null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 21:03:26 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: ./1vqs-1.8-parrot-mrncs/1vqs-1.8-parrot-mrncs.phi -a -n -t20 Cell and symmetry only from ./1vqs-1.8-parrot-mrncs/1vqs-1.8-parrot-mrncs.ins Phases from ./1vqs-1.8-parrot-mrncs/1vqs-1.8-parrot-mrncs.phi Native data from ./1vqs-1.8-parrot-mrncs/1vqs-1.8-parrot-mrncs.hkl Listing output to ./1vqs-1.8-parrot-mrncs/1vqs-1.8-parrot-mrncs.lst Phases output to ./1vqs-1.8-parrot-mrncs/1vqs-1.8-parrot-mrncs.phs Poly-Ala trace output to ./1vqs-1.8-parrot-mrncs/1vqs-1.8-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: I 4 2 2 Allowed origin shift code: 10 64376 Reflections read from file ./1vqs-1.8-parrot-mrncs/1vqs-1.8-parrot-mrncs.phi 64376 Reflections read from file ./1vqs-1.8-parrot-mrncs/1vqs-1.8-parrot-mrncs.hkl 64376 Unique data, highest resolution = 1.800 Angstroms Anisotropic scaling: intensities multiplied by -0.000033h^2 -0.000033k^2 +0.000009l^2 +0.000000kl +0.000000hl +0.000000hk 36 Reflections with d > 2.000 and 0 in range 2.000 > d > 1.800 added Density sharpening factor set to 1.05 Fourier grid = 256 x 256 x 127 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|> = 0.761 = 0.300, Contrast = 0.434, Connect. = 0.757 for dens.mod. cycle 1 = 0.300, Contrast = 0.506, Connect. = 0.767 for dens.mod. cycle 2 = 0.300, Contrast = 0.587, Connect. = 0.785 for dens.mod. cycle 3 = 0.300, Contrast = 0.608, Connect. = 0.790 for dens.mod. cycle 4 = 0.300, Contrast = 0.619, Connect. = 0.794 for dens.mod. cycle 5 = 0.300, Contrast = 0.625, Connect. = 0.795 for dens.mod. cycle 6 = 0.300, Contrast = 0.629, Connect. = 0.797 for dens.mod. cycle 7 = 0.300, Contrast = 0.632, Connect. = 0.798 for dens.mod. cycle 8 = 0.300, Contrast = 0.633, Connect. = 0.799 for dens.mod. cycle 9 = 0.300, Contrast = 0.634, Connect. = 0.799 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3816 peaks > 0.5 sigma used to seed fragment search Space for about 746 unique residues taking solvent into account 818 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 32 24.852 1.898 0.980 0.467 0.871 0.484 CB 1.410 B: 61 59.645 2.240 0.937 0.602 0.983 0.717 CB 1.638 C: 17 28.327 2.236 0.793 0.550 1.000 0.562 CB 1.681 D: 67 66.935 2.273 1.201 0.584 0.939 0.697 CB 1.618 E: 22 32.464 2.175 1.175 0.496 0.905 0.524 CB 1.661 F: 66 58.685 2.258 0.933 0.600 0.923 0.738 CB 1.642 66 residues pruned to eliminate duplicates G: 36 42.773 2.138 1.160 0.705 0.857 0.486 CB 1.516 16 residues pruned to eliminate duplicates H: 12 33.073 2.223 1.349 0.673 0.909 0.818 CB 1.791 12 residues pruned to eliminate duplicates I: 66 58.577 2.200 0.984 0.606 0.938 0.723 CB 1.604 62 residues pruned to eliminate duplicates J: 65 68.804 2.317 1.087 0.608 0.953 0.734 CB 1.684 66 residues pruned to eliminate duplicates K: 16 23.451 2.209 0.453 0.752 0.933 0.600 CA 1.615 L: 38 39.188 2.095 1.100 0.570 0.919 0.784 CA 1.489 37 residues pruned to eliminate duplicates M: 54 63.875 2.246 1.134 0.678 0.981 0.774 CB 1.584 45 residues pruned to eliminate duplicates N: 17 26.661 1.986 1.438 0.539 0.875 0.812 CA 1.513 16 residues pruned to eliminate duplicates O: 62 53.095 2.171 0.927 0.599 0.918 0.689 CB 1.611 62 residues pruned to eliminate duplicates P: 65 67.286 2.302 1.092 0.612 0.969 0.719 CB 1.620 65 residues pruned to eliminate duplicates Q: 65 68.290 2.345 1.132 0.589 0.922 0.719 CB 1.700 16 residues pruned to eliminate duplicates R: 63 63.574 2.168 1.152 0.624 0.984 0.790 CB 1.565 62 residues pruned to eliminate duplicates S: 28 35.215 2.272 0.853 0.519 0.963 0.741 CB 1.641 28 residues pruned to eliminate duplicates T: 63 58.638 2.192 0.962 0.615 0.968 0.710 CB 1.605 17 residues pruned to eliminate duplicates U: 22 31.277 2.271 1.052 0.468 0.952 0.619 CB 1.589 22 residues pruned to eliminate duplicates V: 13 32.395 2.009 1.566 0.620 1.000 0.833 C 1.620 W: 14 28.633 2.008 0.991 0.905 1.000 0.923 CB 1.413 X: 63 70.842 2.341 1.094 0.598 0.968 0.726 CB 1.728 63 residues pruned to eliminate duplicates Y: 66 63.218 2.194 1.121 0.611 0.969 0.754 CB 1.565 63 residues pruned to eliminate duplicates Z: 63 57.664 2.222 0.929 0.607 0.952 0.742 CB 1.621 64 residues pruned to eliminate duplicates Z: 47 36.598 2.029 1.064 0.564 0.826 0.587 CB 1.466 34 residues pruned to eliminate duplicates Z: 67 63.409 2.282 1.026 0.581 0.955 0.682 CB 1.636 67 residues pruned to eliminate duplicates Z: 21 29.405 1.974 1.082 0.560 0.950 0.650 CB 1.589 21 residues pruned to eliminate duplicates Z: 65 68.346 2.300 1.125 0.601 0.938 0.750 CB 1.693 65 residues pruned to eliminate duplicates Z: 34 31.175 2.109 0.698 0.539 1.000 0.758 CB 1.458 34 residues pruned to eliminate duplicates Z: 13 33.005 2.161 1.116 0.907 