CB 1.511 37 residues pruned to eliminate duplicates Z: 48 64.154 2.299 1.278 0.691 0.936 0.638 CB 1.602 48 residues pruned to eliminate duplicates Z: 72 64.577 2.262 1.167 0.588 0.901 0.634 CB 1.594 72 residues pruned to eliminate duplicates Z: 17 22.838 2.125 0.957 0.429 0.875 0.438 CB 1.688 17 residues pruned to eliminate duplicates Z: 68 65.122 2.282 1.034 0.609 0.925 0.522 CB 1.670 68 residues pruned to eliminate duplicates Z: 81 58.892 2.214 1.028 0.588 0.875 0.550 CB 1.539 81 residues pruned to eliminate duplicates Z: 82 66.024 2.265 1.194 0.584 0.864 0.556 CB 1.576 82 residues pruned to eliminate duplicates Z: 82 66.757 2.250 1.077 0.582 0.901 0.568 CB 1.628 82 residues pruned to eliminate duplicates Z: 71 59.417 2.279 1.012 0.598 0.871 0.600 CB 1.619 71 residues pruned to eliminate duplicates Z: 24 20.460 2.129 0.817 0.461 0.783 0.478 CB 1.467 24 residues pruned to eliminate duplicates Z: 11 18.601 2.288 0.995 0.508 0.700 0.600 CA 1.825 11 residues pruned to eliminate duplicates Z: 68 57.422 2.259 1.068 0.590 0.866 0.642 CB 1.591 68 residues pruned to eliminate duplicates Z: 18 27.744 2.336 0.984 0.625 0.765 0.588 CB 1.688 18 residues pruned to eliminate duplicates Z: 73 69.225 2.280 1.131 0.617 0.875 0.556 CB 1.718 73 residues pruned to eliminate duplicates Z: 83 66.399 2.250 1.035 0.589 0.902 0.537 CB 1.630 83 residues pruned to eliminate duplicates Z: 19 21.970 2.119 0.715 0.541 0.889 0.389 CB 1.540 19 residues pruned to eliminate duplicates Z: 22 27.245 2.245 0.972 0.534 0.762 0.619 CB 1.704 22 residues pruned to eliminate duplicates Z: 19 32.544 2.303 1.333 0.591 0.778 0.667 CB 1.682 19 residues pruned to eliminate duplicates Z: 16 17.780 2.143 1.019 0.483 0.733 0.533 CB 1.471 16 residues pruned to eliminate duplicates Z: 92 70.834 2.262 1.149 0.566 0.890 0.549 CB 1.610 92 residues pruned to eliminate duplicates Z: 14 18.660 2.170 0.981 0.425 0.846 0.462 CA 1.538 14 residues pruned to eliminate duplicates Z: 7 24.397 2.401 1.120 0.626 0.833 0.667 N 2.085 7 residues pruned to eliminate duplicates Z: 22 28.971 2.218 1.244 0.554 0.762 0.619 CB 1.582 22 residues pruned to eliminate duplicates Z: 23 25.123 2.202 1.149 0.500 0.727 0.409 CB 1.556 23 residues pruned to eliminate duplicates Z: 14 25.885 2.213 1.069 0.461 0.923 0.462 CA 1.768 14 residues pruned to eliminate duplicates Z: 106 51.410 2.132 0.795 0.574 0.848 0.533 CB 1.440 106 residues pruned to eliminate duplicates Z: 23 20.867 2.020 0.835 0.420 0.909 0.455 CB 1.436 23 residues pruned to eliminate duplicates Z: 6 3.203 1.497 0.702 0.237 0.800 0.000 CB 0.954 6 residues pruned to eliminate duplicates Z: 23 19.605 1.967 0.755 0.411 0.909 0.591 CB 1.462 23 residues pruned to eliminate duplicates Z: 6 2.972 1.650 0.825 0.251 0.800 0.200 CA 0.734 6 residues pruned to eliminate duplicates Z: 20 19.347 1.924 0.981 0.413 0.895 0.579 CB 1.425 20 residues pruned to eliminate duplicates Z: 53 56.089 2.250 0.953 0.661 0.942 0.615 CB 1.618 53 residues pruned to eliminate duplicates Z: 23 18.388 2.000 0.881 0.445 0.818 0.500 CB 1.348 23 residues pruned to eliminate duplicates Z: 22 14.436 1.959 0.733 0.411 0.810 0.571 CB 1.258 22 residues pruned to eliminate duplicates Z: 55 55.000 2.295 0.922 0.667 0.944 0.611 CB 1.540 55 residues pruned to eliminate duplicates Z: 58 54.043 2.246 0.936 0.634 0.947 0.614 CB 1.533 58 residues pruned to eliminate duplicates Z: 31 16.501 1.892 0.662 0.327 0.867 0.467 CB 1.337 31 residues pruned to eliminate duplicates Z: 40 16.608 1.879 0.717 0.353 0.795 0.538 CB 1.215 40 residues pruned to eliminate duplicates Z: 19 21.638 2.064 0.926 0.500 0.889 0.611 CB 1.444 19 residues pruned to eliminate duplicates Z: 89 48.956 2.168 0.864 0.545 0.852 0.625 CB 1.450 89 residues pruned to eliminate duplicates Z: 57 51.527 2.254 0.943 0.632 0.893 0.607 CB 1.555 57 residues pruned to eliminate duplicates Z: 22 16.225 2.020 0.790 0.404 0.857 0.571 CB 1.264 22 residues pruned to eliminate duplicates Z: 20 8.261 1.921 0.339 0.285 0.842 0.474 CB 1.115 20 residues pruned to eliminate duplicates Z: 54 50.528 2.288 0.924 0.651 0.887 0.660 CB 1.545 54 residues pruned to eliminate duplicates Z: 47 53.699 2.306 1.026 0.668 0.913 0.696 CB 1.590 47 residues pruned to eliminate duplicates Z: 48 57.665 2.334 1.079 0.694 0.894 0.532 CB 1.625 48 residues pruned to eliminate duplicates Z: 73 53.932 2.221 0.984 0.585 0.917 0.528 CB 1.450 73 residues pruned to eliminate duplicates Z: 50 55.492 2.315 1.039 0.676 0.939 0.633 CB 1.522 50 residues pruned to eliminate duplicates Z: 57 51.898 2.253 0.922 0.618 0.929 0.643 CB 1.542 57 residues pruned to eliminate duplicates Z: 53 55.666 2.303 1.000 0.659 0.942 0.654 CB 1.536 53 residues pruned to eliminate duplicates Z: 51 54.430 2.289 1.088 0.665 0.920 0.720 CB 1.502 51 residues pruned to eliminate duplicates Z: 69 53.562 2.249 0.927 0.616 0.897 0.632 CB 1.497 69 residues pruned to eliminate duplicates Z: 55 51.875 2.272 1.007 0.675 0.889 0.611 CB 1.483 55 residues pruned to eliminate duplicates Z: 39 58.721 2.332 1.185 0.724 0.947 0.711 CB 1.612 39 residues pruned to eliminate duplicates Z: 71 55.892 2.227 0.937 0.594 0.929 0.657 CB 1.524 71 residues pruned to eliminate duplicates Z: 48 59.647 2.325 1.120 0.681 0.936 0.681 CB 1.596 48 residues pruned to eliminate duplicates Z: 55 53.547 2.266 1.070 0.638 0.926 0.593 CB 1.474 55 residues pruned to eliminate duplicates Z: 50 53.706 2.295 0.956 0.658 0.939 0.673 CB 1.572 50 residues pruned to eliminate duplicates Z: 53 53.618 2.301 1.091 0.645 0.904 0.692 CB 1.494 53 residues pruned to eliminate duplicates Z: 88 54.214 2.212 0.878 0.571 0.885 0.598 CB 1.476 88 residues pruned to eliminate duplicates Z: 33 59.884 2.396 1.197 0.771 0.969 0.688 CB 1.634 33 residues pruned to eliminate duplicates Z: 66 57.058 2.271 0.943 0.612 0.908 0.677 CB 1.588 66 residues pruned to eliminate duplicates Z: 68 56.098 2.265 0.988 0.613 0.910 0.687 CB 1.503 68 residues pruned to eliminate duplicates Z: 34 63.670 2.432 1.170 0.799 0.970 0.636 CB 1.667 34 residues pruned to eliminate duplicates Z: 52 52.783 2.294 1.087 0.641 0.902 0.706 CB 1.500 52 residues pruned to eliminate duplicates Z: 70 52.186 2.242 0.959 0.594 0.855 0.667 CB 1.529 70 residues pruned to eliminate duplicates Z: 74 54.925 2.196 0.977 0.573 0.904 0.658 CB 1.526 74 residues pruned to eliminate duplicates Z: 52 54.714 2.288 1.070 0.651 0.902 0.686 CB 1.558 52 residues pruned to eliminate duplicates Z: 51 57.393 2.318 1.105 0.670 0.920 0.680 CB 1.545 51 residues pruned to eliminate duplicates Z: 54 50.655 2.231 1.102 0.608 0.906 0.642 CB 1.479 54 residues pruned to eliminate duplicates Z: 71 52.823 2.216 1.007 0.585 0.886 0.657 CB 1.477 71 residues pruned to eliminate duplicates Z: 52 53.820 2.292 1.129 0.641 0.902 0.529 CB 1.501 52 residues pruned to eliminate duplicates Z: 69 52.606 2.220 0.971 0.595 0.882 0.574 CB 1.508 69 residues pruned to eliminate duplicates Z: 75 54.915 2.236 0.981 0.580 0.892 0.622 CB 1.496 75 residues pruned to eliminate duplicates Z: 64 52.631 2.250 0.956 0.619 0.857 0.524 CB 1.571 64 residues pruned to eliminate duplicates Z: 53 51.447 2.259 0.968 0.662 0.904 0.558 CB 1.528 53 residues pruned to eliminate duplicates Z: 70 57.923 2.245 1.064 0.607 0.899 0.594 CB 1.514 70 residues pruned to eliminate duplicates Z: 50 58.595 2.308 1.131 0.663 0.918 0.735 CB 1.593 50 residues pruned to eliminate duplicates Z: 71 52.793 2.243 0.954 0.578 0.900 0.529 CB 1.484 71 residues pruned to eliminate duplicates Z: 57 49.306 2.190 1.104 0.621 0.875 0.571 CB 1.458 57 residues pruned to eliminate duplicates Z: 59 49.756 2.210 0.992 0.619 0.879 0.569 CB 1.508 59 residues pruned to eliminate duplicates Z: 77 52.921 2.182 0.952 0.581 0.908 0.618 CB 1.452 77 residues pruned to eliminate duplicates Z: 73 55.764 2.215 1.050 0.583 0.917 0.681 CB 1.457 73 residues pruned to eliminate duplicates Z: 68 58.904 2.261 1.042 0.620 0.910 0.687 CB 1.528 68 residues pruned to eliminate duplicates Z: 68 58.522 2.261 0.981 0.620 0.896 0.627 CB 1.591 68 residues pruned to eliminate duplicates Z: 66 57.863 2.257 1.078 0.622 0.892 0.585 CB 1.529 66 residues pruned to eliminate duplicates Z: 50 57.739 2.311 1.046 0.668 0.918 0.592 CB 1.626 50 residues pruned to eliminate duplicates Z: 53 53.614 2.258 1.101 0.665 0.923 0.462 CB 1.457 53 residues pruned to eliminate duplicates Z: 51 61.059 2.330 1.204 0.667 0.940 0.620 CB 1.533 51 residues pruned to eliminate duplicates Z: 50 60.599 2.325 1.172 0.675 0.918 0.673 CB 1.588 50 residues pruned to eliminate duplicates Z: 10 5.449 1.773 0.506 0.132 0.778 0.222 CB 1.384 10 residues pruned to eliminate duplicates Z: 79 53.432 2.199 0.877 0.585 0.910 0.641 CB 1.485 79 residues pruned to eliminate duplicates Z: 11 10.108 1.839 0.387 0.504 0.900 0.700 CB 1.387 11 residues pruned to eliminate duplicates Z: 7 3.045 1.939 -0.017 0.284 1.000 0.500 CB 0.831 7 residues pruned to eliminate duplicates Z: 83 47.957 2.151 0.945 0.553 0.866 0.500 CB 1.388 83 residues pruned to eliminate duplicates Z: 22 23.237 2.150 0.975 0.555 0.857 0.571 CB 1.320 22 residues pruned to eliminate duplicates Z: 41 29.451 2.055 0.690 0.562 0.825 0.575 CB 1.530 41 residues pruned to eliminate duplicates Z: 22 24.338 2.116 1.045 0.558 0.905 0.667 CB 1.283 22 residues pruned to eliminate duplicates Z: 15 14.537 1.980 1.081 0.480 0.786 0.643 CB 1.225 15 residues pruned to eliminate duplicates Z: 20 26.363 2.218 1.068 0.590 0.789 0.579 CB 1.532 20 residues pruned to eliminate duplicates Z: 12 17.898 2.231 0.541 0.571 0.909 0.364 CB 1.613 12 residues pruned to eliminate duplicates Z: 21 22.217 2.105 0.887 0.578 0.750 0.550 CB 1.547 21 residues pruned to eliminate duplicates Z: 36 26.736 2.102 0.938 0.483 0.829 0.457 CB 1.362 36 residues pruned to eliminate duplicates Z: 21 28.107 2.157 1.169 0.636 0.850 0.550 CB 1.391 21 residues pruned to eliminate duplicates Z: 20 24.266 2.158 0.988 0.594 0.789 0.579 CB 1.503 20 residues pruned to eliminate duplicates Z: 10 18.300 2.292 0.898 0.578 0.889 0.667 CB 1.463 10 residues pruned to eliminate duplicates Z: 13 16.451 2.212 0.694 0.527 0.833 0.500 CB 1.481 13 residues pruned to eliminate duplicates Z: 20 24.758 2.187 1.065 0.524 0.842 0.632 CB 1.459 20 residues pruned to eliminate duplicates Z: 12 22.807 2.261 0.969 0.520 1.000 0.364 CB 1.515 12 residues pruned to eliminate duplicates Z: 7 3.332 1.569 0.494 0.367 0.667 0.667 CB 1.004 7 residues pruned to eliminate duplicates Z: 11 5.181 1.644 0.772 0.149 0.800 0.200 CA 1.084 11 residues pruned to eliminate duplicates Z: 7 4.296 1.675 0.512 0.360 0.667 0.500 C 1.208 17 residues pruned to eliminate duplicates Z: 10 5.586 1.714 0.505 0.345 0.778 0.333 CB 1.099 10 residues pruned to eliminate duplicates Z: 32 20.727 1.965 1.038 0.417 0.774 0.452 CB 1.309 32 residues pruned to eliminate duplicates Z: 41 42.806 2.099 0.894 0.695 0.925 0.725 CB 1.540 41 residues pruned to eliminate duplicates Z: 45 55.224 2.200 1.013 0.732 0.932 0.659 CB 1.639 45 residues pruned to eliminate duplicates Z: 54 47.561 2.161 0.878 0.648 0.887 0.717 CB 1.581 54 residues pruned to eliminate duplicates Z: 55 51.253 2.199 0.976 0.612 0.907 0.574 CB 1.590 55 residues pruned to eliminate duplicates Z: 58 48.347 2.205 0.870 0.634 0.877 0.684 CB 1.561 58 residues pruned to eliminate duplicates Z: 55 53.468 2.190 0.966 0.650 0.907 0.685 CB 1.619 55 residues pruned to eliminate duplicates Z: 58 45.650 2.149 0.855 0.593 0.912 0.614 CB 1.521 58 residues pruned to eliminate duplicates Z: 54 49.282 2.149 0.964 0.677 0.925 0.660 CB 1.474 54 residues pruned to eliminate duplicates Z: 54 52.626 2.165 1.024 0.632 0.906 0.585 CB 1.608 54 residues pruned to eliminate duplicates Z: 59 49.416 2.118 0.869 0.630 0.931 0.690 CB 1.558 59 residues pruned to eliminate duplicates Z: 50 57.830 2.239 1.048 0.695 0.959 0.776 CB 1.571 50 residues pruned to eliminate duplicates Z: 39 40.706 2.170 1.025 0.715 0.921 0.684 CB 1.343 39 residues pruned to eliminate duplicates Z: 34 52.796 2.215 1.193 0.813 0.939 0.697 CB 1.534 34 residues pruned to eliminate duplicates Z: 32 58.931 2.247 1.139 0.851 1.000 0.742 CB 1.631 32 residues pruned to eliminate duplicates Z: 52 49.661 2.185 0.994 0.657 0.882 0.647 CB 1.563 52 residues pruned to eliminate duplicates Z: 38 44.643 2.149 1.062 0.697 0.919 0.703 CB 1.505 38 residues pruned to eliminate duplicates Z: 70 49.685 2.195 0.850 0.591 0.855 0.580 CB 1.580 70 residues pruned to eliminate duplicates Z: 37 46.525 2.172 1.065 0.741 0.972 0.722 CB 1.433 37 residues pruned to eliminate duplicates Z: 35 50.469 2.159 1.108 0.709 0.971 0.647 CB 1.621 35 residues pruned to eliminate duplicates Z: 53 53.223 2.206 1.007 0.682 0.923 0.692 CB 1.529 53 residues pruned to eliminate duplicates Z: 46 40.912 2.107 0.948 0.621 0.911 0.689 CB 1.454 46 residues pruned to eliminate duplicates Z: 51 57.393 2.229 1.097 0.685 0.940 0.680 CB 1.559 51 residues pruned to eliminate duplicates Z: 51 52.310 2.224 0.960 0.689 0.940 0.660 CB 1.518 51 residues pruned to eliminate duplicates Z: 52 53.122 2.213 0.975 0.655 0.922 0.647 CB 1.599 52 residues pruned to eliminate duplicates Z: 56 49.089 2.126 1.033 0.657 0.909 0.655 CB 1.457 56 residues pruned to eliminate duplicates Z: 54 50.068 2.208 0.886 0.650 0.906 0.679 CB 1.586 54 residues pruned to eliminate duplicates Z: 49 36.932 2.035 0.833 0.599 0.917 0.667 CB 1.418 49 residues pruned to eliminate duplicates Z: 34 50.678 2.221 1.047 0.777 0.970 0.606 CB 1.567 34 residues pruned to eliminate duplicates Z: 56 55.668 2.192 0.985 0.679 0.927 0.709 CB 1.578 56 residues pruned to eliminate duplicates Z: 55 48.615 2.159 0.908 0.638 0.926 0.685 CB 1.524 55 residues pruned to eliminate duplicates Z: 52 53.545 2.213 0.887 0.684 0.922 0.667 CB 1.645 52 residues pruned to eliminate duplicates Z: 49 56.368 2.211 1.045 0.722 0.938 0.708 CB 1.570 49 residues pruned to eliminate duplicates Z: 50 60.448 2.253 0.997 0.716 0.939 0.735 CB 1.682 50 residues pruned to eliminate duplicates Z: 51 54.260 2.217 0.929 0.659 0.960 0.660 CB 1.613 51 residues pruned to eliminate duplicates Z: 50 54.475 2.231 1.111 0.693 0.898 0.612 CB 1.542 50 residues pruned to eliminate duplicates Z: 21 17.888 2.072 0.543 0.429 0.850 0.450 CB 1.584 21 residues pruned to eliminate duplicates Z: 50 49.967 2.230 0.882 0.675 0.918 0.592 CB 1.576 50 residues pruned to eliminate duplicates Z: 25 19.823 2.150 0.652 0.388 0.750 0.500 CB 1.711 25 residues pruned to eliminate duplicates Z: 17 18.305 2.120 0.862 0.449 0.750 0.500 CB 1.628 17 residues pruned to eliminate duplicates Z: 53 49.087 2.179 0.947 0.662 0.885 0.635 CB 1.560 53 residues pruned to eliminate duplicates Z: 54 54.169 2.195 0.981 0.663 0.925 0.660 CB 1.592 54 residues pruned to eliminate duplicates Z: 53 50.851 2.178 0.912 0.673 0.904 0.712 CB 1.598 53 residues pruned to eliminate duplicates Z: 7 8.067 1.917 0.530 0.373 0.833 0.667 CB 1.544 7 residues pruned to eliminate duplicates Z: 14 9.134 1.810 0.212 0.371 0.846 0.538 CA 1.568 14 residues pruned to eliminate duplicates Z: 24 22.836 2.201 0.757 0.431 0.826 0.522 CB 1.600 24 residues pruned to eliminate duplicates Z: 75 49.700 2.183 0.817 0.597 0.851 0.581 CB 1.560 75 residues pruned to eliminate duplicates 6 1.991 1.565 0.287 0.275 0.600 0.000 N 0.951 ? Z: 10 9.158 2.017 0.627 0.541 0.667 0.444 CA 1.340 10 residues pruned to eliminate duplicates Z: 7 15.476 2.198 0.693 0.696 0.833 0.833 CB 1.703 7 residues pruned to eliminate duplicates Z: 65 53.966 2.184 1.040 0.673 0.875 0.719 CB 1.475 65 residues pruned to eliminate duplicates Z: 10 15.046 2.097 0.774 0.585 0.778 0.778 CB 1.597 10 residues pruned to eliminate duplicates Z: 58 53.625 2.208 1.064 0.687 0.895 0.614 CB 1.467 58 residues pruned to eliminate duplicates Z: 49 29.338 2.096 0.549 0.595 0.833 0.500 CB 1.430 49 residues pruned to eliminate duplicates Z: 14 13.400 2.076 0.770 0.493 0.769 0.538 CB 1.324 14 residues pruned to eliminate duplicates Z: 15 21.502 2.193 0.792 0.534 0.929 0.429 CB 1.523 15 residues pruned to eliminate duplicates Z: 22 25.403 2.164 0.800 0.576 0.905 0.667 CB 1.462 22 residues pruned to eliminate duplicates Z: 97 65.546 2.202 0.898 0.627 0.927 0.531 CB 1.533 104 residues pruned to eliminate duplicates Z: 6 4.770 1.730 0.216 0.380 1.000 0.400 CA 1.152 6 residues pruned to eliminate duplicates Z: 41 31.560 2.162 0.628 0.572 0.925 0.425 CB 1.429 41 residues pruned to eliminate duplicates Z: 80 55.785 2.171 0.859 0.622 0.924 0.595 CB 1.501 80 residues pruned to eliminate duplicates Z: 47 37.557 2.143 0.788 0.594 0.913 0.565 CB 1.446 47 residues pruned to eliminate duplicates Z: 41 30.195 2.139 0.562 0.585 0.900 0.550 CB 1.464 41 residues pruned to eliminate duplicates Z: 41 31.390 2.148 0.653 0.559 0.900 0.400 CB 1.467 41 residues pruned to eliminate duplicates Z: 94 57.283 2.191 0.774 0.633 0.892 0.634 CB 1.510 94 residues pruned to eliminate duplicates Z: 41 34.401 2.148 0.761 0.594 0.925 0.500 CB 1.421 41 residues pruned to eliminate duplicates Z: 6 6.596 1.491 1.230 0.650 1.000 0.400 CB 0.772 6 residues pruned to eliminate duplicates Z: 25 29.387 2.118 0.641 0.675 0.958 0.542 CB 1.533 25 residues pruned to eliminate duplicates Z: 25 21.954 2.123 0.532 0.639 0.833 0.583 CB 1.452 25 residues pruned to eliminate duplicates Z: 26 22.039 2.083 0.574 0.627 0.840 0.600 CB 1.420 26 residues pruned to eliminate duplicates Z: 26 26.771 2.075 0.763 0.638 0.880 0.600 CB 1.462 26 residues pruned to eliminate duplicates Z: 49 36.759 2.123 0.726 0.569 0.917 0.417 CB 1.477 49 residues pruned to eliminate duplicates Z: 47 40.674 2.140 0.866 0.625 0.913 0.587 CB 1.462 47 residues pruned to eliminate duplicates Z: 32 22.218 1.966 0.579 0.570 0.871 0.387 CB 1.380 32 residues pruned to eliminate duplicates Z: 18 20.182 1.897 0.596 0.740 1.000 0.588 CA 1.304 18 residues pruned to eliminate duplicates Z: 29 24.307 2.066 0.712 0.593 0.857 0.571 CB 1.386 29 residues pruned to eliminate duplicates Z: 27 26.485 2.070 0.600 0.605 0.962 0.462 CB 1.475 27 residues pruned to eliminate duplicates Z: 26 24.992 2.076 0.770 0.616 0.880 0.480 CB 1.385 26 residues pruned to eliminate duplicates Z: 26 28.629 2.124 0.668 0.645 0.960 0.520 CB 1.470 26 residues pruned to eliminate duplicates Z: 27 29.703 2.083 0.809 0.672 0.885 0.577 CB 1.491 27 residues pruned to eliminate duplicates Z: 20 28.793 2.155 0.755 0.769 0.895 0.526 CA 1.538 20 residues pruned to eliminate duplicates Z: 59 45.907 2.199 0.848 0.598 0.879 0.586 CB 1.536 59 residues pruned to eliminate duplicates Z: 40 34.164 2.149 0.809 0.600 0.897 0.487 CB 1.425 40 residues pruned to eliminate duplicates Z: 15 21.833 1.954 0.657 0.872 1.000 0.643 CA 1.314 15 residues pruned to eliminate duplicates Z: 26 25.223 2.105 0.658 0.621 0.880 0.440 CB 1.465 26 residues pruned to eliminate duplicates Z: 31 27.195 1.934 0.812 0.597 0.900 0.467 CB 1.436 31 residues pruned to eliminate duplicates Z: 25 31.133 2.127 0.681 0.672 1.000 0.458 CA 1.517 25 residues pruned to eliminate duplicates Z: 6 3.072 1.933 0.729 0.100 0.600 0.200 CA 1.141 6 residues pruned to eliminate duplicates Z: 26 12.407 1.800 0.487 0.411 0.880 0.560 CB 1.157 26 residues pruned to eliminate duplicates Z: 11 11.318 2.030 0.433 0.552 0.900 0.500 CB 1.300 11 residues pruned to eliminate duplicates Z: 11 12.577 2.006 0.488 0.610 0.900 0.700 CB 1.334 11 residues pruned to eliminate duplicates Z: 12 6.925 1.938 0.207 0.470 0.818 0.455 CB 1.124 12 residues pruned to eliminate duplicates Z: 70 43.550 2.081 0.769 0.608 0.899 0.565 CB 1.431 70 residues pruned to eliminate duplicates Z: 6 5.421 1.920 0.404 0.371 0.800 0.600 CA 1.290 6 residues pruned to eliminate duplicates Z: 54 48.056 2.155 0.896 0.682 0.925 0.566 CB 1.478 54 residues pruned to eliminate duplicates Z: 55 46.143 2.129 0.917 0.660 0.926 0.667 CB 1.432 55 residues pruned to eliminate duplicates Z: 66 46.118 2.103 0.816 0.624 0.908 0.600 CB 1.468 70 residues pruned to eliminate duplicates Z: 6 5.066 1.621 1.190 0.296 0.800 0.600 CB 1.002 6 residues pruned to eliminate duplicates Z: 55 46.995 2.151 0.936 0.662 0.907 0.722 CB 1.457 55 residues pruned to eliminate duplicates Z: 57 41.979 2.124 0.787 0.605 0.929 0.696 CB 1.441 57 residues pruned to eliminate duplicates Z: 44 34.416 2.131 0.722 0.606 0.953 0.721 CB 1.357 44 residues pruned to eliminate duplicates Z: 63 40.388 2.075 0.783 0.588 0.903 0.645 CB 1.411 63 residues pruned to eliminate duplicates Z: 53 43.659 2.178 0.781 0.653 0.923 0.731 CB 1.466 53 residues pruned to eliminate duplicates Z: 48 45.350 2.184 0.860 0.689 0.936 0.809 CB 1.463 48 residues pruned to eliminate duplicates Z: 31 44.939 2.215 1.046 0.720 0.933 0.800 CB 1.590 31 residues pruned to eliminate duplicates Z: 55 41.274 2.102 0.789 0.649 0.926 0.704 CB 1.404 55 residues pruned to eliminate duplicates Z: 37 43.651 2.236 0.983 0.706 0.944 0.694 CB 1.441 37 residues pruned to eliminate duplicates Z: 74 41.281 2.083 0.715 0.571 0.877 0.630 CB 1.441 74 residues pruned to eliminate duplicates Z: 54 44.341 2.162 0.836 0.650 0.943 0.698 CB 1.414 54 residues pruned to eliminate duplicates Z: 42 41.849 2.188 0.925 0.674 0.951 0.683 CB 1.390 42 residues pruned to eliminate duplicates Z: 69 37.873 2.040 0.712 0.563 0.926 0.691 CB 1.336 69 residues pruned to eliminate duplicates Z: 46 46.181 2.131 0.930 0.713 0.933 0.600 CB 1.478 46 residues pruned to eliminate duplicates Z: 68 44.629 2.097 0.770 0.610 0.925 0.642 CB 1.430 68 residues pruned to eliminate duplicates Z: 53 50.055 2.185 0.958 0.678 0.942 0.731 CB 1.462 53 residues pruned to eliminate duplicates Z: 54 46.324 2.159 0.867 0.662 0.943 0.717 CB 1.440 54 residues pruned to eliminate duplicates Z: 45 46.804 2.156 0.939 0.711 0.955 0.705 CB 1.461 45 residues pruned to eliminate duplicates Z: 42 39.030 2.134 1.022 0.637 0.927 0.780 CB 1.341 42 residues pruned to eliminate duplicates Z: 46 48.160 2.153 0.994 0.718 0.933 0.689 CB 1.472 46 residues pruned to eliminate duplicates Z: 68 44.967 2.105 0.849 0.603 0.925 0.657 CB 1.382 68 residues pruned to eliminate duplicates Z: 57 39.019 2.120 0.801 0.588 0.911 0.589 CB 1.378 57 residues pruned to eliminate duplicates Z: 57 38.043 2.132 0.785 0.601 0.857 0.607 CB 1.415 57 residues pruned to eliminate duplicates Z: 47 49.862 2.205 0.996 0.680 0.957 0.543 CB 1.480 47 residues pruned to eliminate duplicates Z: 48 47.074 2.177 1.023 0.667 0.915 0.702 CB 1.461 48 residues pruned to eliminate duplicates Z: 60 42.169 2.102 0.815 0.601 0.915 0.593 CB 1.428 60 residues pruned to eliminate duplicates Z: 59 42.137 2.091 0.889 0.595 0.897 0.621 CB 1.427 59 residues pruned to eliminate duplicates Z: 45 48.151 2.138 1.028 0.701 0.909 0.614 CB 1.533 45 residues pruned to eliminate duplicates Z: 53 46.354 2.175 0.917 0.654 0.942 0.577 CB 1.418 53 residues pruned to eliminate duplicates Z: 48 49.309 2.171 1.060 0.665 0.957 0.574 CB 1.441 48 residues pruned to eliminate duplicates Z: 71 41.377 2.051 0.784 0.583 0.886 0.514 CB 1.409 71 residues pruned to eliminate duplicates Z: 55 50.311 2.160 1.017 0.664 0.926 0.648 CB 1.458 55 residues pruned to eliminate duplicates Z: 63 40.526 2.077 0.862 0.611 0.871 0.629 CB 1.376 63 residues pruned to eliminate duplicates Z: 69 44.080 2.082 0.882 0.585 0.897 0.588 CB 1.401 69 residues pruned to eliminate duplicates Z: 48 47.282 2.120 1.013 0.696 0.915 0.681 CB 1.477 48 residues pruned to eliminate duplicates Z: 54 45.048 2.147 1.038 0.644 0.887 0.585 CB 1.394 54 residues pruned to eliminate duplicates Z: 57 40.358 2.113 0.879 0.601 0.893 0.571 CB 1.381 57 residues pruned to eliminate duplicates Z: 61 40.775 2.084 0.806 0.622 0.917 0.583 CB 1.359 61 residues pruned to eliminate duplicates Z: 45 52.547 2.163 1.020 0.740 0.977 0.659 CB 1.496 45 residues pruned to eliminate duplicates Z: 55 46.126 2.147 0.970 0.624 0.926 0.630 CB 1.425 55 residues pruned to eliminate duplicates Z: 54 44.463 2.154 0.963 0.648 0.906 0.679 CB 1.389 54 residues pruned to eliminate duplicates Z: 67 42.557 2.106 0.877 0.588 0.879 0.591 CB 1.385 67 residues pruned to eliminate duplicates Z: 69 43.917 2.098 0.878 0.599 0.882 0.544 CB 1.394 69 residues pruned to eliminate duplicates Z: 63 47.696 2.160 0.922 0.627 0.903 0.677 CB 1.434 63 residues pruned to eliminate duplicates Z: 67 43.842 2.112 0.833 0.595 0.894 0.621 CB 1.424 67 residues pruned to eliminate duplicates Z: 13 14.233 2.039 0.744 0.561 0.750 0.667 CB 1.452 18 residues pruned to eliminate duplicates Z: 6 2.606 1.404 0.399 0.339 0.600 0.400 N 1.179 6 residues pruned to eliminate duplicates Z: 11 17.750 2.147 0.849 0.647 0.900 0.600 CB 1.369 11 residues pruned to eliminate duplicates Z: 71 41.179 2.077 0.779 0.598 0.857 0.671 CB 1.416 71 residues pruned to eliminate duplicates Z: 12 14.793 2.043 0.774 0.594 0.818 0.636 CB 1.375 12 residues pruned to eliminate duplicates Z: 13 21.272 1.938 1.046 0.665 0.917 0.667 CB 1.450 12 residues pruned to eliminate duplicates Z: 6 5.308 1.940 0.992 0.189 0.600 0.200 CB 1.486 6 residues pruned to eliminate duplicates Z: 22 21.836 2.158 0.496 0.522 0.952 0.476 CB 1.516 22 residues pruned to eliminate duplicates Z: 21 16.317 2.092 0.555 0.414 0.800 0.300 CB 1.534 21 residues pruned to eliminate duplicates Z: 35 30.768 2.111 0.641 0.603 0.853 0.618 CB 1.619 35 residues pruned to eliminate duplicates Z: 15 15.067 2.034 0.818 0.442 0.786 0.429 CA 1.472 15 residues pruned to eliminate duplicates Z: 22 20.272 2.110 0.621 0.512 0.905 0.476 CB 1.413 22 residues pruned to eliminate duplicates Z: 32 28.139 2.082 0.482 0.638 0.903 0.548 CB 1.593 32 residues pruned to eliminate duplicates Z: 59 34.887 2.047 0.686 0.542 0.828 0.500 CB 1.540 47 residues pruned to eliminate duplicates Z: 6 5.642 1.819 0.841 0.392 0.600 0.200 CA 1.407 6 residues pruned to eliminate duplicates Z: 23 30.537 2.284 0.849 0.680 0.818 0.409 CA 1.597 23 residues pruned to eliminate duplicates Z: 26 31.373 2.253 0.819 0.585 0.840 0.560 CB 1.680 26 residues pruned to eliminate duplicates Z: 22 41.652 2.510 0.903 0.717 0.952 0.667 CB 1.642 23 residues pruned to eliminate duplicates Z: 16 27.511 2.265 0.945 0.656 0.867 0.667 CA 1.610 16 residues pruned to eliminate duplicates Z: 28 33.676 2.331 0.892 0.572 0.815 0.370 CB 1.683 28 residues pruned to eliminate duplicates Z: 19 27.035 2.284 0.890 0.654 0.778 0.556 CB 1.644 19 residues pruned to eliminate duplicates Z: 35 42.339 2.303 0.775 0.645 0.912 0.618 CB 1.702 35 residues pruned to eliminate duplicates Z: 35 38.803 2.275 0.879 0.595 0.882 0.412 CB 1.611 35 residues pruned to eliminate duplicates Z: 22 37.575 2.395 0.813 0.748 0.857 0.476 CB 1.766 22 residues pruned to eliminate duplicates Z: 21 37.701 2.436 0.673 0.724 0.950 0.450 CB 1.778 21 residues pruned to eliminate duplicates Z: 23 36.495 2.328 0.864 0.753 0.909 0.500 CB 1.574 23 residues pruned to eliminate duplicates Z: 20 29.861 2.313 0.687 0.748 0.842 0.526 CB 1.671 20 residues pruned to eliminate duplicates Z: 15 36.283 2.319 1.046 0.914 1.000 0.500 CB 1.446 14 