1.000 1.000 CB 1.480 Z: 66 59.355 2.185 1.008 0.567 0.969 0.677 CB 1.622 67 residues pruned to eliminate duplicates Z: 15 25.764 2.221 0.625 0.804 0.857 0.571 CB 1.707 15 residues pruned to eliminate duplicates Z: 64 57.338 2.191 0.923 0.617 0.952 0.746 CB 1.612 64 residues pruned to eliminate duplicates Z: 51 41.904 2.128 0.731 0.649 0.960 0.620 CB 1.459 51 residues pruned to eliminate duplicates Z: 17 27.579 2.156 0.960 0.719 0.938 0.562 CA 1.427 17 residues pruned to eliminate duplicates Z: 26 46.983 2.210 1.480 0.744 0.840 0.640 CB 1.641 Z: 71 59.606 2.271 1.040 0.553 0.900 0.700 CB 1.623 71 residues pruned to eliminate duplicates Z: 64 43.034 2.062 0.853 0.584 0.937 0.571 CB 1.398 47 residues pruned to eliminate duplicates Z: 67 60.395 2.198 1.033 0.571 0.970 0.697 CB 1.602 66 residues pruned to eliminate duplicates Z: 15 38.361 2.091 1.250 0.875 1.000 0.643 CB 1.584 6 residues pruned to eliminate duplicates Z: 34 37.787 2.138 0.918 0.575 0.970 0.697 CB 1.540 34 residues pruned to eliminate duplicates Z: 15 22.272 2.148 0.605 0.772 0.857 0.500 CA 1.583 15 residues pruned to eliminate duplicates Z: 15 33.219 2.331 0.638 0.818 1.000 0.643 CB 1.764 15 residues pruned to eliminate duplicates Z: 12 49.080 2.402 1.806 0.844 0.909 0.818 CB 1.797 13 residues pruned to eliminate duplicates Z: 49 42.555 2.065 1.160 0.557 0.833 0.500 CB 1.563 75 residues pruned to eliminate duplicates Z: 67 62.088 2.242 1.005 0.606 0.955 0.712 CB 1.611 62 residues pruned to eliminate duplicates Z: 65 59.400 2.210 0.981 0.588 0.984 0.750 CB 1.583 64 residues pruned to eliminate duplicates Z: 15 29.055 2.294 0.550 0.808 1.000 0.500 CA 1.670 15 residues pruned to eliminate duplicates Z: 16 23.430 2.141 0.641 0.809 0.867 0.600 CB 1.517 16 residues pruned to eliminate duplicates Z: 13 30.418 2.178 0.930 0.897 0.917 0.833 CB 1.632 13 residues pruned to eliminate duplicates Z: 64 62.147 2.195 1.186 0.613 0.937 0.714 CB 1.566 66 residues pruned to eliminate duplicates Z: 71 67.538 2.290 1.115 0.552 0.943 0.657 CB 1.680 71 residues pruned to eliminate duplicates Z: 70 53.972 2.213 0.911 0.554 0.928 0.623 CB 1.571 70 residues pruned to eliminate duplicates Z: 43 47.215 2.179 1.177 0.617 0.905 0.524 CB 1.520 43 residues pruned to eliminate duplicates Z: 66 60.398 2.191 1.113 0.610 0.954 0.708 CB 1.528 66 residues pruned to eliminate duplicates Z: 65 66.177 2.293 1.065 0.585 0.969 0.703 CB 1.662 65 residues pruned to eliminate duplicates Z: 14 23.609 2.002 1.181 0.597 1.000 0.615 CA 1.367 Z: 20 25.839 1.962 1.175 0.519 0.895 0.579 CB 1.523 20 residues pruned to eliminate duplicates Z: 36 40.227 2.150 1.180 0.691 0.800 0.571 CB 1.523 13 residues pruned to eliminate duplicates Z: 14 26.187 2.271 0.593 0.788 0.923 0.615 CA 1.690 14 residues pruned to eliminate duplicates Z: 16 24.744 2.219 0.656 0.743 0.867 0.600 CA 1.613 16 residues pruned to eliminate duplicates Z: 58 56.463 2.219 0.957 0.619 0.965 0.737 CB 1.595 58 residues pruned to eliminate duplicates Z: 60 66.706 2.297 1.061 0.622 0.966 0.780 CB 1.692 60 residues pruned to eliminate duplicates Z: 96 62.011 2.154 0.936 0.608 0.895 0.716 CB 1.538 95 residues pruned to eliminate duplicates Z: 81 57.364 2.158 1.011 0.565 0.938 0.663 CB 1.480 78 residues pruned to eliminate duplicates Z: 16 34.682 2.324 0.993 0.608 1.000 0.800 CB 1.745 16 residues pruned to eliminate duplicates Z: 85 58.429 2.170 0.920 0.554 0.929 0.690 CB 1.563 67 residues pruned to eliminate duplicates Z: 16 19.735 1.997 0.325 0.910 1.000 0.933 CA 1.367 16 residues pruned to eliminate duplicates Z: 38 39.955 2.129 1.065 0.648 0.838 0.622 CB 1.553 38 residues pruned to eliminate duplicates Z: 34 33.850 2.154 1.231 0.456 0.788 0.576 CB 1.628 34 residues pruned to eliminate duplicates Z: 14 27.788 2.042 0.895 0.894 0.923 0.769 CB 1.548 14 residues pruned to eliminate duplicates Z: 18 29.829 2.007 1.284 0.592 0.941 0.765 CA 1.535 18 residues pruned to eliminate duplicates Z: 100 68.667 2.180 1.036 0.596 0.909 0.626 CB 1.561 63 residues pruned to eliminate duplicates Z: 17 17.162 2.033 0.339 0.773 0.875 0.688 CA 1.415 17 residues pruned to eliminate duplicates Z: 15 28.827 1.964 0.987 0.881 1.000 0.714 CA 1.429 15 residues pruned to eliminate duplicates Z: 64 57.798 2.224 0.928 0.596 0.952 0.683 CB 1.627 64 residues pruned to eliminate duplicates Z: 16 25.178 2.160 1.301 0.611 0.867 0.667 CB 1.358 Z: 62 59.454 2.225 1.004 0.602 0.967 0.721 CB 1.602 62 residues pruned to eliminate duplicates Z: 65 71.939 2.307 1.172 0.599 0.953 0.734 CB 1.713 66 residues pruned to eliminate duplicates Z: 14 36.225 2.100 1.252 0.891 1.000 0.692 CB 1.527 Z: 15 26.627 2.329 0.607 0.824 0.857 0.714 CA 1.675 15 residues pruned to eliminate duplicates Z: 69 65.159 2.251 1.096 