residues pruned to eliminate duplicates Z: 15 31.701 2.323 0.774 0.902 0.929 0.357 CB 1.579 15 residues pruned to eliminate duplicates Z: 13 42.499 2.383 1.151 0.940 1.000 0.500 CB 1.662 13 residues pruned to eliminate duplicates Z: 15 35.398 2.294 1.112 0.909 0.929 0.714 CB 1.493 15 residues pruned to eliminate duplicates 439 residues left after pruning, divided into chains as follows: A: 15 B: 119 C: 128 D: 15 E: 59 F: 63 G: 40 CC for partial structure against native data = 41.56 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.490, Connect. = 0.716 for dens.mod. cycle 1 = 0.300, Contrast = 0.562, Connect. = 0.745 for dens.mod. cycle 2 = 0.300, Contrast = 0.665, Connect. = 0.774 for dens.mod. cycle 3 = 0.300, Contrast = 0.676, Connect. = 0.776 for dens.mod. cycle 4 = 0.300, Contrast = 0.687, Connect. = 0.778 for dens.mod. cycle 5 = 0.300, Contrast = 0.692, Connect. = 0.780 for dens.mod. cycle 6 = 0.300, Contrast = 0.696, Connect. = 0.781 for dens.mod. cycle 7 = 0.300, Contrast = 0.698, Connect. = 0.782 for dens.mod. cycle 8 = 0.300, Contrast = 0.699, Connect. = 0.783 for dens.mod. cycle 9 = 0.300, Contrast = 0.699, Connect. = 0.784 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2529 peaks > 0.5 sigma used to seed fragment search Space for about 662 unique residues taking solvent into account 601 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 8 31.778 2.418 1.798 0.697 0.857 0.714 CB 1.731 B: 11 34.206 2.459 0.805 0.914 1.000 1.000 CB 1.722 C: 20 26.383 2.234 0.831 0.517 0.842 0.421 CB 1.728 8 residues pruned to eliminate duplicates D: 23 28.839 2.291 0.598 0.714 0.864 0.500 CB 1.602 13 residues pruned to eliminate duplicates E: 16 19.936 2.073 0.947 0.528 0.867 0.533 CB 1.431 14 residues pruned to eliminate duplicates F: 25 55.903 2.204 1.152 0.924 1.000 0.833 CA 1.690 G: 13 25.488 2.454 0.461 0.878 0.917 0.917 CB 1.624 13 residues pruned to eliminate duplicates H: 14 19.421 2.174 0.449 0.825 0.846 0.692 CA 1.525 14 residues pruned to eliminate duplicates I: 26 53.536 2.211 1.040 0.917 1.000 0.800 CB 1.675 26 residues pruned to eliminate duplicates J: 22 36.672 2.482 0.646 0.742 0.952 0.762 CB 1.656 21 residues pruned to eliminate duplicates K: 34 27.466 2.163 0.924 0.453 0.818 0.515 CB 1.474 20 residues pruned to eliminate duplicates L: 41 38.988 2.320 0.987 0.595 0.775 0.650 CB 1.575 44 residues pruned to eliminate duplicates M: 26 52.411 2.207 1.102 0.925 0.960 0.920 CB 1.651 25 residues pruned to eliminate duplicates N: 59 33.085 2.125 0.775 0.544 0.776 0.586 CB 1.422 O: 15 24.138 2.140 0.361 0.910 1.000 0.857 CA 1.571 15 residues pruned to eliminate duplicates P: 57 65.026 2.303 1.212 0.647 0.911 0.589 CB 1.633 48 residues pruned to eliminate duplicates Q: 17 20.483 2.019 1.216 0.461 0.875 0.562 CB 1.361 17 residues pruned to eliminate duplicates R: 22 57.414 2.290 1.282 0.943 1.000 0.857 CB 1.662 22 residues pruned to eliminate duplicates S: 26 54.241 2.166 1.153 0.926 1.000 0.720 CB 1.631 26 residues pruned to eliminate duplicates T: 24 21.852 2.080 0.990 0.469 0.696 0.522 CB 1.634 24 residues pruned to eliminate duplicates U: 11 31.571 2.477 0.715 0.907 1.000 0.900 CB 1.671 11 residues pruned to eliminate duplicates V: 12 8.231 1.959 0.974 0.226 0.818 0.545 CB 1.081 4 residues pruned to eliminate duplicates W: 16 16.347 1.962 1.045 0.458 0.867 0.600 CB 1.266 16 residues pruned to eliminate duplicates X: 27 55.849 2.283 1.171 0.890 0.962 0.731 CA 1.654 Y: 24 20.415 2.019 0.836 0.592 0.739 0.652 CB 1.422 Z: 55 68.574 2.283 1.189 0.698 0.907 0.741 CB 1.718 55 residues pruned to eliminate duplicates Z: 21 28.718 2.408 0.516 0.736 0.900 0.800 CB 1.581 21 residues pruned to eliminate duplicates Z: 59 32.628 2.100 0.773 0.484 0.828 0.500 CB 1.412 59 residues pruned to eliminate duplicates Z: 36 33.046 2.182 0.516 0.636 0.914 0.486 CB 1.626 8 residues pruned to eliminate duplicates Z: 22 39.546 2.465 0.884 0.748 0.905 0.714 CB 1.647 22 residues pruned to eliminate duplicates Z: 28 55.390 2.243 1.202 0.894 1.000 0.741 CA 1.548 27 residues pruned to eliminate duplicates Z: 26 28.810 2.110 0.677 0.673 0.920 0.680 CB 1.508 Z: 27 14.893 1.830 0.899 0.364 0.731 0.346 CB 1.331 27 residues pruned to eliminate duplicates Z: 25 55.946 2.405 1.054 0.903 0.958 0.750 CB 1.720 25 residues pruned to eliminate duplicates Z: 22 19.363 2.135 0.466 0.628 0.810 0.571 CB 1.478 22 residues pruned to eliminate duplicates Z: 25 52.639 2.223 1.095 0.930 1.000 0.792 CA 1.614 25 residues pruned to eliminate duplicates Z: 15 22.454 2.164 0.734 0.812 0.857 0.643 CB 1.421 15 residues pruned to eliminate duplicates Z: 80 71.454 2.244 1.193 0.615 0.899 0.570 CB 1.631 67 residues pruned to eliminate duplicates Z: 28 51.666 2.238 1.079 0.901 0.963 0.593 CB 1.583 27 residues pruned to eliminate duplicates Z: 36 31.279 2.170 0.587 0.608 0.829 0.514 CB 1.673 37 residues pruned to eliminate duplicates Z: 12 26.960 2.068 0.628 0.890 1.000 0.909 CA 1.736 12 residues pruned to eliminate duplicates Z: 62 51.989 2.170 1.059 0.602 0.869 0.574 CB 1.556 62 residues pruned to eliminate duplicates Z: 13 17.221 2.034 0.773 0.586 0.750 0.667 CA 1.692 13 residues pruned to eliminate duplicates Z: 23 19.584 2.107 0.985 0.514 0.727 0.545 CB 1.354 23 residues pruned to eliminate duplicates Z: 18 11.089 2.012 0.430 0.361 0.765 0.294 CB 1.420 18 residues pruned to eliminate duplicates Z: 33 31.151 2.228 0.521 0.569 0.875 0.531 CB 1.736 33 residues pruned to eliminate duplicates Z: 27 55.155 2.149 1.198 0.918 1.000 0.923 CA 1.616 27 residues pruned to eliminate duplicates Z: 27 55.279 2.299 1.089 0.869 1.000 0.731 CA 1.649 27 residues pruned to eliminate duplicates Z: 67 35.285 1.970 0.724 0.597 0.894 0.576 CB 1.304 12 residues pruned to eliminate duplicates Z: 14 22.363 2.026 0.602 0.900 0.923 0.769 CA 1.479 13 residues pruned to eliminate duplicates Z: 70 55.135 2.239 1.001 0.600 0.899 0.594 CB 1.499 45 residues pruned to eliminate duplicates Z: 23 17.349 2.104 0.711 0.428 0.773 0.500 CB 1.433 23 residues pruned to eliminate duplicates Z: 11 22.940 2.104 1.185 0.663 0.900 0.600 CA 1.508 11 residues pruned to eliminate duplicates Z: 24 46.463 2.187 1.007 0.948 0.957 0.826 CB 1.594 Z: 27 54.194 2.299 1.211 0.895 0.923 0.692 CA 1.624 27 residues pruned to eliminate duplicates Z: 26 40.081 2.145 0.819 0.931 0.960 0.840 CB 1.496 24 residues pruned to eliminate duplicates Z: 21 40.717 2.496 0.814 0.714 0.900 0.650 CB 1.841 21 residues pruned to eliminate duplicates Z: 15 24.728 2.278 0.561 0.851 0.857 0.714 CB 1.605 15 residues pruned to eliminate duplicates Z: 25 59.793 2.357 1.174 0.874 1.000 0.708 CA 1.733 25 residues pruned to eliminate duplicates Z: 26 54.309 2.291 1.156 0.888 0.960 0.720 CA 1.650 26 residues pruned to eliminate duplicates Z: 8 27.332 2.359 1.364 0.698 0.857 0.857 CB 1.804 8 residues pruned to eliminate duplicates Z: 52 55.258 2.270 1.040 0.659 0.922 0.686 CB 1.565 52 residues pruned to eliminate duplicates Z: 55 55.755 2.196 1.132 0.627 0.889 0.611 CB 1.618 55 residues pruned to eliminate duplicates Z: 40 32.415 2.105 0.842 0.568 0.821 0.615 CB 1.528 47 residues pruned to eliminate duplicates Z: 27 51.245 2.154 1.199 0.917 0.962 0.692 CA 1.558 27 residues pruned to eliminate duplicates Z: 27 43.402 2.161 0.903 0.908 0.962 0.885 CA 1.529 27 residues pruned to eliminate duplicates Z: 26 57.460 2.297 1.144 0.888 1.000 0.640 CA 1.682 26 residues pruned to eliminate duplicates Z: 25 42.794 2.148 0.889 0.948 0.958 0.917 CA 1.552 25 residues pruned to eliminate duplicates Z: 27 56.238 2.312 1.199 0.865 0.962 0.769 CA 1.653 27 residues pruned to eliminate duplicates Z: 17 18.362 2.086 0.838 0.461 0.875 0.438 CB 1.425 17 residues pruned to eliminate duplicates Z: 9 8.527 1.947 0.459 0.435 0.875 0.500 CB 1.298 9 residues pruned to eliminate duplicates Z: 62 63.391 2.205 1.244 0.651 0.852 0.607 CB 1.672 62 residues pruned to eliminate duplicates Z: 27 50.013 2.265 0.975 0.855 1.000 0.654 CB 1.618 27 residues pruned to eliminate duplicates Z: 26 34.287 2.125 0.838 0.656 0.960 0.680 CB 1.582 26 residues pruned to eliminate duplicates Z: 19 18.929 2.119 0.785 0.462 0.833 0.722 CB 1.471 3 residues pruned to eliminate duplicates Z: 20 21.648 2.172 0.825 0.594 0.789 0.474 CB 1.450 20 residues pruned to eliminate duplicates Z: 49 53.437 2.197 1.091 0.717 0.938 0.562 CB 1.472 42 residues pruned to eliminate duplicates Z: 14 24.393 2.217 0.365 0.905 1.000 0.769 CB 1.591 14 residues pruned to eliminate duplicates Z: 26 54.375 2.317 1.097 0.887 0.960 0.360 CB 1.680 26 residues pruned to eliminate duplicates Z: 33 31.715 2.266 0.553 0.584 0.844 0.562 CB 1.742 33 residues pruned to eliminate duplicates Z: 14 18.316 2.145 0.868 0.537 0.923 0.385 CB 1.324 14 residues pruned to eliminate duplicates Z: 12 14.863 2.040 0.851 0.422 0.909 0.636 CA 1.416 12 residues pruned to eliminate duplicates Z: 45 39.509 2.070 0.895 0.708 0.955 0.636 CB 1.317 49 residues pruned to eliminate duplicates Z: 98 56.123 2.133 0.798 0.638 0.887 0.567 CB 1.472 76 residues pruned to eliminate duplicates Z: 26 49.100 2.150 1.140 0.940 0.960 0.760 CB 1.544 26 residues pruned to eliminate duplicates Z: 27 50.671 2.123 1.159 0.888 0.962 0.808 CB 1.625 27 residues pruned to eliminate duplicates Z: 21 20.445 2.104 0.816 0.414 0.850 0.700 CB 1.540 21 residues pruned to eliminate duplicates Z: 25 44.270 2.145 1.020 0.951 0.958 0.708 CB 1.499 25 residues pruned to eliminate duplicates Z: 27 51.443 2.246 1.064 0.890 1.000 0.654 CA 1.566 27 residues pruned to eliminate duplicates Z: 21 27.637 2.127 0.667 0.736 0.900 0.600 CA 1.568 21 residues pruned to eliminate duplicates Z: 34 35.011 2.250 0.680 0.600 0.848 0.606 CB 1.728 34 residues pruned to eliminate duplicates Z: 7 3.132 1.840 0.286 0.245 0.667 0.500 N 1.088 7 residues pruned to eliminate duplicates Z: 15 15.552 2.003 0.902 0.445 0.786 0.500 CB 1.469 15 residues pruned to eliminate duplicates Z: 25 54.697 2.250 1.054 0.952 1.000 0.875 CB 1.664 25 residues pruned to eliminate duplicates Z: 13 20.564 2.057 0.524 0.871 0.917 0.917 CA 1.507 13 residues pruned to eliminate duplicates Z: 26 49.294 2.158 0.942 0.955 1.000 0.760 CB 1.617 26 residues pruned to eliminate duplicates Z: 36 22.548 2.043 0.505 0.553 0.829 0.514 CB 1.421 34 residues pruned to eliminate duplicates Z: 28 21.181 2.011 1.008 0.424 0.852 0.630 CB 1.282 28 residues pruned to eliminate duplicates Z: 26 40.609 2.106 0.950 0.928 1.000 0.760 CB 1.384 26 residues pruned to eliminate duplicates Z: 24 32.413 2.028 0.752 0.900 1.000 0.783 CB 1.358 24 residues pruned to eliminate duplicates Z: 25 42.691 2.131 0.941 0.958 1.000 0.958 CB 1.445 25 residues pruned to eliminate duplicates Z: 22 24.318 2.121 1.139 0.411 0.857 0.571 CB 1.497 22 residues pruned to eliminate duplicates Z: 28 52.356 2.253 1.075 0.887 1.000 0.741 CA 1.554 28 residues pruned to eliminate duplicates Z: 26 60.237 2.228 1.261 0.928 1.000 0.640 CB 1.676 26 residues pruned to eliminate duplicates Z: 13 7.735 1.953 0.481 0.259 0.667 0.417 CB 1.527 13 residues pruned to eliminate duplicates Z: 26 28.964 2.111 0.677 0.672 0.960 0.720 CB 1.454 25 residues pruned to eliminate duplicates Z: 29 43.937 2.021 1.139 0.897 0.929 0.821 CA 1.481 29 residues pruned to eliminate duplicates Z: 25 58.618 2.407 1.092 0.929 1.000 0.833 CB 1.662 25 residues pruned to eliminate duplicates Z: 28 42.975 2.220 0.982 0.873 0.889 0.778 CA 1.540 28 residues pruned to eliminate duplicates Z: 22 15.547 1.983 0.768 0.401 0.810 0.476 CB 1.327 22 residues pruned to eliminate duplicates Z: 15 16.611 1.899 0.352 0.876 0.929 0.786 CA 1.353 15 residues pruned to eliminate duplicates Z: 18 28.513 2.209 0.919 0.459 1.000 0.412 CB 1.702 18 residues pruned to eliminate duplicates Z: 76 56.926 2.186 1.156 0.567 0.840 0.560 CB 1.556 76 residues pruned to eliminate duplicates Z: 27 47.120 2.132 1.048 0.922 0.962 0.538 CA 1.548 27 residues pruned to eliminate duplicates Z: 26 49.554 2.252 1.018 0.894 1.000 0.640 CA 1.565 26 residues pruned to eliminate duplicates Z: 30 30.146 2.166 1.033 0.427 0.828 0.621 CB 1.657 30 residues pruned to eliminate duplicates Z: 14 18.040 1.938 0.457 0.824 1.000 0.692 CA 1.338 14 residues pruned to eliminate duplicates Z: 76 58.651 2.222 1.001 0.569 0.880 0.507 CB 1.620 76 residues pruned to eliminate duplicates Z: 13 16.907 1.884 0.582 0.770 1.000 0.583 CB 1.289 14 residues pruned to eliminate duplicates Z: 17 12.849 2.133 0.526 0.403 0.812 0.625 CB 1.345 17 residues pruned to eliminate duplicates Z: 26 43.720 2.156 0.950 0.928 0.960 0.600 CB 1.517 26 residues pruned to eliminate duplicates Z: 11 16.954 1.923 0.538 0.878 0.900 0.800 CA 1.462 11 residues pruned to eliminate duplicates Z: 51 51.767 2.296 1.015 0.655 0.920 0.600 CB 1.488 51 residues pruned to eliminate duplicates Z: 27 49.707 2.195 1.056 0.905 0.962 0.846 CB 1.600 27 residues pruned to eliminate duplicates Z: 43 23.363 2.043 0.465 0.498 0.810 0.500 CB 1.491 43 residues pruned to eliminate duplicates Z: 25 39.997 2.180 0.963 0.937 0.875 0.750 CB 1.517 25 residues pruned to eliminate duplicates Z: 16 17.811 2.098 0.903 0.473 0.867 0.467 CB 1.366 16 residues pruned to eliminate duplicates Z: 24 17.149 2.045 0.685 0.510 0.783 0.478 CB 1.313 24 residues pruned to eliminate duplicates Z: 29 24.172 1.997 0.689 0.582 0.893 0.500 CB 1.402 29 residues pruned to eliminate duplicates Z: 13 8.115 2.092 0.490 0.245 0.833 0.500 CB 1.210 13 residues pruned to eliminate duplicates Z: 27 41.979 2.121 0.904 0.921 