0.583 0.971 0.676 CB 1.594 85 residues pruned to eliminate duplicates Z: 6 6.781 2.154 0.784 0.378 0.600 0.400 CB 1.498 6 residues pruned to eliminate duplicates Z: 67 69.062 2.304 1.079 0.590 0.970 0.742 CB 1.679 65 residues pruned to eliminate duplicates Z: 15 20.445 2.162 0.389 0.843 0.929 0.643 CA 1.460 15 residues pruned to eliminate duplicates Z: 21 32.115 2.009 1.276 0.583 0.950 0.650 CB 1.526 21 residues pruned to eliminate duplicates Z: 27 47.160 2.230 1.369 0.714 0.923 0.692 CB 1.562 31 residues pruned to eliminate duplicates Z: 66 60.307 2.215 1.024 0.595 0.954 0.723 CB 1.598 66 residues pruned to eliminate duplicates Z: 66 56.904 2.242 0.887 0.578 0.954 0.662 CB 1.622 66 residues pruned to eliminate duplicates Z: 11 7.572 1.883 0.927 0.359 0.700 0.500 CB 1.098 8 residues pruned to eliminate duplicates Z: 16 20.672 2.023 0.331 0.925 1.000 0.933 CA 1.391 16 residues pruned to eliminate duplicates Z: 60 60.255 2.212 0.976 0.631 0.983 0.746 CB 1.615 60 residues pruned to eliminate duplicates Z: 14 36.286 2.148 1.349 0.855 1.000 0.615 CB 1.472 14 residues pruned to eliminate duplicates Z: 16 19.572 2.082 1.268 0.558 0.667 0.533 CB 1.517 16 residues pruned to eliminate duplicates Z: 16 25.807 2.166 0.644 0.810 0.867 0.667 CA 1.649 16 residues pruned to eliminate duplicates Z: 65 63.393 2.292 1.066 0.588 0.922 0.719 CB 1.669 65 residues pruned to eliminate duplicates Z: 10 14.267 1.974 0.325 0.849 0.889 0.556 CB 1.517 10 residues pruned to eliminate duplicates Z: 16 23.238 2.027 0.570 0.919 1.000 0.867 CB 1.329 16 residues pruned to eliminate duplicates Z: 50 50.028 2.191 1.199 0.580 0.918 0.592 CB 1.496 41 residues pruned to eliminate duplicates Z: 13 19.042 2.112 0.733 0.782 0.750 0.417 CA 1.562 13 residues pruned to eliminate duplicates Z: 63 72.461 2.331 1.135 0.604 0.984 0.710 CB 1.703 63 residues pruned to eliminate duplicates Z: 14 32.401 2.066 1.129 0.881 1.000 0.769 CB 1.480 Z: 14 23.320 2.229 0.800 0.679 0.846 0.385 CB 1.616 14 residues pruned to eliminate duplicates Z: 60 57.154 2.211 0.977 0.624 0.966 0.797 CB 1.569 60 residues pruned to eliminate duplicates Z: 119 87.078 2.262 1.038 0.612 0.949 0.636 CB 1.647 149 residues pruned to eliminate duplicates Z: 14 31.030 2.114 0.979 0.893 1.000 0.846 CB 1.477 14 residues pruned to eliminate duplicates Z: 62 59.509 2.186 1.068 0.591 0.951 0.721 CB 1.624 62 residues pruned to eliminate duplicates Z: 14 29.657 2.146 1.296 0.659 0.846 0.692 CB 1.702 14 residues pruned to eliminate duplicates Z: 15 27.305 2.308 0.468 0.794 1.000 0.714 CA 1.666 15 residues pruned to eliminate duplicates Z: 123 85.293 2.243 1.025 0.609 0.967 0.639 CB 1.586 123 residues pruned to eliminate duplicates Z: 86 62.026 2.128 0.946 0.627 0.965 0.659 CB 1.494 86 residues pruned to eliminate duplicates Z: 15 28.402 2.176 0.657 0.927 1.000 0.929 CA 1.475 15 residues pruned to eliminate duplicates Z: 65 67.284 2.305 1.077 0.607 0.969 0.750 CB 1.638 65 residues pruned to eliminate duplicates Z: 15 34.587 2.065 1.047 0.922 1.000 0.786 CB 1.538 14 residues pruned to eliminate duplicates Z: 13 25.782 2.006 1.328 0.623 1.000 0.750 CA 1.419 13 residues pruned to eliminate duplicates Z: 61 58.988 2.205 1.023 0.629 0.950 0.817 CB 1.592 60 residues pruned to eliminate duplicates Z: 64 67.456 2.322 1.074 0.579 0.952 0.730 CB 1.718 64 residues pruned to eliminate duplicates Z: 13 33.309 2.155 1.033 0.878 1.000 0.917 CB 1.593 13 residues pruned to eliminate duplicates Z: 12 32.149 2.144 1.104 0.895 1.000 0.818 CB 1.541 12 residues pruned to eliminate duplicates Z: 15 30.135 2.089 1.130 0.793 0.929 0.786 CB 1.507 15 residues pruned to eliminate duplicates Z: 14 36.936 2.105 1.253 0.902 1.000 0.846 CB 1.541 14 residues pruned to eliminate duplicates Z: 13 32.587 2.182 0.999 0.882 1.000 1.000 CB 1.560 13 residues pruned to eliminate duplicates Z: 12 16.739 2.035 1.461 0.301 0.818 0.636 CB 1.538 12 residues pruned to eliminate duplicates Z: 13 24.203 2.088 1.293 0.622 0.833 0.583 CA 1.560 13 residues pruned to eliminate duplicates Z: 14 30.720 2.060 1.171 0.850 1.000 0.769 CA 1.411 14 residues pruned to eliminate duplicates Z: 29 38.113 2.106 1.369 0.584 0.857 0.607 CB 1.554 29 residues pruned to eliminate duplicates Z: 65 62.838 2.214 1.004 0.614 0.984 0.703 CB 1.614 65 residues pruned to eliminate duplicates Z: 61 57.497 2.194 0.959 0.615 0.983 0.717 CB 1.576 61 residues pruned to eliminate duplicates Z: 12 17.976 1.827 0.932 0.795 0.909 0.545 CB 1.304 Z: 62 66.567 2.287 1.056 0.618 0.984 0.754 CB 1.648 62 residues pruned to eliminate duplicates Z: 36 38.917 2.074 1.204 0.613 0.829 0.571 CB 1.560 36 residues pruned to eliminate duplicates Z: 16 17.294 2.030 0.244 0.821 0.933 0.667 CA 1.435 16 residues pruned to