0.962 0.731 CA 1.492 27 residues pruned to eliminate duplicates Z: 14 33.439 2.412 0.854 0.902 0.923 0.538 CB 1.602 14 residues pruned to eliminate duplicates Z: 7 7.693 1.775 0.740 0.430 0.833 0.667 N 1.312 Z: 49 40.737 2.059 0.976 0.672 0.896 0.542 CB 1.376 49 residues pruned to eliminate duplicates Z: 25 46.576 2.183 0.926 0.953 1.000 0.875 CB 1.556 25 residues pruned to eliminate duplicates Z: 20 20.852 1.977 0.747 0.525 0.842 0.684 CB 1.605 20 residues pruned to eliminate duplicates Z: 12 15.830 1.961 0.245 0.903 0.909 0.818 CA 1.533 12 residues pruned to eliminate duplicates Z: 18 7.159 1.835 0.646 0.415 0.824 0.647 CB 0.763 Z: 54 36.888 2.082 0.889 0.624 0.887 0.585 CB 1.292 54 residues pruned to eliminate duplicates Z: 52 57.129 2.299 1.142 0.657 0.941 0.529 CB 1.492 52 residues pruned to eliminate duplicates Z: 9 14.222 2.020 0.797 0.587 0.750 0.750 CA 1.700 9 residues pruned to eliminate duplicates Z: 24 17.864 1.912 0.619 0.559 0.739 0.435 CB 1.538 24 residues pruned to eliminate duplicates Z: 27 36.343 2.047 0.749 0.947 1.000 0.692 CB 1.376 27 residues pruned to eliminate duplicates Z: 16 23.788 1.940 0.791 0.819 1.000 0.800 CA 1.340 16 residues pruned to eliminate duplicates Z: 8 7.315 1.873 0.573 0.351 0.857 0.571 CB 1.287 7 residues pruned to eliminate duplicates Z: 15 32.260 2.323 0.789 0.876 0.929 0.643 CB 1.623 14 residues pruned to eliminate duplicates Z: 12 19.740 1.863 0.641 0.909 1.000 0.818 CB 1.382 12 residues pruned to eliminate duplicates Z: 71 50.681 2.201 0.922 0.598 0.886 0.614 CB 1.472 71 residues pruned to eliminate duplicates Z: 11 11.962 2.076 0.325 0.798 0.800 0.300 CB 1.325 11 residues pruned to eliminate duplicates Z: 12 15.274 1.989 0.695 0.514 0.909 0.455 CB 1.482 12 residues pruned to eliminate duplicates Z: 52 50.566 2.281 0.962 0.665 0.902 0.549 CB 1.507 52 residues pruned to eliminate duplicates Z: 8 14.733 1.753 1.019 0.668 1.000 0.714 CB 1.347 Z: 24 38.900 2.125 0.903 0.932 1.000 0.826 CB 1.401 24 residues pruned to eliminate duplicates Z: 16 21.479 1.876 0.660 0.854 1.000 0.600 CA 1.316 16 residues pruned to eliminate duplicates Z: 25 39.462 2.143 0.904 0.934 0.958 0.750 CB 1.437 25 residues pruned to eliminate duplicates Z: 84 62.012 2.219 0.953 0.552 0.855 0.578 CA 1.745 84 residues pruned to eliminate duplicates Z: 26 54.634 2.204 1.179 0.924 0.960 0.680 CA 1.665 26 residues pruned to eliminate duplicates Z: 17 17.873 2.011 0.732 0.486 0.938 0.500 CB 1.387 17 residues pruned to eliminate duplicates Z: 10 16.026 2.072 0.372 0.923 0.889 0.889 CB 1.485 10 residues pruned to eliminate duplicates Z: 9 14.039 2.060 0.971 0.663 0.750 0.750 CB 1.402 9 residues pruned to eliminate duplicates Z: 41 31.240 2.144 0.577 0.562 0.875 0.550 CB 1.573 41 residues pruned to eliminate duplicates Z: 17 18.822 2.030 1.095 0.470 0.875 0.375 CB 1.303 17 residues pruned to eliminate duplicates Z: 25 43.920 2.145 0.925 0.944 0.958 0.708 CA 1.569 25 residues pruned to eliminate duplicates Z: 39 25.277 2.141 0.888 0.486 0.763 0.579 CB 1.348 39 residues pruned to eliminate duplicates Z: 25 44.104 2.155 1.121 0.951 0.917 0.667 CB 1.481 25 residues pruned to eliminate duplicates Z: 15 12.750 1.848 0.560 0.580 0.857 0.643 CB 1.277 Z: 24 51.212 2.350 1.214 0.907 0.957 0.391 CB 1.525 24 residues pruned to eliminate duplicates Z: 80 65.526 2.192 1.135 0.608 0.899 0.608 CB 1.581 85 residues pruned to eliminate duplicates Z: 53 50.429 2.169 1.094 0.644 0.904 0.635 CB 1.489 53 residues pruned to eliminate duplicates Z: 7 9.023 1.929 0.577 0.629 0.833 0.667 CB 1.286 7 residues pruned to eliminate duplicates Z: 24 61.387 2.400 1.203 0.910 1.000 0.870 CB 1.718 24 residues pruned to eliminate duplicates Z: 26 44.610 2.152 0.900 0.914 1.000 0.680 CB 1.543 26 residues pruned to eliminate duplicates Z: 39 23.973 2.130 0.739 0.520 0.737 0.553 CB 1.397 39 residues pruned to eliminate duplicates Z: 17 17.160 2.148 0.803 0.488 0.750 0.562 CB 1.495 17 residues pruned to eliminate duplicates Z: 21 22.332 2.217 0.671 0.482 0.850 0.600 CB 1.614 21 residues pruned to eliminate duplicates Z: 55 41.006 2.077 0.782 0.665 0.926 0.667 CB 1.398 43 residues pruned to eliminate duplicates Z: 26 42.027 2.085 1.121 0.918 1.000 0.760 CB 1.341 26 residues pruned to eliminate duplicates Z: 7 5.122 2.066 0.133 0.779 1.000 1.000 CB 0.698 Z: 13 12.573 1.869 0.464 0.550 0.833 0.500 CB 1.516 13 residues pruned to eliminate duplicates Z: 7 4.284 1.773 -0.006 0.604 0.833 0.833 CB 1.079 Z: 26 54.468 2.218 1.228 0.913 0.960 0.720 CA 1.625 26 residues pruned to eliminate duplicates Z: 13 21.496 1.870 0.673 0.842 1.000 0.750 CB 1.478 12 residues pruned to eliminate duplicates Z: 26 39.097 2.100 0.895 0.924 1.000 0.880 CB 1.379 26 residues pruned to eliminate duplicates Z: 21 25.279 2.125 0.668 0.746 0.850 0.750 CB 1.505 21 residues pruned to eliminate duplicates Z: 51 49.911 2.118 0.927 0.651 0.920 0.620 CB 1.633 51 residues pruned to eliminate duplicates Z: 17 22.199 2.083 0.610 0.676 0.875 0.688 CA 1.608 17 residues pruned to eliminate duplicates Z: 10 17.282 2.077 0.388 0.880 0.889 0.667 CA 1.629 12 residues pruned to eliminate duplicates Z: 14 10.816 1.776 0.610 0.508 0.846 0.615 CB 1.230 14 residues pruned to eliminate duplicates Z: 33 32.113 2.196 0.995 0.405 0.875 0.562 CB 1.637 33 residues pruned to eliminate duplicates Z: 26 44.582 2.115 1.079 0.915 1.000 0.760 CB 1.433 26 residues pruned to eliminate duplicates Z: 13 19.252 1.893 0.633 0.908 0.917 0.667 CB 1.393 13 residues pruned to eliminate duplicates Z: 15 27.666 2.330 0.504 0.855 0.929 0.786 CB 1.677 15 residues pruned to eliminate duplicates Z: 14 33.027 2.406 0.672 0.917 1.000 0.692 CB 1.606 14 residues pruned to eliminate duplicates Z: 68 54.689 2.222 1.103 0.634 0.896 0.627 CB 1.408 68 residues pruned to eliminate duplicates Z: 28 35.604 2.033 0.716 0.919 0.963 0.852 CA 1.437 28 residues pruned to eliminate duplicates Z: 14 22.150 2.007 0.583 0.899 0.923 0.462 CA 1.496 14 residues pruned to eliminate duplicates Z: 26 47.931 2.081 1.095 0.947 1.000 0.760 CB 1.520 26 residues pruned to eliminate duplicates Z: 23 14.849 1.931 0.550 0.470 0.773 0.364 CB 1.411 23 residues pruned to eliminate duplicates Z: 25 36.644 2.103 0.917 0.907 0.958 0.750 CB 1.376 25 residues pruned to eliminate duplicates Z: 36 28.872 2.160 0.546 0.598 0.914 0.686 CB 1.456 36 residues pruned to eliminate duplicates Z: 52 38.947 2.016 1.029 0.563 0.902 0.490 CB 1.390 17 residues pruned to eliminate duplicates Z: 26 45.050 2.103 1.158 0.931 1.000 0.520 CB 1.388 26 residues pruned to eliminate duplicates Z: 24 48.424 2.208 0.940 0.949 1.000 0.913 CB 1.627 24 residues pruned to eliminate duplicates Z: 26 40.644 2.156 0.798 0.924 0.960 0.840 CB 1.534 26 residues pruned to eliminate duplicates Z: 27 44.900 2.087 1.158 0.931 1.000 0.846 CB 1.366 27 residues pruned to eliminate duplicates Z: 27 47.087 2.268 0.970 0.871 0.962 0.769 CA 1.568 27 residues pruned to eliminate duplicates Z: 13 22.202 1.939 0.543 0.903 1.000 0.833 CA 1.527 11 residues pruned to eliminate duplicates Z: 7 2.909 1.872 -0.372 0.520 1.000 0.500 CB 0.990 Z: 27 37.215 2.033 0.882 0.901 1.000 0.846 CB 1.361 27 residues pruned to eliminate duplicates Z: 9 17.326 2.113 1.212 0.658 0.750 0.750 CB 1.510 9 residues pruned to eliminate duplicates Z: 82 63.225 2.219 1.097 0.589 0.852 0.469 CB 1.627 52 residues pruned to eliminate duplicates Z: 37 52.205 2.322 0.935 0.780 0.972 0.639 CB 1.557 37 residues pruned to eliminate duplicates Z: 34 32.227 2.121 0.595 0.601 0.909 0.576 CB 1.657 34 residues pruned to eliminate duplicates Z: 19 15.762 2.013 0.749 0.436 0.778 0.611 CB 1.449 19 residues pruned to eliminate duplicates Z: 38 26.401 2.119 0.724 0.552 0.838 0.541 CB 1.348 38 residues pruned to eliminate duplicates Z: 14 17.509 1.859 0.657 0.825 1.000 0.462 CB 1.190 14 residues pruned to eliminate duplicates Z: 12 15.370 1.934 0.589 0.657 0.909 0.636 CB 1.433 12 residues pruned to eliminate duplicates Z: 26 21.877 2.061 0.558 0.625 0.840 0.600 CB 1.443 26 residues pruned to eliminate duplicates Z: 6 5.532 1.740 0.217 0.487 0.800 0.600 C 1.479 Z: 11 8.827 1.748 0.448 0.538 0.900 0.600 CB 1.181 11 residues pruned to eliminate duplicates Z: 9 9.635 1.824 0.557 0.500 0.750 0.500 N 1.599 9 residues pruned to eliminate duplicates Z: 8 19.113 2.095 1.341 0.688 0.857 0.714 CB 1.447 8 residues pruned to eliminate duplicates Z: 15 19.132 2.186 0.765 0.463 0.929 0.429 CB 1.482 15 residues pruned to eliminate duplicates Z: 10 4.562 1.778 0.101 0.371 0.778 0.556 N 1.147 Z: 12 14.404 1.910 0.471 0.820 1.000 0.727 CB 1.171 12 residues pruned to eliminate duplicates Z: 18 19.929 2.015 0.701 0.503 0.882 0.647 CB 1.592 18 residues pruned to eliminate duplicates Z: 9 16.424 1.984 0.439 0.874 1.000 0.875 CA 1.480 9 residues pruned to eliminate duplicates Z: 19 12.788 1.933 0.539 0.344 0.833 0.500 CB 1.441 19 residues pruned to eliminate duplicates Z: 33 22.336 2.007 0.761 0.420 0.906 0.625 CB 1.340 33 residues pruned to eliminate duplicates Z: 25 9.327 1.808 0.546 0.389 0.625 0.375 CB 1.225 12 residues pruned to eliminate duplicates Z: 20 7.565 1.744 0.711 0.356 0.684 0.368 CB 0.993 20 residues pruned to eliminate duplicates Z: 24 53.422 2.209 1.172 0.956 1.000 0.826 CB 1.595 24 residues pruned to eliminate duplicates Z: 26 27.024 2.068 0.455 0.690 0.960 0.600 CA 1.573 26 residues pruned to eliminate duplicates Z: 53 53.651 2.205 1.076 0.656 0.904 0.692 CB 1.556 55 residues pruned to eliminate duplicates Z: 62 52.066 2.187 1.056 0.688 0.885 0.705 CB 1.410 62 residues pruned to eliminate duplicates Z: 15 23.513 2.279 0.842 0.510 0.857 0.643 CB 1.730 15 residues pruned to eliminate duplicates Z: 21 44.626 2.222 1.089 0.944 1.000 0.750 CB 1.489 21 residues pruned to eliminate duplicates Z: 26 47.604 2.131 0.945 0.928 1.000 0.320 CB 1.609 26 residues pruned to eliminate duplicates Z: 52 51.923 2.277 0.922 0.673 0.941 0.627 CB 1.505 52 residues pruned to eliminate duplicates Z: 8 2.692 1.673 0.172 0.216 0.571 0.571 CB 1.269 Z: 26 40.303 2.089 0.964 0.905 1.000 0.760 CB 1.398 26 residues pruned to eliminate duplicates Z: 19 21.741 2.022 0.629 0.580 0.889 0.722 CB 1.620 19 residues pruned to eliminate duplicates Z: 10 8.464 1.851 0.875 0.345 0.667 0.333 CB 1.441 10 residues pruned to eliminate duplicates Z: 22 19.866 2.146 0.712 0.405 0.810 0.333 CB 1.611 22 residues pruned to eliminate duplicates Z: 34 27.224 2.131 1.019 0.489 0.848 0.576 CB 1.313 34 residues pruned to eliminate duplicates Z: 18 22.716 2.122 0.944 0.509 0.824 0.647 CB 1.607 18 residues pruned to eliminate duplicates Z: 14 16.663 1.843 0.453 0.888 1.000 1.000 CA 1.243 14 residues pruned to eliminate duplicates Z: 7 7.822 1.711 0.969 0.711 0.833 0.833 N 0.939 Z: 16 22.107 1.955 0.620 0.807 1.000 0.800 CA 1.379 16 residues pruned to eliminate duplicates Z: 26 50.763 2.163 1.217 0.888 0.960 0.600 CA 1.589 26 residues pruned to eliminate duplicates Z: 15 10.557 1.918 0.253 0.566 0.857 0.571 CB 1.285 15 residues pruned to eliminate duplicates Z: 26 55.810 2.194 1.273 0.928 0.960 0.640 CB 1.633 26 residues pruned to eliminate duplicates Z: 26 38.549 2.077 0.883 0.929 1.000 0.800 CB 1.379 26 residues pruned to eliminate duplicates Z: 27 42.190 2.065 0.835 0.931 1.000 0.846 CA 1.526 27 residues pruned to eliminate duplicates Z: 27 44.025 2.084 1.109 0.920 1.000 0.692 CB 1.383 27 residues pruned to eliminate duplicates Z: 13 19.053 1.852 0.706 0.839 0.917 0.750 CB 1.418 13 residues pruned to eliminate duplicates Z: 13 19.128 1.877 0.555 0.904 1.000 1.000 CB 1.348 13 residues pruned to eliminate duplicates Z: 37 34.925 2.287 0.597 0.598 0.889 0.667 CB 1.632 37 residues pruned to eliminate duplicates Z: 34 33.345 2.159 1.069 0.469 0.879 0.667 CB 1.526 34 residues pruned to eliminate duplicates Z: 16 17.082 1.992 0.872 0.474 0.933 0.600 CB 1.300 16 residues pruned to eliminate duplicates Z: 55 41.888 2.099 0.881 0.628 0.926 0.611 CB 1.382 55 residues pruned to eliminate duplicates Z: 35 40.892 2.110 1.252 0.648 0.912 0.588 CB 1.410 35 residues pruned to eliminate duplicates Z: 9 6.036 1.634 0.576 0.648 0.875 0.750 CA 0.825 8 residues pruned to eliminate duplicates Z: 58 53.519 2.216 1.054 0.664 0.895 0.614 CB 1.495 58 residues pruned to eliminate duplicates Z: 26 35.478 2.083 0.708 0.900 0.960 0.680 CB 1.483 26 residues pruned to eliminate duplicates Z: 24 22.239 2.094 0.788 0.448 0.826 0.565 CB 1.581 24 residues pruned to eliminate duplicates Z: 25 48.480 2.143 1.125 0.900 0.958 0.708 CB 1.619 25 residues pruned to eliminate duplicates Z: 38 43.386 2.200 0.989 0.716 0.946 0.703 CB 1.417 38 residues pruned to eliminate duplicates Z: 9 8.841 1.916 0.431 0.506 0.875 0.750 CB 1.295 9 residues pruned to eliminate duplicates Z: 21 25.125 2.131 1.052 0.559 0.900 0.600 CB 1.348 21 residues pruned to eliminate duplicates Z: 72 54.759 2.184 0.987 0.666 0.873 0.662 CB 1.471 72 residues pruned to eliminate duplicates Z: 9 10.744 2.024 0.482 0.617 0.875 0.750 CB 1.296 9 residues pruned to eliminate duplicates Z: 57 55.706 2.246 1.067 0.664 0.911 0.643 CB 1.513 57 residues pruned to eliminate duplicates Z: 57 47.150 2.165 0.811 0.609 0.911 0.589 CB 1.590 54 residues pruned to eliminate duplicates Z: 15 30.965 2.321 0.641 0.908 1.000 0.571 CB 1.544 15 residues pruned to eliminate duplicates Z: 14 20.951 2.158 0.922 0.563 0.846 0.692 CB 1.559 14 residues pruned to eliminate duplicates Z: 91 64.257 2.195 1.056 0.527 0.889 0.544 CB 1.643 91 residues pruned to eliminate duplicates 6 1.893 1.563 -0.293 0.474 1.000 0.600 CB 0.786 ? Z: 16 21.393 1.907 0.706 0.868 0.933 0.467 CA 1.330 16 residues pruned to eliminate duplicates Z: 16 31.911 2.244 0.704 0.849 1.000 0.600 CB 1.596 16 residues pruned to eliminate duplicates Z: 17 13.482 2.037 0.712 0.489 0.750 0.562 CB 1.303 17 residues pruned to eliminate duplicates 6 1.784 1.556 0.177 0.300 0.600 0.400 O 0.908 ? Z: 25 46.202 2.162 1.106 0.922 0.958 0.583 CB 1.520 25 residues pruned to eliminate duplicates Z: 26 56.468 2.352 1.062 0.883 1.000 0.600 CA 1.683 26 residues pruned to eliminate duplicates Z: 34 30.399 2.167 0.660 0.565 0.848 0.636 CB 1.629 34 residues pruned to eliminate duplicates Z: 14 6.181 1.853 -0.003 0.460 0.769 0.538 CB 1.256 Z: 8 7.334 1.923 1.007 0.442 0.571 0.571 CB 1.334 8 residues pruned to eliminate duplicates Z: 6 5.308 2.170 -0.504 0.819 1.000 0.800 CB 1.671 6 residues pruned to eliminate duplicates Z: 34 47.978 2.192 1.038 0.833 0.970 0.758 CB 1.446 34 residues pruned to eliminate duplicates Z: 11 27.579 2.154 1.319 0.579 1.000 0.700 CB 1.618 Z: 15 13.063 2.010 0.799 0.306 0.929 0.643 CA 1.290 15 residues pruned to eliminate duplicates Z: 16 19.203 1.938 0.554 0.778 1.000 0.600 CA 1.288 16 residues pruned to eliminate duplicates Z: 8 3.287 1.668 -0.055 0.439 1.000 0.429 CB 0.839 Z: 33 28.583 2.084 0.785 0.581 0.875 0.719 CA 1.436 33 residues pruned to eliminate duplicates Z: 26 31.205 2.098 0.379 0.929 1.000 0.800 CA 1.509 26 residues pruned to eliminate duplicates Z: 27 45.206 2.289 0.972 0.904 0.962 0.846 CA 1.455 27 residues pruned to eliminate duplicates Z: 13 10.897 1.841 0.312 0.548 1.000 0.583 CB 1.242 13 residues pruned to eliminate duplicates Z: 43 32.719 2.083 0.834 0.609 0.857 0.595 CB 1.390 43 residues pruned to eliminate duplicates Z: 8 8.581 1.875 0.852 0.468 0.857 0.429 CB 1.125 8 residues pruned to eliminate duplicates Z: 67 67.828 2.231 1.255 0.617 0.909 0.515 CB 1.635 67 residues pruned to eliminate duplicates Z: 14 13.366 2.045 0.452 0.490 0.923 0.692 CB 1.367 14 residues pruned to eliminate duplicates Z: 7 5.331 1.952 -0.288 0.804 1.000 1.000 CB 1.201 Z: 6 2.792 1.642 -0.275 0.717 0.800 0.600 CB 1.077 Z: 11 9.567 1.895 0.576 0.497 0.900 0.600 CB 1.129 11 residues pruned to eliminate duplicates Z: 32 17.757 1.999 0.602 0.423 0.839 0.516 CB 1.287 32 residues pruned to eliminate duplicates Z: 9 9.955 1.953 0.564 0.412 0.875 0.875 CA 1.444 9 residues pruned to eliminate duplicates Z: 16 6.008 1.858 0.209 0.298 0.733 0.333 CB 1.181 16 residues pruned to eliminate duplicates Z: 27 49.699 2.257 1.042 0.880 0.923 0.308 CB 1.660 27 residues pruned to eliminate duplicates Z: 25 49.196 2.145 1.103 0.948 1.000 0.875 CB 1.537 25 residues pruned to eliminate duplicates Z: 10 9.485 2.040 0.237 0.577 0.778 0.556 CB 1.495 10 residues pruned to eliminate duplicates Z: 58 60.849 2.183 1.185 0.628 0.912 0.614 CB 1.643 58 residues pruned to eliminate duplicates Z: 26 58.823 2.298 1.256 0.918 0.960 0.560 CB 1.667 26 residues pruned to eliminate duplicates Z: 35 23.044 2.068 0.397 0.516 0.853 0.559 CB 1.579 35 residues pruned to eliminate duplicates Z: 28 51.239 2.222 1.082 0.889 0.963 0.481 CA 1.593 28 residues pruned to eliminate duplicates Z: 24 15.773 1.985 0.624 0.373 0.870 0.522 CB 1.343 24 residues pruned to eliminate duplicates Z: 13 21.725 2.022 0.618 0.891 1.000 0.833 CA 1.378 13 residues pruned to eliminate duplicates Z: 57 49.156 2.199 0.998 0.674 0.893 0.643 CB 1.427 57 residues pruned to eliminate duplicates Z: 11 12.706 1.863 0.541 0.647 0.900 0.700 CB 1.356 11 residues pruned to eliminate duplicates Z: 6 4.194 1.662 0.594 0.474 0.600 0.600 CB 1.211 6 residues pruned to eliminate duplicates Z: 8 5.881 1.874 0.463 0.299 0.857 0.429 CB 1.183 Z: 22 18.527 2.060 0.646 0.502 0.810 0.571 CB 1.469 22 residues pruned to eliminate duplicates Z: 9 6.611 1.536 0.315 0.575 0.875 0.750 O 1.231 Z: 15 9.220 1.883 0.337 0.448 0.786 0.571 CB 1.314 15 residues pruned to eliminate duplicates Z: 23 17.270 2.031 0.492 0.485 0.864 0.591 CB 1.429 23 residues pruned to eliminate duplicates Z: 28 18.043 1.957 0.518 0.621 0.852 0.704 CB 1.224 28 residues pruned to eliminate duplicates Z: 15 25.081 2.037 0.635 0.831 1.000 0.643 CA 1.512 15 residues pruned to eliminate duplicates Z: 8 19.198 2.100 0.925 0.848 1.000 1.000 N 1.331 Z: 11 7.346 1.879 0.647 0.368 0.700 0.400 CB 1.236 11 residues pruned to eliminate duplicates Z: 22 20.440 2.120 0.473 0.585 0.857 0.571 CB 1.536 22 residues pruned to eliminate duplicates Z: 17 6.747 1.703 0.463 0.278 0.688 0.375 N 1.266 13 residues pruned to eliminate duplicates Z: 50 64.649 2.264 1.351 0.692 0.878 0.510 CB 1.658 50 residues pruned to eliminate duplicates Z: 9 7.638 1.775 0.620 0.607 0.875 0.625 CB 0.970 Z: 8 5.901 1.878 -0.071 0.683 1.000 0.857 CB 1.081 7 residues pruned to eliminate duplicates Z: 15 15.763 1.921 0.798 0.413 0.857 0.643 CA 1.558 15 residues pruned to eliminate duplicates Z: 26 41.596 2.097 1.043 0.924 1.000 0.720 CB 1.364 26 residues pruned to eliminate duplicates Z: 7 5.742 1.624 0.416 0.522 0.833 0.667 C 1.196 7 residues pruned to eliminate duplicates Z: 39 50.988 2.174 1.085 0.794 0.974 0.605 CB 1.448 68 residues pruned to eliminate duplicates Z: 11 16.111 2.148 0.812 0.514 0.900 0.400 CB 1.434 11 residues pruned to eliminate duplicates Z: 28 37.934 2.014 0.818 0.931 1.000 0.926 CA 1.393 28 residues pruned to eliminate duplicates Z: 24 15.698 1.995 0.588 0.444 0.826 0.522 CB 1.326 24 residues pruned to eliminate duplicates Z: 10 4.340 1.668 0.132 0.537 0.778 0.667 N 0.950 Z: 25 44.350 2.080 1.213 0.929 1.000 0.917 CB 1.377 25 residues pruned to eliminate duplicates Z: 25 45.995 2.098 1.061 0.943 1.000 0.333 CB 1.505 25 residues pruned to eliminate duplicates Z: 13 13.808 2.178 0.418 0.518 0.917 0.333 CB 1.384 13 residues pruned to eliminate duplicates Z: 7 3.813 1.721 0.523 0.469 0.667 0.667 CB 0.919 7 residues pruned to eliminate duplicates Z: 33 30.656 2.191 0.572 0.602 0.875 0.500 CB 1.632 33 residues pruned to eliminate duplicates Z: 12 16.953 1.896 0.717 0.564 1.000 0.636 CB 1.475 12 residues pruned to eliminate duplicates Z: 14 16.679 1.860 0.545 0.851 0.846 0.692 CB 1.408 14 residues pruned to eliminate duplicates Z: 22 25.653 2.122 1.188 0.600 0.762 0.714 CB 1.438 22 residues pruned to eliminate duplicates Z: 36 56.136 2.372 1.085 0.755 0.943 0.600 CB 1.620 36 residues pruned to eliminate duplicates Z: 26 15.925 1.987 0.488 0.354 0.920 0.400 CB 1.371 21 residues pruned to eliminate duplicates Z: 6 4.256 1.963 -0.245 0.612 0.800 0.800 CB 1.444 Z: 6 3.610 1.749 -0.280 0.750 1.000 0.800 CB 1.026 Z: 15 16.519 1.710 0.519 0.887 0.929 0.571 CB 1.319 15 residues pruned to eliminate duplicates Z: 32 19.845 2.127 0.510 0.450 0.774 0.387 CB 1.509 32 residues pruned to eliminate duplicates Z: 27 17.236 1.874 0.524 0.516 0.846 0.500 CB 1.377 27 residues pruned to eliminate duplicates Z: 14 11.196 1.678 0.703 0.610 0.846 0.769 N 1.157 5 residues pruned to eliminate duplicates Z: 6 5.189 1.814 -0.285 0.835 1.000 1.000 CB 1.341 Z: 14 23.708 1.990 0.735 0.899 0.923 0.538 CA 1.475 14 residues pruned to eliminate duplicates Z: 25 33.166 2.246 0.565 0.880 0.958 0.875 CA 1.457 25 residues pruned to eliminate duplicates Z: 11 9.830 1.867 0.411 0.511 0.900 0.600 CB 1.297 11 residues pruned to eliminate duplicates Z: 9 13.820 2.053 0.521 0.711 1.000 0.625 CB 1.292 9 residues pruned to eliminate duplicates Z: 11 6.373 1.631 0.830 0.359 0.700 0.300 CB 1.123 11 residues pruned to eliminate duplicates Z: 8 4.107 1.836 -0.077 0.516 0.857 0.571 CB 1.052 8 residues pruned to eliminate duplicates Z: 13 14.566 1.954 1.052 0.552 0.750 0.500 CB 1.330 13 residues pruned to eliminate duplicates Z: 26 40.602 2.084 0.984 0.903 1.000 0.800 CB 1.400 26 residues pruned to eliminate duplicates Z: 13 15.268 1.858 0.842 0.561 1.000 0.667 CB 1.213 13 residues pruned to eliminate duplicates Z: 14 27.584 2.208 0.851 0.646 0.923 0.846 CA 1.770 14 residues pruned to eliminate duplicates Z: 13 20.018 1.915 0.753 0.827 1.000 0.750 CA 1.296 13 residues pruned to eliminate duplicates Z: 26 49.458 2.172 1.059 0.930 1.000 0.880 CA 1.547 26 residues pruned to eliminate duplicates Z: 27 30.708 2.082 0.507 0.927 0.962 0.846 CA 1.399 27 residues pruned to eliminate duplicates Z: 6 3.322 1.845 0.511 0.335 0.800 0.600 CB 0.797 6 residues pruned to eliminate duplicates Z: 8 6.023 1.894 -0.189 0.643 1.000 0.857 CB 1.296 8 residues pruned to eliminate duplicates Z: 25 46.558 2.180 0.987 0.915 1.000 0.708 CB 1.550 25 residues pruned to eliminate duplicates Z: 10 6.278 1.940 0.546 0.272 0.889 0.556 CB 1.017 10 residues pruned to eliminate duplicates Z: 15 19.701 2.379 0.462 0.497 0.929 0.429 CA 1.636 15 residues pruned to eliminate duplicates Z: 25 39.888 2.112 0.913 0.947 1.000 0.833 CB 1.393 25 residues pruned to eliminate duplicates Z: 25 48.648 2.164 0.954 0.952 1.000 0.917 CB 1.618 25 residues pruned to eliminate duplicates Z: 57 48.713 2.163 0.842 0.685 0.911 0.714 CB 1.514 57 residues pruned to eliminate duplicates Z: 21 39.900 2.276 1.172 0.853 0.900 0.400 CB 1.482 21 residues pruned to eliminate duplicates Z: 22 17.075 1.981 0.683 0.465 0.857 0.619 CB 1.351 28 residues pruned to eliminate duplicates Z: 7 6.608 1.914 0.072 0.406 1.000 0.667 CB 1.452 Z: 6 10.661 1.919 0.678 0.488 1.000 0.600 CA 1.499 10 residues pruned to eliminate duplicates Z: 9 3.096 2.061 0.005 0.255 0.750 0.375 CB 0.933 9 residues pruned to eliminate duplicates Z: 24 22.187 2.146 0.924 0.482 0.826 0.522 CB 1.381 24 residues pruned to eliminate duplicates Z: 7 5.026 1.940 -0.233 0.560 0.833 0.667 N 1.561 7 residues pruned to eliminate duplicates Z: 23 20.784 2.084 0.572 0.664 0.818 0.591 CB 1.421 23 residues pruned to eliminate duplicates Z: 60 46.494 2.123 0.911 0.631 0.898 0.661 CB 1.468 60 residues pruned to eliminate duplicates Z: 6 3.752 1.516 0.405 0.497 0.800 0.400 N 0.988 6 residues pruned to eliminate duplicates Z: 33 49.916 2.254 1.192 0.678 0.906 0.688 CA 1.673 33 residues pruned to eliminate duplicates Z: 14 14.111 1.895 0.900 0.488 0.769 0.692 CB 1.430 14 residues pruned to eliminate duplicates Z: 8 2.082 1.348 0.058 0.410 0.714 0.143 CB 0.849 Z: 7 4.415 1.817 -0.429 0.768 1.000 0.833 CB 1.371 7 residues pruned to eliminate duplicates Z: 6 6.448 1.628 0.358 0.782 0.800 0.600 CA 1.272 6 residues pruned to eliminate duplicates Z: 25 58.393 2.182 1.329 0.919 1.000 0.542 CB 1.653 25 residues pruned to eliminate duplicates Z: 47 32.884 2.148 0.711 0.576 0.848 0.587 CB 1.446 47 residues pruned to eliminate duplicates Z: 6 6.012 1.399 0.870 0.536 1.000 0.400 C 0.992 Z: 26 46.028 2.090 1.251 0.947 1.000 0.680 CB 1.352 26 residues pruned to eliminate duplicates Z: 19 18.073 2.051 0.679 0.493 0.833 0.722 CB 1.495 19 residues pruned to eliminate duplicates Z: 6 7.083 1.547 0.866 0.554 0.800 0.800 N 1.301 6 residues pruned to eliminate duplicates Z: 13 33.925 2.443 0.830 0.914 1.000 0.833 CB 1.549 13 residues pruned to eliminate duplicates Z: 15 20.377 1.821 0.535 0.906 1.000 0.786 CB 1.386 15 residues pruned to eliminate duplicates Z: 26 49.296 2.164 1.052 0.923 1.000 0.800 CA 1.560 26 residues pruned to eliminate duplicates Z: 15 14.956 1.810 0.508 0.881 0.857 0.357 CB 1.238 15 residues pruned to eliminate duplicates Z: 8 7.682 1.845 0.562 0.711 0.714 0.571 CB 1.164 8 residues pruned to eliminate duplicates Z: 6 2.886 1.668 0.304 0.396 0.800 0.600 CB 0.827 6 residues pruned to eliminate duplicates Z: 6 4.000 1.388 0.181 0.709 0.800 0.600 C 1.128 Z: 34 37.247 2.319 0.608 0.614 0.939 0.606 CB 1.661 34 residues pruned to eliminate duplicates Z: 7 2.675 1.477 0.331 0.482 0.667 0.500 CB 0.849 7 residues pruned to eliminate duplicates Z: 26 54.131 2.185 1.121 0.920 1.000 0.880 CB 1.645 26 residues pruned to eliminate duplicates Z: 8 22.854 2.288 0.993 0.692 1.000 0.429 CB 1.589 8 residues pruned to eliminate duplicates Z: 12 14.233 1.987 0.963 0.620 0.818 0.636 CB 1.201 12 residues pruned to eliminate duplicates Z: 29 52.558 2.198 1.177 0.881 0.964 0.607 CA 1.558 29 residues pruned to eliminate duplicates Z: 68 56.636 2.232 0.983 0.624 0.910 0.672 CB 1.527 68 residues pruned to eliminate duplicates Z: 9 21.692 2.187 1.040 0.647 1.000 0.625 CB 1.499 9 residues pruned to eliminate duplicates Z: 25 43.298 2.116 0.940 0.940 1.000 0.958 CA 1.496 25 residues pruned to eliminate duplicates Z: 52 32.074 1.954 0.812 0.647 0.863 0.608 CB 1.282 52 residues pruned to eliminate duplicates Z: 7 4.149 1.745 -0.004 0.535 0.833 0.333 CB 1.130 Z: 31 42.741 2.165 1.111 0.825 0.900 0.567 CB 1.432 31 residues pruned to eliminate duplicates Z: 24 13.692 1.905 0.628 0.415 0.826 0.652 CB 1.218 24 residues pruned to eliminate duplicates Z: 8 14.240 1.573 0.890 0.880 1.000 0.571 CB 1.312 8 residues pruned to eliminate duplicates Z: 26 44.923 2.105 1.180 0.922 1.000 0.640 CB 1.377 26 residues pruned to eliminate duplicates Z: 10 7.231 1.666 0.529 0.347 0.889 0.556 N 1.257 10 residues pruned to eliminate duplicates Z: 15 22.097 1.925 0.760 0.869 0.929 0.500 CA 1.371 15 residues pruned to eliminate duplicates Z: 14 18.135 2.052 1.026 0.512 0.923 0.462 CB 1.295 14 residues pruned to eliminate duplicates Z: 23 50.785 2.228 1.259 0.874 0.955 0.591 CB 1.640 23 residues pruned to eliminate duplicates Z: 58 52.002 2.211 0.882 0.642 0.930 0.632 CB 1.558 58 residues pruned to eliminate duplicates Z: 9 5.910 1.649 0.293 0.418 0.750 0.375 CA 1.424 Z: 7 10.369 2.002 0.092 0.812 1.000 0.667 O 1.476 7 residues