eliminate duplicates Z: 14 31.612 2.104 1.070 0.905 1.000 1.000 CB 1.432 14 residues pruned to eliminate duplicates Z: 28 28.947 2.054 1.157 0.515 0.815 0.704 CB 1.520 28 residues pruned to eliminate duplicates Z: 16 20.805 2.051 0.518 0.812 0.933 0.667 CA 1.409 16 residues pruned to eliminate duplicates Z: 9 14.648 1.991 0.555 0.903 0.875 0.625 CB 1.362 9 residues pruned to eliminate duplicates Z: 65 58.328 2.228 0.976 0.596 0.953 0.766 CB 1.585 65 residues pruned to eliminate duplicates Z: 27 37.175 2.177 1.342 0.705 0.769 0.577 CB 1.543 28 residues pruned to eliminate duplicates Z: 59 54.882 2.143 1.016 0.655 0.983 0.793 CB 1.470 58 residues pruned to eliminate duplicates Z: 15 21.386 2.145 0.346 0.923 1.000 0.929 CB 1.392 15 residues pruned to eliminate duplicates Z: 19 32.494 2.207 0.957 0.549 1.000 0.722 CB 1.690 19 residues pruned to eliminate duplicates Z: 66 68.135 2.318 1.102 0.578 0.954 0.708 CB 1.687 66 residues pruned to eliminate duplicates Z: 38 41.676 2.119 1.160 0.688 0.865 0.622 CB 1.456 39 residues pruned to eliminate duplicates Z: 44 54.772 2.274 0.986 0.661 0.977 0.605 CB 1.631 44 residues pruned to eliminate duplicates Z: 13 22.995 2.039 0.597 0.838 0.917 0.750 CB 1.663 13 residues pruned to eliminate duplicates Z: 58 63.102 2.228 1.158 0.641 0.982 0.825 CB 1.551 58 residues pruned to eliminate duplicates Z: 14 22.625 2.085 0.593 0.942 0.923 0.923 CA 1.419 14 residues pruned to eliminate duplicates Z: 14 27.549 2.025 1.022 0.876 1.000 0.538 CB 1.356 14 residues pruned to eliminate duplicates Z: 15 38.252 2.216 1.132 0.929 1.000 0.714 CA 1.514 15 residues pruned to eliminate duplicates Z: 60 62.759 2.299 0.952 0.590 0.983 0.678 CB 1.698 60 residues pruned to eliminate duplicates Z: 66 57.695 2.209 0.879 0.603 0.969 0.708 CB 1.613 66 residues pruned to eliminate duplicates Z: 15 34.974 2.020 1.218 0.877 1.000 0.786 CB 1.515 15 residues pruned to eliminate duplicates Z: 14 29.943 2.202 1.093 0.841 0.923 0.462 CB 1.455 14 residues pruned to eliminate duplicates Z: 13 25.377 1.943 1.547 0.648 0.917 0.750 CA 1.406 Z: 13 35.780 2.183 1.129 0.913 1.000 1.000 CB 1.573 13 residues pruned to eliminate duplicates Z: 36 42.004 2.163 1.016 0.718 0.857 0.771 CB 1.560 36 residues pruned to eliminate duplicates Z: 19 29.627 2.075 1.350 0.529 0.889 0.667 CB 1.566 19 residues pruned to eliminate duplicates Z: 14 33.730 2.043 1.297 0.853 1.000 0.769 CB 1.474 14 residues pruned to eliminate duplicates Z: 15 18.224 2.017 0.275 0.896 0.929 0.786 CA 1.462 15 residues pruned to eliminate duplicates Z: 15 31.064 2.019 0.895 0.880 1.000 0.643 CA 1.573 15 residues pruned to eliminate duplicates Z: 12 31.766 2.203 1.023 0.887 1.000 1.000 CB 1.549 12 residues pruned to eliminate duplicates Z: 50 43.517 2.156 1.201 0.545 0.837 0.612 CB 1.498 50 residues pruned to eliminate duplicates Z: 15 26.112 2.052 0.673 0.923 1.000 1.000 CB 1.429 15 residues pruned to eliminate duplicates Z: 15 34.735 2.067 1.112 0.901 1.000 0.786 CB 1.518 15 residues pruned to eliminate duplicates Z: 8 20.067 2.078 0.701 0.871 1.000 0.857 CB 1.565 Z: 63 64.005 2.299 1.040 0.585 0.935 0.677 CB 1.709 63 residues pruned to eliminate duplicates Z: 13 36.208 2.185 1.145 0.891 1.000 0.917 CB 1.603 13 residues pruned to eliminate duplicates Z: 6 8.545 1.966 0.257 0.854 0.800 0.800 CB 1.428 6 residues pruned to eliminate duplicates Z: 15 22.457 2.034 0.617 0.923 0.929 0.643 CA 1.381 15 residues pruned to eliminate duplicates Z: 60 58.710 2.223 1.020 0.599 0.932 0.712 CB 1.661 60 residues pruned to eliminate duplicates Z: 15 29.963 2.101 0.810 0.930 1.000 1.000 CB 1.473 15 residues pruned to eliminate duplicates Z: 66 66.862 2.304 1.024 0.598 0.969 0.723 CB 1.671 66 residues pruned to eliminate duplicates Z: 28 37.839 2.104 1.344 0.674 0.889 0.593 CB 1.415 28 residues pruned to eliminate duplicates Z: 89 66.899 2.160 1.023 0.635 0.932 0.739 CB 1.543 63 residues pruned to eliminate duplicates Z: 10 16.419 1.967 0.478 0.884 0.889 0.556 CB 1.531 10 residues pruned to eliminate duplicates Z: 71 56.540 2.193 0.927 0.579 0.971 0.657 CB 1.527 71 residues pruned to eliminate duplicates Z: 10 16.300 1.882 0.798 0.817 1.000 0.667 CB 1.219 Z: 15 31.802 2.067 1.332 0.879 1.000 0.786 CB 1.278 15 residues pruned to eliminate duplicates Z: 15 28.485 2.196 0.730 0.894 1.000 0.857 CA 1.437 15 residues pruned to eliminate duplicates Z: 66 60.339 2.201 1.019 0.595 0.954 0.754 CB 1.612 66 residues pruned to eliminate duplicates Z: 12 18.974 1.902 1.230 0.789 0.909 0.636 CB 1.151 14 residues pruned to eliminate duplicates Z: 65 63.386 2.198 1.052 0.593 0.953 0.641 CB 1.686 65 residues pruned to eliminate duplicates Z: 15 32.953 1.992 1.053 0.908 1.000 0.857 CB 1.530 15 residues pruned to eliminate