pruned to eliminate duplicates Z: 12 9.526 1.715 0.300 0.566 0.818 0.545 CB 1.476 Z: 8 11.595 1.853 0.397 0.713 1.000 0.714 CB 1.395 8 residues pruned to eliminate duplicates Z: 8 4.678 1.390 1.032 0.623 1.000 0.571 CB 0.557 Z: 10 4.797 1.632 0.357 0.453 0.667 0.556 CB 1.136 10 residues pruned to eliminate duplicates Z: 10 6.359 1.762 0.203 0.421 0.778 0.333 O 1.395 8 residues pruned to eliminate duplicates Z: 66 45.567 2.124 0.845 0.632 0.923 0.615 CB 1.381 66 residues pruned to eliminate duplicates Z: 8 2.157 1.421 -0.276 0.555 0.857 0.571 C 0.876 8 residues pruned to eliminate duplicates Z: 6 2.502 1.399 -0.036 0.674 0.800 0.800 N 0.883 6 residues pruned to eliminate duplicates Z: 10 6.030 1.644 0.118 0.543 0.889 0.556 CB 1.179 Z: 26 36.030 2.040 0.683 0.944 1.000 0.960 CA 1.453 26 residues pruned to eliminate duplicates Z: 15 7.852 1.741 0.594 0.265 0.714 0.286 CB 1.383 15 residues pruned to eliminate duplicates Z: 28 55.474 2.249 1.123 0.864 1.000 0.444 CA 1.640 28 residues pruned to eliminate duplicates Z: 10 9.432 1.947 0.497 0.549 0.778 0.556 CB 1.322 10 residues pruned to eliminate duplicates Z: 7 4.460 1.709 -0.034 0.582 1.000 0.500 CB 1.019 9 residues pruned to eliminate duplicates Z: 51 54.031 2.191 0.979 0.682 0.940 0.720 CB 1.586 51 residues pruned to eliminate duplicates Z: 7 7.334 1.775 -0.060 0.802 1.000 0.500 CB 1.378 8 residues pruned to eliminate duplicates Z: 6 6.735 1.659 0.577 0.765 1.000 0.800 N 0.910 Z: 21 8.781 1.710 0.418 0.421 0.700 0.550 CB 1.256 36 residues pruned to eliminate duplicates Z: 11 6.957 1.800 0.319 0.448 0.900 0.300 CB 1.086 6 0.913 1.495 0.403 0.480 0.800 0.600 N 0.248 ? Z: 10 4.340 1.796 0.600 0.245 0.444 0.222 O 1.520 Z: 8 5.730 1.728 0.461 0.449 0.714 0.286 CB 1.266 6 residues pruned to eliminate duplicates Z: 7 6.745 1.708 0.456 0.402 0.833 0.500 N 1.474 7 residues pruned to eliminate duplicates Z: 20 18.802 1.999 0.577 0.661 0.895 0.526 CB 1.318 20 residues pruned to eliminate duplicates Z: 13 29.206 2.070 0.821 0.917 1.000 0.417 CA 1.578 13 residues pruned to eliminate duplicates Z: 26 15.791 1.867 0.540 0.399 0.800 0.480 CB 1.527 26 residues pruned to eliminate duplicates Z: 27 52.778 2.301 1.188 0.867 0.923 0.692 CA 1.630 27 residues pruned to eliminate duplicates Z: 8 5.835 1.871 -0.235 0.858 1.000 1.000 CB 1.134 8 residues pruned to eliminate duplicates Z: 15 7.945 1.781 0.846 0.358 0.714 0.357 CB 1.053 15 residues pruned to eliminate duplicates Z: 43 50.099 2.072 1.116 0.738 0.952 0.690 CB 1.496 43 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 7 3.265 1.542 0.380 0.223 0.833 0.500 CB 1.039 7 residues pruned to eliminate duplicates Z: 12 10.644 1.937 0.457 0.515 0.909 0.455 CB 1.233 12 residues pruned to eliminate duplicates Z: 15 9.917 1.826 0.277 0.503 0.929 0.429 CB 1.220 15 residues pruned to eliminate duplicates Z: 15 11.119 1.887 0.481 0.555 0.786 0.500 CB 1.282 15 residues pruned to eliminate duplicates Z: 16 11.371 1.733 0.475 0.523 0.933 0.533 CB 1.203 16 residues pruned to eliminate duplicates Z: 16 11.350 1.794 0.328 0.558 0.867 0.600 CB 1.342 15 residues pruned to eliminate duplicates Z: 6 4.200 1.434 0.971 0.369 0.800 0.400 O 0.957 6 residues pruned to eliminate duplicates Z: 67 53.572 2.229 0.957 0.609 0.894 0.621 CB 1.525 67 residues pruned to eliminate duplicates Z: 57 52.773 2.209 0.955 0.658 0.946 0.643 CB 1.490 57 residues pruned to eliminate duplicates Z: 72 50.840 2.199 0.965 0.596 0.901 0.606 CB 1.414 72 residues pruned to eliminate duplicates Z: 19 13.570 1.833 0.885 0.395 0.833 0.444 CB 1.241 19 residues pruned to eliminate duplicates Z: 19 15.312 1.985 0.785 0.406 0.778 0.556 CB 1.445 19 residues pruned to eliminate duplicates Z: 11 15.678 1.928 0.805 0.530 0.900 0.600 CA 1.536 11 residues pruned to eliminate duplicates Z: 22 17.747 1.990 0.713 0.421 0.905 0.571 CB 1.364 22 residues pruned to eliminate duplicates Z: 7 6.603 1.671 0.521 0.550 1.000 0.833 CA 1.010 7 residues pruned to eliminate duplicates Z: 17 15.527 2.021 0.737 0.434 0.812 0.625 CA 1.457 17 residues pruned to eliminate duplicates Z: 20 16.998 1.988 0.882 0.436 0.842 0.526 CB 1.322 20 residues pruned to eliminate duplicates Z: 22 15.262 1.967 0.763 0.344 0.810 0.429 CB 1.405 22 residues pruned to eliminate duplicates Z: 19 18.772 2.008 0.829 0.415 0.889 0.444 CB 1.481 19 residues pruned to eliminate duplicates Z: 73 54.352 2.220 0.943 0.608 0.903 0.625 CB 1.485 73 residues pruned to eliminate duplicates Z: 53 51.258 2.277 0.914 0.646 0.923 0.635 CB 1.542 53 residues pruned to eliminate duplicates Z: 86 55.486 2.229 0.934 0.600 0.871 0.576 CB 1.458 86 residues pruned to eliminate duplicates Z: 54 53.504 2.251 1.110 0.655 0.906 0.660 CB 1.480 54 residues pruned to eliminate duplicates Z: 54 51.140 2.260 0.973 0.632 0.887 0.623 CB 1.569 54 residues pruned to eliminate duplicates Z: 66 57.568 2.232 1.020 0.627 0.908 0.631 CB 1.548 66 residues pruned to eliminate duplicates Z: 68 55.297 2.230 0.935 0.589 0.925 0.567 CB 1.553 68 residues pruned to eliminate duplicates Z: 51 56.868 2.302 1.101 0.664 0.920 0.540 CB 1.552 51 residues pruned to eliminate duplicates Z: 59 47.305 2.222 0.922 0.590 0.897 0.586 CB 1.489 59 residues pruned to eliminate duplicates Z: 72 50.908 2.212 0.839 0.580 0.930 0.676 CB 1.480 72 residues pruned to eliminate duplicates Z: 51 58.137 2.303 1.128 0.665 0.900 0.580 CB 1.600 51 residues pruned to eliminate duplicates Z: 51 53.392 2.302 1.042 0.669 0.900 0.580 CB 1.527 51 residues pruned to eliminate duplicates Z: 71 51.264 2.176 0.960 0.568 0.914 0.571 CB 1.471 71 residues pruned to eliminate duplicates Z: 56 51.827 2.238 0.979 0.635 0.945 0.636 CB 1.470 56 residues pruned to eliminate duplicates Z: 71 53.462 2.232 0.973 0.594 0.886 0.643 CB 1.498 71 residues pruned to eliminate duplicates Z: 44 55.811 2.363 1.056 0.697 0.907 0.674 CB 1.614 44 residues pruned to eliminate duplicates Z: 69 52.600 2.221 0.966 0.572 0.897 0.647 CB 1.518 69 residues pruned to eliminate duplicates Z: 73 54.452 2.203 0.977 0.581 0.931 0.611 CB 1.464 73 residues pruned to eliminate duplicates Z: 70 54.850 2.192 0.992 0.582 0.928 0.681 CB 1.507 70 residues pruned to eliminate duplicates Z: 52 57.258 2.304 1.146 0.644 0.922 0.627 CB 1.539 52 residues pruned to eliminate duplicates Z: 52 56.784 2.287 1.187 0.640 0.882 0.608 CB 1.580 52 residues pruned to eliminate duplicates Z: 72 50.733 2.220 0.971 0.571 0.873 0.592 CB 1.471 72 residues pruned to eliminate duplicates Z: 56 50.497 2.222 0.969 0.608 0.909 0.673 CB 1.546 56 residues pruned to eliminate duplicates Z: 51 55.454 2.273 0.962 0.666 0.940 0.640 CB 1.605 51 residues pruned to eliminate duplicates Z: 69 50.753 2.214 0.941 0.575 0.882 0.559 CB 1.509 69 residues pruned to eliminate duplicates Z: 74 49.407 2.183 0.909 0.567 0.904 0.562 CB 1.439 74 residues pruned to eliminate duplicates Z: 53 55.311 2.277 1.109 0.638 0.923 0.538 CB 1.520 53 residues pruned to eliminate duplicates Z: 58 49.836 2.251 1.064 0.622 0.877 0.544 CB 1.444 58 residues pruned to eliminate duplicates Z: 73 53.051 2.203 1.035 0.576 0.889 0.514 CB 1.459 73 residues pruned to eliminate duplicates Z: 65 56.156 2.248 1.075 0.627 0.906 0.641 CB 1.474 65 residues pruned to eliminate duplicates Z: 53 52.782 2.303 1.059 0.654 0.904 0.615 CB 1.479 53 residues pruned to eliminate duplicates Z: 51 57.328 2.313 1.078 0.673 0.920 0.640 CB 1.563 51 residues pruned to eliminate duplicates Z: 67 56.476 2.268 1.008 0.632 0.894 0.606 CB 1.509 67 residues pruned to eliminate duplicates Z: 53 56.732 2.289 1.096 0.664 0.923 0.635 CB 1.525 53 residues pruned to eliminate duplicates Z: 53 55.014 2.242 1.147 0.632 0.923 0.615 CB 1.517 53 residues pruned to eliminate duplicates Z: 72 56.458 2.202 1.018 0.594 0.915 0.676 CB 1.506 72 residues pruned to eliminate duplicates Z: 51 56.670 2.311 1.107 0.656 0.900 0.560 CB 1.583 51 residues pruned to eliminate duplicates Z: 75 52.649 2.200 0.913 0.615 0.892 0.649 CB 1.462 75 residues pruned to eliminate duplicates Z: 52 56.773 2.304 1.159 0.649 0.882 0.647 CB 1.576 52 residues pruned to eliminate duplicates Z: 57 52.782 2.250 1.034 0.637 0.893 0.518 CB 1.517 57 residues pruned to eliminate duplicates Z: 38 22.175 2.045 0.680 0.420 0.838 0.459 CB 1.376 38 residues pruned to eliminate duplicates Z: 17 18.167 2.099 0.776 0.503 0.812 0.625 CB 1.494 17 residues pruned to eliminate duplicates Z: 57 55.217 2.224 1.051 0.639 0.929 0.625 CB 1.529 57 residues pruned to eliminate duplicates Z: 12 21.355 2.213 1.001 0.639 0.909 0.455 CB 1.404 12 residues pruned to eliminate duplicates Z: 32 32.570 2.212 0.821 0.519 0.935 0.581 CB 1.524 32 residues pruned to eliminate duplicates Z: 16 20.965 2.136 0.866 0.505 0.867 0.600 CB 1.559 16 residues pruned to eliminate duplicates Z: 68 52.653 2.257 0.903 0.588 0.910 0.522 CB 1.512 68 residues pruned to eliminate duplicates Z: 66 57.683 2.259 1.025 0.606 0.908 0.615 CB 1.557 66 residues pruned to eliminate duplicates Z: 70 53.115 2.211 0.909 0.598 0.928 0.580 CB 1.487 70 residues pruned to eliminate duplicates Z: 16 13.854 2.109 0.613 0.429 0.867 0.467 CB 1.306 16 residues pruned to eliminate duplicates Z: 86 59.686 2.209 1.035 0.579 0.906 0.494 CB 1.473 86 residues pruned to eliminate duplicates Z: 76 46.181 2.195 0.861 0.522 0.867 0.480 CB 1.474 76 residues pruned to eliminate duplicates Z: 27 16.904 2.065 0.484 0.466 0.846 0.462 CB 1.325 27 residues pruned to eliminate duplicates Z: 17 17.091 2.097 0.785 0.514 0.750 0.500 CB 1.501 17 residues pruned to eliminate duplicates Z: 57 50.180 2.298 0.969 0.629 0.893 0.482 CB 1.470 57 residues pruned to eliminate duplicates Z: 19 18.880 2.049 0.820 0.629 0.833 0.667 CB 1.268 19 residues pruned to eliminate duplicates Z: 8 13.526 1.989 1.150 0.557 0.857 0.571 CB 1.319 8 residues pruned to eliminate duplicates Z: 10 18.033 2.066 1.226 0.663 0.889 0.667 CB 1.265 10 residues pruned to eliminate duplicates Z: 19 24.882 2.198 0.814 0.603 0.944 0.611 CB 1.412 19 residues pruned to eliminate duplicates Z: 20 32.562 2.171 1.069 0.606 1.000 0.684 CB 1.504 20 residues pruned to eliminate duplicates Z: 14 14.069 1.937 0.926 0.457 0.846 0.385 CB 1.292 14 residues pruned to eliminate duplicates Z: 34 22.901 2.028 0.813 0.474 0.818 0.485 CB 1.362 34 residues pruned to eliminate duplicates Z: 37 25.850 2.136 0.839 0.482 0.806 0.389 CB 1.387 37 residues pruned to eliminate duplicates Z: 21 27.476 2.217 1.142 0.541 0.850 0.600 CB 1.461 21 residues pruned to eliminate duplicates Z: 39 30.891 2.138 0.712 0.533 0.868 0.368 CB 1.527 39 residues pruned to eliminate duplicates Z: 21 23.354 2.137 1.037 0.524 0.800 0.550 CB 1.464 21 residues pruned to eliminate duplicates Z: 20 28.469 2.153 1.096 0.592 0.895 0.579 CB 1.482 20 residues pruned to eliminate duplicates Z: 13 19.042 2.200 0.951 0.517 0.833 0.500 CA 1.511 13 residues pruned to eliminate duplicates Z: 21 23.946 2.155 1.054 0.548 0.800 0.500 CB 1.443 21 residues pruned to eliminate duplicates Z: 40 29.131 2.165 0.846 0.551 0.795 0.513 CB 1.397 40 residues pruned to eliminate duplicates Z: 27 18.908 2.105 0.752 0.371 0.769 0.423 CB 1.500 27 residues pruned to eliminate duplicates Z: 40 27.585 2.094 0.748 0.532 0.821 0.462 CB 1.424 40 residues pruned to eliminate duplicates Z: 21 11.940 2.031 0.580 0.366 0.750 0.300 CB 1.281 21 residues pruned to eliminate duplicates Z: 33 21.277 2.089 0.713 0.534 0.781 0.469 CB 1.302 33 residues pruned to eliminate duplicates Z: 48 30.411 2.114 0.889 0.526 0.766 0.489 CB 1.412 48 residues pruned to eliminate duplicates Z: 30 14.225 1.976 0.683 0.360 0.690 0.379 CB 1.340 30 residues pruned to eliminate duplicates Z: 26 23.630 2.083 0.724 0.584 0.800 0.520 CB 1.519 26 residues pruned to eliminate duplicates Z: 34 21.921 2.124 0.670 0.502 0.727 0.394 CB 1.476 34 residues pruned to eliminate duplicates Z: 27 21.834 2.018 0.649 0.554 0.808 0.577 CB 1.512 27 residues pruned to eliminate duplicates Z: 24 21.237 2.121 0.642 0.594 0.783 0.522 CB 1.485 24 residues pruned to eliminate duplicates Z: 46 28.601 2.104 0.813 0.533 0.778 0.467 CB 1.392 46 residues pruned to eliminate duplicates Z: 32 28.032 2.125 0.732 0.527 0.871 0.516 CB 1.528 32 residues pruned to eliminate duplicates Z: 30 25.853 2.109 0.697 0.538 0.862 0.517 CB 1.498 30 residues pruned to eliminate duplicates Z: 25 18.955 1.995 0.491 0.582 0.833 0.458 CB 1.442 25 residues pruned to eliminate duplicates Z: 22 23.603 2.154 0.603 0.662 0.857 0.619 CB 1.497 22 residues pruned to eliminate duplicates Z: 22 27.337 2.178 0.654 0.651 0.905 0.524 CB 1.591 22 residues pruned to eliminate duplicates Z: 23 25.567 2.151 0.754 0.658 0.864 0.500 CB 1.445 23 residues pruned to eliminate duplicates Z: 27 20.145 1.986 0.649 0.483 0.846 0.538 CB 1.451 27 residues pruned to eliminate duplicates Z: 23 23.410 2.073 0.653 0.620 0.864 0.409 CB 1.506 23 residues pruned to eliminate duplicates Z: 31 22.521 2.120 0.622 0.494 0.800 0.433 CB 1.504 31 residues pruned to eliminate duplicates Z: 24 19.054 2.083 0.589 0.568 0.783 0.522 CB 1.436 24 residues pruned to eliminate duplicates Z: 34 23.141 2.075 0.669 0.504 0.818 0.515 CB 1.415 34 residues pruned to eliminate duplicates Z: 26 24.475 2.059 0.835 0.551 0.840 0.400 CB 1.467 26 residues pruned to eliminate duplicates Z: 23 26.064 2.094 0.767 0.624 0.955 0.409 CB 1.400 23 residues pruned to eliminate duplicates Z: 7 4.237 1.359 0.702 0.314 0.833 0.500 CB 1.103 7 residues pruned to eliminate duplicates Z: 25 26.739 2.089 0.901 0.574 0.875 0.375 CB 1.462 25 residues pruned to eliminate duplicates Z: 40 26.741 2.088 0.720 0.528 0.821 0.282 CB 1.414 40 residues pruned to eliminate duplicates Z: 14 21.478 1.814 0.747 0.860 1.000 0.231 CB 1.382 14 residues pruned to eliminate duplicates Z: 14 19.852 1.845 0.737 0.880 0.923 0.154 CB 1.349 14 residues pruned to eliminate duplicates Z: 15 20.387 1.772 0.710 0.899 0.929 0.357 CB 1.384 15 residues pruned to eliminate duplicates Z: 10 4.933 1.756 0.405 0.304 0.778 0.333 CA 1.066 9 residues pruned to eliminate duplicates Z: 7 3.909 1.597 0.523 0.415 0.667 0.667 CA 1.075 7 residues pruned to eliminate duplicates Z: 52 40.235 2.118 0.895 0.636 0.882 0.549 CB 1.400 47 residues pruned to eliminate duplicates Z: 7 6.478 1.796 0.583 0.459 0.667 0.333 CB 1.455 7 residues pruned to eliminate duplicates Z: 54 44.828 2.121 0.886 0.661 0.943 0.585 CB 1.406 54 residues pruned to eliminate duplicates Z: 41 42.233 2.160 0.923 0.666 0.925 0.600 CB 1.491 41 residues pruned to eliminate duplicates Z: 38 44.584 2.212 0.978 0.695 0.946 0.676 CB 1.482 38 residues pruned to eliminate duplicates Z: 55 41.931 2.112 0.852 0.645 0.907 0.611 CB 1.404 55 residues pruned to eliminate duplicates Z: 54 45.765 2.109 0.961 0.667 0.962 0.642 CB 1.353 54 residues pruned to eliminate duplicates Z: 62 39.514 2.043 0.816 0.621 0.918 0.623 CB 1.325 62 residues pruned to eliminate duplicates Z: 67 40.784 2.049 0.826 0.584 0.924 0.576 CB 1.339 67 residues pruned to eliminate duplicates Z: 53 45.895 2.107 0.895 0.687 0.962 0.692 CB 1.396 53 residues pruned to eliminate duplicates Z: 56 41.676 2.086 0.852 0.661 0.909 0.727 CB 1.379 56 residues pruned to eliminate duplicates Z: 47 45.281 2.140 0.942 0.713 0.935 0.739 CB 1.417 47 residues pruned to eliminate duplicates Z: 49 43.565 2.112 1.007 0.677 0.917 0.562 CB 1.375 49 residues pruned to eliminate duplicates Z: 38 46.288 2.209 1.087 0.685 0.946 0.568 CB 1.472 38 residues pruned to eliminate duplicates Z: 43 41.733 2.067 0.957 0.723 0.929 0.667 CB 1.402 43 residues pruned to eliminate duplicates Z: 55 40.065 2.102 0.808 0.645 0.907 0.611 CB 1.380 55 residues pruned to eliminate duplicates Z: 45 38.229 2.100 0.932 0.663 0.955 0.705 CB 1.280 45 residues pruned to eliminate duplicates Z: 69 41.575 2.033 0.802 0.618 0.912 0.632 CB 1.351 70 residues pruned to eliminate duplicates Z: 26 46.692 2.124 1.162 0.936 1.000 0.720 CB 1.416 26 residues pruned to eliminate duplicates Z: 50 46.631 2.081 0.974 0.695 0.959 0.755 CB 1.416 50 residues pruned to eliminate duplicates Z: 53 43.114 2.127 0.794 0.661 0.923 0.673 CB 1.461 53 residues pruned to eliminate duplicates Z: 52 38.054 2.061 0.938 0.640 0.902 0.647 CB 1.297 52 residues pruned to eliminate duplicates Z: 43 40.104 2.135 0.987 0.696 0.929 0.690 CB 1.313 43 residues pruned to eliminate duplicates Z: 33 44.979 2.162 1.079 0.809 0.969 0.625 CB 1.395 33 residues pruned to eliminate duplicates Z: 44 39.433 2.127 0.972 0.664 0.930 0.558 CB 1.325 44 residues pruned to eliminate duplicates Z: 42 41.051 2.146 0.967 0.701 0.951 0.634 CB 1.330 42 residues pruned to eliminate duplicates Z: 42 42.546 2.157 1.017 0.708 0.951 0.634 CB 1.329 42 residues pruned to eliminate duplicates Z: 35 43.130 2.157 1.083 0.760 0.971 0.706 CB 1.346 35 residues pruned to eliminate duplicates Z: 38 46.728 2.198 1.192 0.711 0.946 0.514 CB 1.392 38 residues pruned to eliminate duplicates Z: 61 50.674 2.207 0.925 0.638 0.967 0.633 CB 1.399 61 residues pruned to eliminate duplicates Z: 62 46.547 2.182 0.923 0.621 0.918 0.590 CB 1.380 62 residues pruned to eliminate duplicates Z: 51 38.975 2.158 0.928 0.599 0.940 0.600 CB 1.282 51 residues pruned to eliminate duplicates Z: 53 43.486 2.170 0.913 0.592 0.942 0.519 CB 1.412 53 residues pruned to eliminate duplicates Z: 27 28.204 2.114 0.653 0.635 0.923 0.577 CB 1.511 27 residues pruned to eliminate duplicates Z: 25 23.520 2.161 0.513 0.633 0.875 0.458 CB 1.481 25 residues pruned to eliminate duplicates Z: 25 27.933 2.168 0.701 0.662 0.875 0.458 CB 1.521 25 residues pruned to eliminate duplicates Z: 25 24.489 2.162 0.568 0.626 0.875 0.458 CB 1.497 25 residues pruned to eliminate duplicates Z: 41 28.530 2.132 0.580 0.600 0.850 0.450 CB 1.432 41 residues pruned to eliminate duplicates Z: 25 31.335 2.188 0.827 0.664 0.917 0.500 CB 1.500 25 residues pruned to eliminate duplicates Z: 27 25.807 2.095 0.670 0.621 0.885 0.615 CB 1.458 27 residues pruned to eliminate duplicates Z: 23 19.282 2.073 0.783 0.342 0.909 0.545 CB 1.454 23 residues pruned to eliminate duplicates Z: 6 7.980 1.826 0.658 0.288 1.000 0.400 CA 1.495 6 residues pruned to eliminate duplicates Z: 56 51.198 2.147 1.004 0.633 0.909 0.709 CB 1.558 56 residues pruned to eliminate duplicates Z: 56 48.471 2.170 0.928 0.649 0.909 0.673 CB 1.496 56 residues pruned to eliminate duplicates Z: 35 49.842 2.243 1.005 0.789 0.941 0.735 CB 1.567 35 residues pruned to eliminate duplicates Z: 54 47.085 2.148 1.003 0.635 0.849 0.660 CB 1.560 54 residues pruned to eliminate duplicates Z: 55 44.122 2.157 0.869 0.657 0.889 0.685 CB 1.449 55 residues pruned to eliminate duplicates Z: 51 50.604 2.233 0.905 0.674 0.920 0.680 CB 1.558 51 residues pruned to eliminate duplicates Z: 55 49.120 2.131 0.987 0.664 0.926 0.704 CB 1.464 55 residues pruned to eliminate duplicates Z: 33 52.387 2.225 1.086 0.790 1.000 0.625 CB 1.546 33 residues pruned to eliminate duplicates Z: 35 56.197 2.213 1.154 0.803 0.971 0.706 CB 1.599 35 residues pruned to eliminate duplicates Z: 58 50.194 2.118 1.025 0.635 0.930 0.667 CB 1.468 58 residues pruned to eliminate duplicates Z: 36 47.339 2.184 1.003 0.772 0.943 0.714 CB 1.525 36 residues pruned to eliminate duplicates Z: 49 55.672 2.207 1.047 0.723 0.958 0.708 CB 1.517 49 residues pruned to eliminate duplicates Z: 48 54.047 2.205 1.131 0.703 0.936 0.723 CB 1.489 48 residues pruned to eliminate duplicates Z: 49 50.538 2.190 1.018 0.708 0.938 0.708 CB 1.458 49 residues pruned to eliminate duplicates Z: 37 44.580 2.163 1.059 0.696 0.917 0.750 CB 1.522 37 residues pruned to eliminate duplicates Z: 52 48.341 2.212 0.913 0.664 0.863 0.725 CB 1.593 52 residues pruned to eliminate duplicates Z: 62 53.351 2.192 0.895 0.635 0.934 0.607 CB 1.551 62 residues pruned to eliminate duplicates Z: 46 56.627 2.276 1.046 0.715 0.933 0.733 CB 1.599 46 residues pruned to eliminate duplicates Z: 47 59.624 2.252 1.092 0.738 0.935 0.761 CB 1.611 47 residues pruned to eliminate duplicates Z: 54 47.279 2.174 0.880 0.643 0.906 0.679 CB 1.535 54 residues pruned to eliminate duplicates Z: 33 50.235 2.170 1.052 0.767 1.000 0.844 CB 1.575 33 residues pruned to eliminate duplicates Z: 52 51.224 2.195 0.965 0.686 0.941 0.706 CB 1.490 52 residues pruned to eliminate duplicates Z: 35 53.606 2.205 1.248 0.790 0.941 0.706 CB 1.528 35 residues pruned to eliminate duplicates Z: 67 42.350 2.053 0.874 0.618 0.894 0.561 CB 1.355 67 residues pruned to eliminate duplicates Z: 54 52.978 2.207 1.000 0.608 0.906 0.717 CB 1.644 54 residues pruned to eliminate duplicates Z: 35 48.343 2.214 1.106 0.780 0.941 0.676 CB 1.476 35 residues pruned to eliminate duplicates Z: 38 46.718 2.199 1.093 0.651 0.946 0.703 CB 1.532 38 residues pruned to eliminate duplicates Z: 50 52.109 2.212 1.012 0.707 0.939 0.714 CB 1.476 50 residues pruned to eliminate duplicates Z: 52 52.120 2.187 0.973 0.669 0.941 0.627 CB 1.537 52 residues pruned to eliminate duplicates Z: 35 49.716 2.204 1.120 0.792 0.941 0.618 CB 1.500 35 residues pruned to eliminate duplicates Z: 50 54.144 2.242 0.953 0.680 0.939 0.673 CB 1.595 50 residues pruned to eliminate duplicates Z: 19 19.152 2.219 0.602 0.509 0.833 0.611 CB 1.510 19 residues pruned to eliminate duplicates Z: 68 54.527 2.176 0.962 0.600 0.925 0.642 CB 1.533 66 residues pruned to eliminate duplicates Z: 25 46.502 2.183 0.960 0.927 1.000 0.750 CB 1.554 25 residues pruned to eliminate duplicates Z: 105 70.325 2.162 0.988 0.648 0.904 0.654 CB 1.547 191 residues pruned to eliminate duplicates Z: 7 6.544 1.990 0.680 0.406 0.833 0.833 CA 1.059 7 residues pruned to eliminate duplicates Z: 20 18.383 2.127 0.708 0.430 0.842 0.579 CB 1.482 20 residues pruned to eliminate duplicates Z: 16 26.622 2.186 0.913 0.600 0.867 0.600 CB 1.725 16 residues pruned to eliminate duplicates Z: 19 18.550 2.177 0.718 0.439 0.833 0.556 CB 1.493 19 residues pruned to eliminate duplicates Z: 53 47.420 2.175 0.964 0.645 0.904 0.673 CB 1.488 53 residues pruned to eliminate duplicates Z: 50 52.765 2.211 1.002 0.697 0.918 0.735 CB 1.550 50 residues pruned to eliminate duplicates Z: 49 57.959 2.266 1.046 0.695 0.938 0.688 CB 1.611 49 residues pruned to eliminate duplicates Z: 62 47.172 2.167 0.913 0.627 0.869 0.623 CB 1.488 62 residues pruned to eliminate duplicates Z: 15 4.124 1.723 0.305 0.143 0.571 0.286 CB 1.335 15 residues pruned to eliminate duplicates Z: 24 25.762 2.169 0.823 0.533 0.783 0.609 CB 1.681 24 residues pruned to eliminate duplicates Z: 25 27.185 2.221 0.730 0.569 0.833 0.625 CB 1.621 25 residues pruned to eliminate duplicates Z: 31 19.194 2.175 0.616 0.434 0.733 0.533 CB 1.456 31 residues pruned to eliminate duplicates Z: 59 48.837 2.221 0.977 0.657 0.862 0.672 CB 1.464 59 residues pruned to eliminate duplicates Z: 24 17.473 2.097 0.597 0.470 0.783 0.565 CB 1.433 17 residues pruned to eliminate duplicates Z: 6 3.166 1.304 0.905 0.411 1.000 0.600 C 0.626 6 residues pruned to eliminate duplicates Z: 19 13.845 2.100 0.707 0.387 0.778 0.500 CB 1.319 19 residues pruned to eliminate duplicates Z: 94 59.747 2.196 0.844 0.631 0.892 0.581 CB 1.516 94 residues pruned to eliminate duplicates Z: 40 25.219 2.110 0.742 0.472 0.795 0.590 CB 1.422 26 residues pruned to eliminate duplicates Z: 6 4.438 1.349 0.874 0.393 1.000 0.800 CA 0.878 6 residues pruned to eliminate duplicates Z: 42 37.895 2.102 0.818 0.604 0.927 0.463 CB 1.513 42 residues pruned to eliminate duplicates Z: 18 16.079 2.068 0.747 0.484 0.882 0.471 CB 1.243 18 residues pruned to eliminate duplicates Z: 41 30.474 2.143 0.636 0.579 0.875 0.375 CB 1.456 41 residues pruned to eliminate duplicates Z: 71 53.481 2.194 0.924 0.654 0.886 0.657 CB 1.482 71 residues pruned to eliminate duplicates Z: 23 26.425 2.114 0.945 0.536 0.909 0.409 CB 1.455 23 residues pruned to eliminate duplicates Z: 23 24.561 2.189 0.936 0.561 0.773 0.500 CB 1.508 23 residues pruned to eliminate duplicates Z: 16 14.966 2.149 0.698 0.435 0.800 0.333 CB 1.415 16 residues pruned to eliminate duplicates Z: 29 28.011 2.083 0.631 0.580 0.929 0.464 CA 1.554 Z: 14 25.876 2.127 0.741 0.872 0.923 0.692 CA 1.530 15 residues pruned to eliminate duplicates Z: 16 24.999 1.961 0.823 0.819 1.000 0.733 CA 1.369 16 residues pruned to eliminate duplicates Z: 62 54.921 2.193 0.973 0.639 0.967 0.557 CB 1.475 62 residues pruned to eliminate duplicates Z: 23 26.095 2.180 0.544 0.693 0.909 0.636 CB 1.524 23 residues pruned to eliminate duplicates Z: 25 30.870 2.169 0.649 0.647 0.958 0.583 CB 1.602 28 residues pruned to eliminate duplicates Z: 15 26.281 2.036 0.749 0.867 1.000 0.643 CA 1.442 15 residues pruned to eliminate duplicates Z: 25 31.575 2.197 0.711 0.668 0.958 0.458 CB 1.532 25 residues pruned to eliminate duplicates Z: 17 23.384 1.847 0.768 0.810 1.000 0.188 CA 1.367 17 residues pruned to eliminate duplicates Z: 28 24.430 2.087 0.482 0.623 0.926 0.370 CB 1.461 28 residues pruned to eliminate duplicates Z: 27 28.958 2.088 0.775 0.621 0.923 0.423 CB 1.481 27 residues pruned to eliminate duplicates Z: 28 29.340 2.114 0.718 0.644 0.889 0.556 CB 1.529 28 residues pruned to eliminate duplicates Z: 16 25.452 1.955 0.828 0.829 1.000 0.667 CA 1.384 15 residues pruned to eliminate duplicates Z: 6 6.300 1.676 0.631 0.459 1.000 0.600 CA 1.075 6 residues pruned to eliminate duplicates Z: 12 15.143 1.936 0.688 0.585 0.909 0.727 CB 1.415 12 residues pruned to eliminate duplicates Z: 58 39.837 2.027 0.839 0.630 0.947 0.614 CB 1.322 58 residues pruned to eliminate duplicates Z: 45 38.825 2.038 1.038 0.693 0.932 0.545 CB 1.268 45 residues pruned to eliminate duplicates Z: 63 39.853 2.021 0.856 0.588 0.919 0.597 CB 1.349 63 residues pruned to eliminate duplicates Z: 13 10.294 1.860 0.538 0.450 0.750 0.417 CB 1.459 13 residues pruned to eliminate duplicates Z: 15 13.773 1.848 0.888 0.454 0.786 0.357 CA 1.407 15 residues pruned to eliminate duplicates Z: 21 19.613 2.069 0.771 0.550 0.700 0.500 CB 1.629 21 residues pruned to eliminate duplicates Z: 23 15.256 1.957 0.631 0.468 0.727 0.364 CB 1.446 23 residues pruned to eliminate duplicates Z: 12 14.006 2.111 0.744 0.519 0.727 0.545 CB 1.547 12 residues pruned to eliminate duplicates Z: 74 40.004 2.051 0.813 0.559 0.863 0.521 CB 1.378 74 residues pruned to eliminate duplicates Z: 14 15.143 1.931 0.883 0.587 0.692 0.615 CA 1.534 14 residues pruned to eliminate duplicates Z: 14 14.690 1.895 0.855 0.498 0.846 0.538 CB 1.373 14 residues pruned to eliminate duplicates Z: 14 16.681 1.924 0.922 0.587 0.769 0.692 CB 1.496 14 residues pruned to eliminate duplicates Z: 13 14.353 2.008 0.841 0.592 0.667 0.583 CB 1.540 13 residues pruned to eliminate duplicates Z: 47 37.852 2.208 0.680 0.603 0.826 0.630 CB 1.652 47 residues pruned to eliminate duplicates Z: 15 11.429 1.949 0.803 0.461 0.714 0.500 CB 1.266 15 residues pruned to eliminate duplicates Z: 6 4.245 1.660 0.891 0.458 0.600 0.200 CB 1.053 6 residues pruned to eliminate duplicates Z: 39 34.077 2.155 0.642 0.601 0.868 0.526 CB 1.634 39 residues pruned to eliminate duplicates Z: 38 32.745 2.198 