duplicates Z: 14 36.158 2.155 1.207 0.904 1.000 0.769 CB 1.502 14 residues pruned to eliminate duplicates Z: 64 70.175 2.295 1.116 0.591 0.984 0.730 CB 1.697 64 residues pruned to eliminate duplicates Z: 62 63.566 2.285 1.041 0.594 0.984 0.770 CB 1.621 62 residues pruned to eliminate duplicates Z: 66 67.139 2.298 1.082 0.577 0.969 0.646 CB 1.668 66 residues pruned to eliminate duplicates Z: 14 26.666 2.146 0.599 0.917 1.000 0.923 CB 1.521 14 residues pruned to eliminate duplicates Z: 27 41.022 2.138 1.248 0.677 0.885 0.462 CB 1.607 60 residues pruned to eliminate duplicates Z: 63 59.612 2.203 0.949 0.596 0.968 0.758 CB 1.663 63 residues pruned to eliminate duplicates Z: 17 34.213 2.078 1.099 0.904 1.000 0.875 CA 1.397 17 residues pruned to eliminate duplicates Z: 93 70.952 2.256 1.085 0.619 0.891 0.641 CB 1.577 92 residues pruned to eliminate duplicates Z: 96 78.113 2.229 1.168 0.614 0.947 0.747 CB 1.572 179 residues pruned to eliminate duplicates Z: 8 4.925 1.829 1.215 0.383 0.429 0.286 CB 1.214 Z: 15 34.153 1.932 1.321 0.857 1.000 0.714 CB 1.499 15 residues pruned to eliminate duplicates Z: 12 13.477 1.815 0.613 0.767 0.818 0.636 CB 1.338 12 residues pruned to eliminate duplicates Z: 17 30.592 2.111 1.001 0.849 0.938 0.812 CA 1.431 17 residues pruned to eliminate duplicates Z: 41 50.998 2.163 1.049 0.724 0.975 0.825 CB 1.524 41 residues pruned to eliminate duplicates Z: 51 45.674 2.130 0.774 0.629 0.980 0.700 CB 1.545 51 residues pruned to eliminate duplicates Z: 22 27.193 2.066 0.794 0.821 0.857 0.667 CB 1.414 22 residues pruned to eliminate duplicates Z: 15 23.404 2.141 0.481 0.919 1.000 0.857 CA 1.390 15 residues pruned to eliminate duplicates Z: 14 27.267 2.111 0.883 0.865 1.000 0.846 CB 1.394 Z: 9 20.846 2.021 1.022 0.757 0.875 0.500 CA 1.640 Z: 15 36.483 2.174 1.110 0.929 1.000 0.857 CA 1.488 15 residues pruned to eliminate duplicates Z: 14 9.614 1.814 1.109 0.297 0.692 0.385 CB 1.262 14 residues pruned to eliminate duplicates Z: 64 60.472 2.198 1.104 0.611 0.968 0.778 CB 1.531 64 residues pruned to eliminate duplicates Z: 14 31.590 2.037 0.902 0.883 1.000 0.846 CB 1.634 14 residues pruned to eliminate duplicates Z: 50 55.182 2.276 1.023 0.630 0.918 0.694 CB 1.650 50 residues pruned to eliminate duplicates Z: 11 18.885 1.904 0.950 0.862 1.000 0.600 CB 1.181 11 residues pruned to eliminate duplicates Z: 71 61.569 2.274 0.985 0.557 0.957 0.643 CB 1.611 71 residues pruned to eliminate duplicates Z: 65 66.930 2.325 1.066 0.592 0.953 0.750 CB 1.674 65 residues pruned to eliminate duplicates Z: 66 59.753 2.222 0.938 0.583 0.969 0.723 CB 1.639 66 residues pruned to eliminate duplicates Z: 30 25.723 1.967 1.241 0.608 0.759 0.448 CB 1.289 30 residues pruned to eliminate duplicates Z: 12 14.844 1.795 0.722 0.803 0.909 0.727 CB 1.223 Z: 15 20.170 2.109 0.351 0.873 0.929 0.643 CA 1.484 15 residues pruned to eliminate duplicates Z: 14 35.799 2.150 1.244 0.863 1.000 0.846 CB 1.510 14 residues pruned to eliminate duplicates Z: 12 16.995 2.185 0.628 0.741 0.727 0.455 CB 1.596 12 residues pruned to eliminate duplicates Z: 14 35.761 2.121 1.222 0.878 1.000 0.615 CB 1.528 14 residues pruned to eliminate duplicates Z: 7 6.210 2.127 0.873 0.355 0.667 0.667 CA 1.117 7 residues pruned to eliminate duplicates Z: 15 31.709 2.098 1.178 0.880 1.000 0.929 CB 1.344 15 residues pruned to eliminate duplicates Z: 17 21.056 2.119 0.509 0.745 0.875 0.688 CA 1.512 17 residues pruned to eliminate duplicates Z: 123 93.406 2.265 1.105 0.618 0.959 0.689 CB 1.654 95 residues pruned to eliminate duplicates Z: 16 28.130 1.929 0.911 0.882 1.000 0.933 CB 1.426 Z: 15 34.252 2.168 0.998 0.935 1.000 0.857 CB 1.473 15 residues pruned to eliminate duplicates Z: 23 31.172 1.965 1.004 0.818 0.955 0.455 CB 1.341 26 residues pruned to eliminate duplicates Z: 66 58.985 2.207 1.090 0.576 0.923 0.692 CB 1.597 66 residues pruned to eliminate duplicates Z: 63 52.247 2.155 0.879 0.568 0.935 0.694 CB 1.639 63 residues pruned to eliminate duplicates Z: 15 10.651 1.866 0.794 0.304 1.000 0.429 CB 1.058 15 residues pruned to eliminate duplicates Z: 16 32.025 2.118 0.942 0.871 1.000 0.800 CA 1.466 16 residues pruned to eliminate duplicates Z: 22 32.341 1.955 0.866 0.894 0.952 0.762 CB 1.458 22 residues pruned to eliminate duplicates Z: 14 28.534 2.110 0.918 0.849 1.000 0.615 CB 1.450 15 residues pruned to eliminate duplicates Z: 14 39.117 2.141 1.215 0.883 1.000 0.769 CB 1.654 14 residues pruned to eliminate duplicates Z: 15 31.997 2.088 1.035 0.886 1.000 0.929 CB 1.452 15 residues pruned to eliminate duplicates Z: 16 24.209 1.931 0.841 0.844 1.000 0.600 CB 1.308 16 residues pruned to eliminate duplicates Z: 15 30.252 2.075 0.884 0.943 1.000 0.857 CA 1.434 15 residues pruned to eliminate duplicates Z: 24 30.544 2.011 0.862 0.818 0.913 0.652 CB 1.413 23 residues pruned to eliminate duplicates Z: 15 28.941 2.070 0.802 0.928 1.000 0.929 CB 1.452 15 residues pruned to eliminate duplicates Z: 13 17.897 2.034 0.645 0.825 0.833 0.667 CA 1.399 13 residues pruned to eliminate duplicates Z: 15 24.524 2.059 0.577 0.929 1.000 0.929 CA 1.413 15 residues pruned to eliminate duplicates Z: 16 18.834 1.942 0.466 0.806 0.933 0.600 CB 1.401 16 residues pruned to eliminate duplicates Z: 14 39.732 2.253 1.112 0.932 1.000 0.923 CA 1.617 14 residues pruned to eliminate duplicates Z: 64 69.421 2.309 1.098 0.587 0.984 0.714 CB 1.687 64 residues pruned to eliminate duplicates Z: 34 36.855 2.141 0.877 0.555 0.970 0.697 CB 1.560 34 residues pruned to eliminate duplicates Z: 38 36.517 2.092 1.103 0.656 0.811 0.595 CB 1.457 38 residues pruned to eliminate duplicates Z: 35 43.042 2.129 1.045 0.695 0.971 0.500 CB 1.461 34 residues pruned to eliminate duplicates Z: 65 60.659 2.259 0.917 0.599 0.969 0.750 CB 1.644 65 residues pruned to eliminate duplicates Z: 18 23.073 2.026 0.536 0.788 0.882 0.529 CA 1.581 18 residues pruned to eliminate duplicates Z: 13 38.174 2.233 1.321 0.901 1.000 0.917 CB 1.518 15 residues pruned to eliminate duplicates Z: 16 20.483 2.016 0.481 0.774 1.000 0.667 CB 1.390 16 residues pruned to eliminate duplicates Z: 12 13.510 1.768 0.600 0.865 1.000 0.636 CB 1.055 12 residues pruned to eliminate duplicates Z: 14 34.136 2.210 1.059 0.889 1.000 0.923 CB 1.498 14 residues pruned to eliminate duplicates Z: 14 36.457 2.211 1.246 0.915 1.000 0.692 CB 1.439 14 residues pruned to eliminate duplicates Z: 24 21.731 1.802 0.692 0.761 0.957 0.522 CB 1.232 24 residues pruned to eliminate duplicates Z: 20 25.079 2.071 1.165 0.506 0.842 0.632 CB 1.514 57 residues pruned to eliminate duplicates Z: 57 46.859 2.091 1.270 0.566 0.857 0.589 CB 1.443 57 residues pruned to eliminate duplicates Z: 20 30.839 2.082 1.047 0.839 0.895 0.421 CB 1.386 20 residues pruned to eliminate duplicates Z: 6 6.228 1.544 0.544 0.771 1.000 0.800 CA 0.919 6 residues pruned to eliminate duplicates Z: 15 24.391 2.155 0.525 0.929 1.000 0.857 CB 1.388 15 residues pruned to eliminate duplicates Z: 14 29.548 2.085 1.121 0.887 1.000 0.692 CB 1.336 14 residues pruned to eliminate duplicates Z: 12 19.534 1.913 0.943 0.824 1.000 0.636 CB 1.197 11 residues pruned to eliminate duplicates Z: 15 34.403 2.338 0.738 0.803 1.000 0.571 CA 1.736 15 residues pruned to eliminate duplicates Z: 14 20.970 2.078 0.494 0.770 1.000 0.692 CB 1.475 14 residues pruned to eliminate duplicates Z: 16 16.826 1.955 0.396 0.775 0.867 0.667 CB 1.441 16 residues pruned to eliminate duplicates Z: 15 19.347 2.096 0.391 0.929 0.929 0.929 CB 1.336 15 residues pruned to eliminate duplicates Z: 64 59.533 2.193 0.924 0.599 0.968 0.683 CB 1.670 63 residues pruned to eliminate duplicates Z: 17 25.579 1.911 0.731 0.908 1.000 0.812 CB 1.373 Z: 15 26.035 2.059 0.658 0.934 1.000 0.714 CB 1.421 15 residues pruned to eliminate duplicates Z: 15 28.071 2.082 0.846 0.926 1.000 1.000 CB 1.369 32 residues pruned to eliminate duplicates Z: 15 32.396 2.112 0.979 0.917 1.000 0.929 CB 1.462 15 residues pruned to eliminate duplicates Z: 11 11.813 2.127 0.996 0.370 0.900 0.600 CB 1.124 19 residues pruned to eliminate duplicates Z: 15 33.805 2.001 1.130 0.904 1.000 0.714 CB 1.510 15 residues pruned to eliminate duplicates Z: 14 30.627 2.102 1.079 0.951 1.000 1.000 CB 1.339 14 residues pruned to eliminate duplicates Z: 49 60.529 2.294 1.171 0.637 0.958 0.729 CB 1.610 49 residues pruned to eliminate duplicates Z: 14 32.108 2.095 1.227 0.944 1.000 0.846 CB 1.321 14 residues pruned to eliminate duplicates Z: 12 18.346 1.805 0.792 0.842 1.000 0.727 CB 1.274 12 residues pruned to eliminate duplicates Z: 65 63.772 2.238 1.054 0.623 0.969 0.719 CB 1.594 65 residues pruned to eliminate duplicates Z: 14 32.563 2.129 1.299 0.866 1.000 0.923 CB 1.351 24 residues pruned to eliminate duplicates Z: 18 29.396 2.147 0.929 0.570 1.000 0.765 CB 1.609 18 residues pruned to eliminate duplicates Z: 14 31.959 2.155 0.870 0.953 1.000 1.000 CB 1.514 14 residues pruned to eliminate duplicates Z: 23 26.700 1.880 0.971 0.817 0.955 0.500 CB 1.222 Z: 38 45.528 2.179 1.151 0.704 0.892 0.595 CB 1.488 13 residues pruned to eliminate duplicates Z: 16 28.931 2.126 0.760 0.909 1.000 0.800 CA 1.416 16 residues pruned to eliminate duplicates Z: 71 58.746 2.177 1.002 0.564 0.971 0.700 CB 1.560 71 residues pruned to eliminate duplicates Z: 13 22.867 2.010 1.057 0.727 1.000 0.833 CB 1.302 13 residues pruned to eliminate duplicates Z: 9 16.187 1.959 0.659 0.874 1.000 0.750 CB 1.282 9 residues pruned to eliminate duplicates Z: 10 9.983 1.826 0.335 0.860 0.889 0.667 