0.531 0.553 0.919 0.486 CB 1.654 38 residues pruned to eliminate duplicates Z: 38 32.817 2.209 0.593 0.584 0.865 0.595 CB 1.636 38 residues pruned to eliminate duplicates Z: 14 16.482 2.116 0.735 0.450 0.846 0.462 CB 1.550 14 residues pruned to eliminate duplicates Z: 34 33.271 2.248 0.512 0.572 0.909 0.545 CB 1.748 34 residues pruned to eliminate duplicates Z: 35 32.994 2.245 0.598 0.546 0.882 0.529 CB 1.710 35 residues pruned to eliminate duplicates Z: 34 33.052 2.233 0.594 0.579 0.848 0.576 CA 1.766 34 residues pruned to eliminate duplicates Z: 57 38.644 2.152 0.645 0.554 0.857 0.500 CB 1.614 57 residues pruned to eliminate duplicates Z: 35 31.060 2.232 0.417 0.593 0.912 0.559 CB 1.691 35 residues pruned to eliminate duplicates Z: 35 34.450 2.221 0.562 0.596 0.912 0.559 CA 1.704 35 residues pruned to eliminate duplicates Z: 36 34.575 2.154 0.656 0.609 0.886 0.543 CB 1.667 36 residues pruned to eliminate duplicates Z: 34 36.134 2.228 0.707 0.621 0.848 0.515 CA 1.738 34 residues pruned to eliminate duplicates Z: 34 35.057 2.193 0.740 0.571 0.879 0.485 CB 1.699 34 residues pruned to eliminate duplicates Z: 36 33.849 2.201 0.712 0.538 0.857 0.514 CB 1.706 36 residues pruned to eliminate duplicates Z: 27 23.045 2.161 0.707 0.472 0.808 0.423 CB 1.560 27 residues pruned to eliminate duplicates Z: 25 27.355 2.157 0.686 0.641 0.833 0.500 CA 1.615 25 residues pruned to eliminate duplicates Z: 45 36.694 2.229 0.775 0.567 0.795 0.523 CB 1.648 45 residues pruned to eliminate duplicates Z: 33 28.493 2.230 0.475 0.575 0.812 0.500 CB 1.753 33 residues pruned to eliminate duplicates Z: 37 32.513 2.186 0.605 0.548 0.917 0.500 CB 1.608 37 residues pruned to eliminate duplicates Z: 33 39.192 2.249 0.709 0.594 0.938 0.500 CB 1.757 33 residues pruned to eliminate duplicates Z: 36 38.727 2.196 0.718 0.618 0.914 0.457 CB 1.697 36 residues pruned to eliminate duplicates Z: 23 23.523 2.222 0.683 0.568 0.773 0.500 CA 1.625 23 residues pruned to eliminate duplicates Z: 23 27.664 2.220 0.577 0.642 0.909 0.545 CB 1.622 23 residues pruned to eliminate duplicates Z: 20 25.796 2.331 0.493 0.675 0.842 0.632 CB 1.719 20 residues pruned to eliminate duplicates Z: 38 28.206 2.139 0.549 0.518 0.865 0.486 CB 1.590 38 residues pruned to eliminate duplicates Z: 34 32.644 2.198 0.587 0.584 0.879 0.545 CA 1.711 34 residues pruned to eliminate duplicates Z: 36 26.670 2.098 0.607 0.508 0.857 0.429 CB 1.548 36 residues pruned to eliminate duplicates Z: 33 36.773 2.206 0.735 0.596 0.906 0.531 CA 1.710 33 residues pruned to eliminate duplicates Z: 31 36.358 2.231 0.743 0.607 0.900 0.567 CB 1.713 31 residues pruned to eliminate duplicates Z: 25 24.631 2.125 0.669 0.589 0.833 0.458 CB 1.562 25 residues pruned to eliminate duplicates Z: 16 27.330 2.120 0.812 0.719 0.933 0.600 CA 1.614 16 residues pruned to eliminate duplicates Z: 34 35.007 2.230 0.806 0.536 0.848 0.485 CB 1.721 34 residues pruned to eliminate duplicates Z: 15 29.587 2.228 0.939 0.735 0.857 0.643 CA 1.729 15 residues pruned to eliminate duplicates Z: 25 17.989 2.076 0.492 0.544 0.750 0.375 CB 1.514 25 residues pruned to eliminate duplicates Z: 21 30.406 2.195 0.546 0.718 1.000 0.600 CB 1.645 21 residues pruned to eliminate duplicates Z: 71 55.656 2.177 0.998 0.542 0.900 0.443 CB 1.630 71 residues pruned to eliminate duplicates Z: 77 57.436 2.190 0.984 0.563 0.882 0.553 CB 1.617 77 residues pruned to eliminate duplicates Z: 46 69.005 2.317 1.293 0.715 0.911 0.600 CB 1.749 46 residues pruned to eliminate duplicates Z: 69 61.367 2.257 1.100 0.644 0.868 0.559 CB 1.582 69 residues pruned to eliminate duplicates Z: 55 66.620 2.267 1.315 0.678 0.889 0.537 CB 1.649 55 residues pruned to eliminate duplicates Z: 74 61.126 2.244 1.005 0.617 0.904 0.562 CB 1.574 74 residues pruned to eliminate duplicates Z: 49 64.361 2.279 1.229 0.671 0.917 0.583 CB 1.704 49 residues pruned to eliminate duplicates Z: 19 21.900 2.139 0.775 0.460 0.889 0.611 CB 1.593 19 residues pruned to eliminate duplicates Z: 56 68.054 2.278 1.238 0.666 0.927 0.509 CB 1.664 56 residues pruned to eliminate duplicates Z: 66 63.638 2.250 1.163 0.598 0.892 0.569 CB 1.656 66 residues pruned to eliminate duplicates Z: 71 68.573 2.244 1.213 0.622 0.900 0.643 CB 1.633 71 residues pruned to eliminate duplicates Z: 63 57.680 2.267 1.066 0.591 0.839 0.613 CB 1.710 63 residues pruned to eliminate duplicates Z: 31 20.121 1.993 0.647 0.349 0.833 0.400 CB 1.582 31 residues pruned to eliminate duplicates Z: 68 61.543 2.212 1.078 0.599 0.910 0.642 CB 1.636 68 residues pruned to eliminate duplicates Z: 12 6.499 2.000 0.042 0.376 0.727 0.636 CB 1.476 12 residues pruned to eliminate duplicates Z: 69 59.571 2.232 1.127 0.617 0.853 0.529 CB 1.596 69 residues pruned to eliminate duplicates Z: 53 61.952 2.286 1.181 0.661 0.904 0.635 CB 1.641 53 residues pruned to eliminate duplicates Z: 21 11.463 1.874 0.755 0.327 0.850 0.550 CB 1.109 21 residues pruned to eliminate duplicates Z: 89 66.916 2.239 1.014 0.594 0.886 0.625 CB 1.631 89 residues pruned to eliminate duplicates Z: 9 7.092 1.838 0.736 0.281 0.875 0.750 CA 1.151 9 residues pruned to eliminate duplicates Z: 21 13.266 1.931 0.621 0.322 0.850 0.600 CB 1.355 21 residues pruned to eliminate duplicates Z: 22 19.020 2.048 1.022 0.425 0.857 0.619 CB 1.264 22 residues pruned to eliminate duplicates Z: 28 20.127 2.010 1.012 0.315 0.815 0.519 CB 1.442 28 residues pruned to eliminate duplicates Z: 70 70.701 2.222 1.233 0.607 0.899 0.652 CB 1.724 99 residues pruned to eliminate duplicates Z: 6 8.400 1.799 0.945 0.478 1.000 0.800 CA 1.098 6 residues pruned to eliminate duplicates Z: 51 69.210 2.269 1.319 0.695 0.920 0.720 CB 1.693 51 residues pruned to eliminate duplicates Z: 24 20.830 2.118 0.949 0.382 0.826 0.478 CB 1.445 24 residues pruned to eliminate duplicates Z: 22 24.166 2.024 1.193 0.414 0.857 0.476 CB 1.516 22 residues pruned to eliminate duplicates Z: 20 20.868 2.072 1.212 0.414 0.842 0.579 CB 1.357 20 residues pruned to eliminate duplicates Z: 12 6.364 1.915 0.751 0.223 0.727 0.455 CB 1.088 12 residues pruned to eliminate duplicates Z: 68 55.459 2.235 1.091 0.567 0.836 0.612 CB 1.626 68 residues pruned to eliminate duplicates Z: 8 8.765 2.108 0.612 0.297 0.857 0.714 CB 1.427 8 residues pruned to eliminate duplicates Z: 70 71.113 2.274 1.229 0.602 0.913 0.623 CB 1.679 70 residues pruned to eliminate duplicates Z: 53 60.500 2.285 1.122 0.654 0.904 0.635 CB 1.660 53 residues pruned to eliminate duplicates Z: 72 63.228 2.237 1.126 0.602 0.901 0.620 CB 1.589 72 residues pruned to eliminate duplicates Z: 84 65.352 2.220 1.074 0.596 0.867 0.554 CB 1.639 84 residues pruned to eliminate duplicates Z: 72 67.547 2.250 1.220 0.617 0.873 0.577 CB 1.645 72 residues pruned to eliminate duplicates Z: 59 64.670 2.281 1.124 0.616 0.948 0.724 CB 1.657 59 residues pruned to eliminate duplicates Z: 70 61.367 2.276 1.075 0.611 0.870 0.652 CB 1.620 70 residues pruned to eliminate duplicates Z: 62 59.269 2.211 1.170 0.608 0.869 0.623 CB 1.643 62 residues pruned to eliminate duplicates Z: 71 64.488 2.230 1.123 0.569 0.914 0.600 CB 1.667 71 residues pruned to eliminate duplicates Z: 59 57.422 2.250 1.136 0.603 0.879 0.707 CB 1.618 59 residues pruned to eliminate duplicates Z: 71 63.438 2.243 1.149 0.611 0.871 0.629 CB 1.625 71 residues pruned to eliminate duplicates Z: 64 65.988 2.274 1.229 0.636 0.873 0.698 CB 1.654 64 residues pruned to eliminate duplicates Z: 59 60.473 2.261 1.120 0.621 0.914 0.603 CB 1.617 59 residues pruned to eliminate duplicates Z: 58 61.683 2.255 1.091 0.644 0.912 0.684 CB 1.660 58 residues pruned to eliminate duplicates Z: 41 57.939 2.281 1.193 0.706 0.900 0.700 CB 1.686 41 residues pruned to eliminate duplicates Z: 55 62.264 2.230 1.246 0.626 0.907 0.630 CB 1.656 55 residues pruned to eliminate duplicates Z: 51 63.423 2.293 1.147 0.682 0.940 0.560 CB 1.639 51 residues pruned to eliminate duplicates Z: 46 57.052 2.227 1.244 0.638 0.911 0.644 CB 1.642 46 residues pruned to eliminate duplicates Z: 63 56.392 2.207 1.124 0.583 0.887 0.565 CB 1.590 63 residues pruned to eliminate duplicates Z: 67 64.032 2.238 1.137 0.592 0.894 0.545 CB 1.687 67 residues pruned to eliminate duplicates Z: 80 65.213 2.245 1.096 0.568 0.924 0.570 CB 1.580 80 residues pruned to eliminate duplicates Z: 74 70.592 2.275 1.198 0.602 0.904 0.575 CB 1.659 74 residues pruned to eliminate duplicates Z: 52 63.715 2.255 1.147 0.676 0.941 0.569 CB 1.665 52 residues pruned to eliminate duplicates Z: 65 60.546 2.225 1.104 0.601 0.906 0.609 CB 1.621 65 residues pruned to eliminate duplicates Z: 57 62.620 2.260 1.174 0.635 0.911 0.661 CB 1.648 57 residues pruned to eliminate duplicates Z: 73 65.827 2.212 1.214 0.577 0.889 0.583 CB 1.655 73 residues pruned to eliminate duplicates Z: 78 64.043 2.227 1.130 0.579 0.896 0.675 CB 1.591 78 residues pruned to eliminate duplicates Z: 70 57.553 2.166 1.117 0.580 0.870 0.594 CB 1.610 70 residues pruned to eliminate duplicates Z: 66 54.129 2.195 1.030 0.586 0.831 0.662 CA 1.670 66 residues pruned to eliminate duplicates Z: 10 20.230 2.231 1.064 0.620 0.778 0.556 CB 1.681 10 residues pruned to eliminate duplicates Z: 10 21.587 2.243 1.314 0.672 0.778 0.556 CB 1.521 10 residues pruned to eliminate duplicates Z: 19 35.612 2.297 1.080 0.601 0.889 0.556 CB 1.795 19 residues pruned to eliminate duplicates Z: 10 17.520 2.100 1.240 0.639 0.667 0.667 CB 1.635 10 residues pruned to eliminate duplicates Z: 20 32.036 2.261 1.113 0.565 0.842 0.421 CB 1.715 20 residues pruned to eliminate duplicates Z: 19 26.979 2.269 0.857 0.556 0.833 0.500 CB 1.715 19 residues pruned to eliminate duplicates Z: 23 32.110 2.226 1.091 0.604 0.818 0.636 CB 1.629 23 residues pruned to eliminate duplicates Z: 10 21.742 2.211 1.163 0.680 0.778 0.667 CB 1.651 10 residues pruned to eliminate duplicates Z: 75 69.634 2.262 1.168 0.634 0.905 0.595 CB 1.607 75 residues pruned to eliminate duplicates Z: 12 17.643 2.209 0.857 0.486 0.818 0.455 CA 1.607 12 residues pruned to eliminate duplicates Z: 66 48.450 2.185 0.919 0.552 0.877 0.508 CB 1.553 66 residues pruned to eliminate duplicates Z: 22 15.807 2.063 0.788 0.432 0.667 0.571 CB 1.504 22 residues pruned to eliminate duplicates Z: 13 17.393 2.161 0.856 0.542 0.750 0.583 CB 1.602 13 residues pruned to eliminate duplicates Z: 8 22.275 2.261 1.107 0.672 0.857 0.571 CB 1.759 8 residues pruned to eliminate duplicates Z: 12 19.142 2.142 1.033 0.566 0.818 0.636 CB 1.520 12 residues pruned to eliminate duplicates Z: 20 32.793 2.200 1.315 0.599 0.895 0.632 CB 1.502 20 residues pruned to eliminate duplicates Z: 15 14.015 1.928 1.179 0.380 0.929 0.500 CB 1.091 15 residues pruned to eliminate duplicates Z: 13 14.255 1.933 1.277 0.506 0.667 0.667 CB 1.394 13 residues pruned to eliminate duplicates Z: 22 24.400 2.268 0.602 0.643 0.810 0.381 CA 1.584 22 residues pruned to eliminate duplicates Z: 21 32.906 2.453 0.722 0.742 0.850 0.600 CB 1.650 27 residues pruned to eliminate duplicates Z: 21 32.208 2.455 0.577 0.725 0.850 0.750 CB 1.787 21 residues pruned to eliminate duplicates Z: 36 34.781 2.315 0.624 0.607 0.886 0.657 CB 1.596 36 residues pruned to eliminate duplicates Z: 22 36.824 2.481 0.698 0.724 0.952 0.762 CB 1.636 22 residues pruned to eliminate duplicates Z: 22 35.972 2.441 0.841 0.639 0.952 0.619 CB 1.610 22 residues pruned to eliminate duplicates Z: 23 34.595 2.439 0.799 0.671 0.909 0.591 CB 1.579 23 residues pruned to eliminate duplicates Z: 34 40.450 2.357 0.722 0.619 0.909 0.606 CB 1.705 149 residues pruned to eliminate duplicates Z: 25 31.532 2.283 0.689 0.624 0.958 0.583 CB 1.550 25 residues pruned to eliminate duplicates Z: 23 29.340 2.352 0.670 0.647 0.864 0.545 CB 1.607 23 residues pruned to eliminate duplicates Z: 28 29.073 2.253 0.693 0.540 0.852 0.444 CB 1.656 28 residues pruned to eliminate duplicates Z: 22 38.432 2.372 0.712 0.780 1.000 0.762 CB 1.613 22 residues pruned to eliminate duplicates Z: 39 43.716 2.317 0.803 0.600 0.947 0.500 CB 1.629 39 residues pruned to eliminate duplicates Z: 22 36.434 2.411 0.609 0.767 0.952 0.571 CB 1.698 22 residues pruned to eliminate duplicates Z: 22 39.829 2.380 0.686 0.795 1.000 0.667 CB 1.672 22 residues pruned to eliminate duplicates Z: 20 30.523 2.279 0.894 0.694 0.842 0.526 CB 1.614 20 residues pruned to eliminate duplicates Z: 22 41.941 2.484 0.978 0.722 0.905 0.619 CB 1.684 23 residues pruned to eliminate duplicates Z: 16 32.402 2.195 0.953 0.904 0.933 0.800 CB 1.489 14 residues pruned to eliminate duplicates Z: 15 36.811 2.324 1.175 0.896 0.929 0.714 CB 1.502 16 residues pruned to eliminate duplicates 326 residues left after pruning, divided into chains as follows: A: 6 B: 6 C: 6 D: 6 E: 9 F: 16 G: 10 H: 140 I: 16 J: 66 K: 45 CC for partial structure against native data = 31.00 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.499, Connect. = 0.694 for dens.mod. cycle 1 = 0.300, Contrast = 0.578, Connect. = 0.728 for dens.mod. cycle 2 = 0.300, Contrast = 0.675, Connect. = 0.765 for dens.mod. cycle 3 = 0.300, Contrast = 0.681, Connect. = 0.769 for dens.mod. cycle 4 = 0.300, Contrast = 0.691, Connect. = 0.773 for dens.mod. cycle 5 = 0.300, Contrast = 0.694, Connect. = 0.776 for dens.mod. cycle 6 = 0.300, Contrast = 0.698, Connect. = 0.778 for dens.mod. cycle 7 = 0.300, Contrast = 0.700, Connect. = 0.780 for dens.mod. cycle 8 = 0.300, Contrast = 0.701, Connect. = 0.781 for dens.mod. cycle 9 = 0.300, Contrast = 0.701, Connect. = 0.782 for dens.mod. cycle 10 TimeTaking 219.28