CB 1.129 10 residues pruned to eliminate duplicates Z: 67 57.570 2.204 0.951 0.588 0.939 0.712 CB 1.612 67 residues pruned to eliminate duplicates Z: 34 41.796 2.080 1.222 0.666 0.939 0.576 CB 1.438 16 residues pruned to eliminate duplicates Z: 10 21.744 1.966 1.170 0.841 1.000 0.667 CB 1.267 Z: 14 32.838 2.098 1.054 0.887 1.000 0.846 CA 1.524 15 residues pruned to eliminate duplicates Z: 11 15.360 1.839 0.835 0.851 0.900 0.700 CB 1.183 11 residues pruned to eliminate duplicates Z: 16 26.654 2.105 0.796 0.893 0.933 0.733 CB 1.400 16 residues pruned to eliminate duplicates Z: 9 14.993 1.959 0.582 0.815 1.000 0.625 CB 1.301 9 residues pruned to eliminate duplicates Z: 13 32.669 2.216 1.157 0.841 1.000 0.667 CB 1.470 13 residues pruned to eliminate duplicates Z: 70 57.125 2.230 0.892 0.565 0.942 0.609 CB 1.625 70 residues pruned to eliminate duplicates Z: 14 26.480 2.026 0.948 0.878 1.000 0.846 CB 1.350 14 residues pruned to eliminate duplicates Z: 10 5.089 1.862 0.599 0.342 0.667 0.222 CB 1.014 10 residues pruned to eliminate duplicates Z: 16 33.450 2.132 0.958 0.887 1.000 0.867 CA 1.491 16 residues pruned to eliminate duplicates Z: 64 58.583 2.225 0.973 0.598 0.984 0.683 CB 1.557 64 residues pruned to eliminate duplicates Z: 65 64.562 2.239 1.113 0.617 0.953 0.688 CB 1.603 65 residues pruned to eliminate duplicates Z: 78 61.886 2.193 1.052 0.592 0.922 0.727 CB 1.556 78 residues pruned to eliminate duplicates Z: 17 28.875 1.989 1.196 0.539 1.000 0.688 CB 1.591 17 residues pruned to eliminate duplicates Z: 13 26.731 2.026 1.004 0.844 1.000 0.667 CB 1.414 13 residues pruned to eliminate duplicates Z: 13 10.914 1.841 1.135 0.329 0.667 0.417 CB 1.450 4 residues pruned to eliminate duplicates Z: 6 16.218 2.235 0.852 0.666 1.000 0.600 CA 1.504 Z: 63 54.556 2.180 0.997 0.600 0.919 0.677 CB 1.573 63 residues pruned to eliminate duplicates Z: 22 28.397 2.078 1.039 0.744 0.857 0.619 CB 1.371 22 residues pruned to eliminate duplicates Z: 15 33.733 2.182 0.988 0.931 1.000 0.786 CB 1.452 15 residues pruned to eliminate duplicates Z: 6 5.199 1.853 0.208 0.707 0.800 0.600 CB 1.075 6 residues pruned to eliminate duplicates Z: 15 30.658 2.052 0.982 0.867 1.000 0.571 CA 1.474 15 residues pruned to eliminate duplicates Z: 16 39.534 2.213 1.380 0.678 0.933 0.800 C 1.764 16 residues pruned to eliminate duplicates Z: 17 25.290 1.960 0.702 0.900 1.000 0.875 CA 1.353 17 residues pruned to eliminate duplicates Z: 18 23.131 1.990 0.847 0.488 1.000 0.824 CB 1.545 18 residues pruned to eliminate duplicates Z: 16 32.203 2.067 1.434 0.646 0.933 0.800 CB 1.546 16 residues pruned to eliminate duplicates Z: 15 21.071 2.022 0.630 0.930 1.000 0.786 CB 1.194 15 residues pruned to eliminate duplicates Z: 14 20.074 2.180 0.345 0.789 0.923 0.538 CA 1.596 14 residues pruned to eliminate duplicates Z: 15 27.508 2.076 0.877 0.928 0.929 0.786 CB 1.423 15 residues pruned to eliminate duplicates Z: 67 65.815 2.290 1.078 0.596 0.939 0.712 CB 1.653 67 residues pruned to eliminate duplicates Z: 12 16.917 1.808 0.884 0.825 0.909 0.727 CB 1.243 12 residues pruned to eliminate duplicates Z: 25 25.979 2.135 1.129 0.447 0.875 0.583 CB 1.408 72 residues pruned to eliminate duplicates Z: 66 62.234 2.242 1.051 0.594 0.938 0.677 CB 1.635 67 residues pruned to eliminate duplicates Z: 16 21.055 2.066 0.521 0.791 0.933 0.733 CA 1.436 16 residues pruned to eliminate duplicates Z: 18 26.572 2.148 0.944 0.505 1.000 0.588 CB 1.536 18 residues pruned to eliminate duplicates Z: 50 51.132 2.151 1.102 0.638 0.939 0.776 CB 1.511 50 residues pruned to eliminate duplicates Z: 62 60.282 2.205 0.992 0.629 0.967 0.721 CB 1.609 61 residues pruned to eliminate duplicates Z: 15 19.508 2.027 0.346 0.907 1.000 0.929 CB 1.358 15 residues pruned to eliminate duplicates Z: 16 23.490 1.945 0.787 0.760 0.933 0.467 CA 1.484 16 residues pruned to eliminate duplicates Z: 15 27.220 1.973 0.935 0.875 0.929 0.786 CB 1.493 15 residues pruned to eliminate duplicates Z: 16 19.691 2.073 0.350 0.809 0.933 0.667 CA 1.488 16 residues pruned to eliminate duplicates Z: 66 63.669 2.282 1.013 0.605 0.954 0.785 CB 1.630 66 residues pruned to eliminate duplicates Z: 13 24.899 2.224 0.734 0.855 0.917 0.667 CB 1.500 13 residues pruned to eliminate duplicates Z: 16 17.621 1.963 0.520 0.703 0.867 0.600 CA 1.462 16 residues pruned to eliminate duplicates Z: 8 6.451 1.840 0.353 0.773 0.714 0.714 CB 1.077 8 residues pruned to eliminate duplicates Z: 68 60.852 2.165 1.122 0.588 0.940 0.716 CB 1.582 68 residues pruned to eliminate duplicates Z: 15 25.216 2.145 0.554 0.790 1.000 0.500 CA 1.567 15 residues pruned to eliminate duplicates Z: 14 33.656 2.057 1.313 0.746 1.000 0.846 CA 1.575 Z: 16 20.529 1.992 0.602 0.743 0.933 0.667 CB 1.431 16 residues pruned to eliminate duplicates Z: 11 16.321 1.914 0.772 0.740 1.000 0.700 CB 1.228 Z: 65 69.684 2.345 1.019 0.613 0.953 0.734 CB 1.734 65 residues pruned to eliminate duplicates Z: 11 15.165 1.732 0.950 0.805 1.000 0.600 CB 1.088 11 residues pruned to eliminate duplicates Z: 11 9.810 1.600 0.395 0.820 0.900 0.800 CA 1.170 11 residues pruned to eliminate duplicates Z: 13 16.142 2.123 0.172 0.771 0.917 0.500 CB 1.607 13 residues pruned to eliminate duplicates Z: 13 20.838 2.067 0.652 0.845 0.917 0.583 CA 1.429 13 residues pruned to eliminate duplicates Z: 9 17.828 2.002 0.891 0.826 1.000 0.625 CB 1.256 10 residues pruned to eliminate duplicates Z: 6 8.893 1.811 0.273 0.767 1.000 0.200 N 1.361 6 residues pruned to eliminate duplicates Z: 24 27.553 2.023 0.817 0.829 0.870 0.522 CB 1.353 24 residues pruned to eliminate duplicates Z: 35 46.347 2.246 1.057 0.610 0.941 0.824 CB 1.647 35 residues pruned to eliminate duplicates Z: 11 8.394 1.863 0.583 0.378 0.800 0.400 CB 1.281 11 residues pruned to eliminate duplicates Z: 6 11.055 1.979 1.129 0.393 1.000 0.400 CB 1.314 Z: 6 5.325 1.790 0.465 0.417 0.800 0.600 CB 1.239 4 residues pruned to eliminate duplicates Z: 13 29.204 2.096 0.950 0.889 1.000 0.667 CB 1.485 Z: 38 37.903 2.080 1.122 0.638 0.892 0.649 CB 1.391 41 residues pruned to eliminate duplicates Z: 22 27.606 2.120 1.199 0.489 0.905 0.667 CB 1.445 22 residues pruned to eliminate duplicates Z: 15 29.434 1.928 0.916 0.869 1.000 0.786 CA 1.556 16 residues pruned to eliminate duplicates Z: 7 2.921 1.527 0.134 0.342 0.667 0.333 C 1.226 7 residues pruned to eliminate duplicates Z: 29 47.669 2.210 1.401 0.677 0.964 0.714 CB 1.495 29 residues pruned to eliminate duplicates Z: 23 26.042 1.903 1.011 0.834 0.909 0.455 CB 1.196 23 residues pruned to eliminate duplicates Z: 15 24.932 2.034 0.779 0.948 1.000 0.929 CB 1.272 15 residues pruned to eliminate duplicates Z: 14 37.285 2.201 1.134 0.941 1.000 0.923 CB 1.528 14 residues pruned to eliminate duplicates Z: 49 63.410 2.258 1.247 0.611 0.979 0.688 CB 1.659 49 residues pruned to eliminate duplicates Z: 16 17.201 1.981 0.591 0.738 0.800 0.600 CA 1.423 16 residues pruned to eliminate duplicates Z: 18 24.368 2.187 0.817 0.489 0.941 0.647 CB 1.597 17 residues pruned to eliminate duplicates Z: 15 15.678 1.825 0.323 0.729 1.000 0.643 CA 1.412 15 residues pruned to eliminate duplicates Z: 11 16.346 1.779 0.850 0.837 1.000 0.600 CB 1.175 11 residues pruned to eliminate duplicates Z: 67 66.600 2.285 1.054 0.588 0.939 0.621 CB 1.709 67 residues pruned to eliminate duplicates Z: 14 33.834 2.128 1.077 0.948 1.000 0.846 CB 1.466 14 residues pruned to eliminate duplicates Z: 9 11.756 1.917 1.007 0.785 0.875 0.625 CB 0.960 9 residues pruned to eliminate duplicates Z: 41 39.936 1.997 0.974 0.649 0.975 0.700 CB 1.429 41 residues pruned to eliminate duplicates Z: 64 59.629 2.243 0.947 0.597 0.952 0.730 CB 1.648 64 residues pruned to eliminate duplicates Z: 12 31.173 2.033 1.530 0.750 0.909 0.909 CB 1.608 12 residues pruned to eliminate duplicates Z: 13 16.013 1.919 0.324 0.878 1.000 0.583 CA 1.320 13 residues pruned to eliminate duplicates Z: 16 11.753 1.823 0.874 0.567 0.733 0.333 CB 1.136 16 residues pruned to eliminate duplicates Z: 14 29.606 2.004 0.974 0.885 1.000 0.769 CB 1.499 14 residues pruned to eliminate duplicates Z: 65 54.029 2.150 0.975 0.591 0.938 0.656 CB 1.555 65 residues pruned to eliminate duplicates Z: 10 15.999 1.773 1.015 0.874 0.889 0.444 CA 1.222 10 residues pruned to eliminate duplicates Z: 15 31.281 1.971 1.154 0.903 0.929 0.571 CB 1.512 15 residues pruned to eliminate duplicates Z: 63 57.844 2.222 1.072 0.584 0.935 0.694 CB 1.572 63 residues pruned to eliminate duplicates Z: 16 21.495 1.956 0.669 0.896 1.000 0.800 CB 1.218 16 residues pruned to eliminate duplicates Z: 12 8.286 1.762 0.960 0.301 0.818 0.364 CB 1.104 10 residues pruned to eliminate duplicates Z: 12 16.541 2.005 0.364 0.848 0.909 0.545 CB 1.489 12 residues pruned to eliminate duplicates Z: 14 31.835 2.184 0.983 0.940 1.000 0.846 CB 1.415 14 residues pruned to eliminate duplicates Z: 15 31.437 1.980 1.222 0.855 1.000 0.786 CB 1.409 15 residues pruned to eliminate duplicates Z: 13 25.133 2.115 1.007 0.862 0.833 0.750 CB 1.505 13 residues pruned to eliminate duplicates Z: 16 30.529 2.031 1.018 0.953 1.000 0.933 CB 1.323 16 residues pruned to eliminate duplicates Z: 13 32.771 2.037 1.306 0.897 1.000 0.833 CA 1.442 13 residues pruned to eliminate duplicates Z: 11 14.555 2.117 0.125 0.884 0.900 0.800 CA 1.553 11 residues pruned to eliminate duplicates Z: 16 7.313 1.598 0.135 0.429 0.933 0.600 CB 1.200 Z: 18 29.346 2.148 1.076 0.516 1.000 0.824 CB 1.571 18 residues pruned to eliminate duplicates Z: 22 29.434 2.003 1.181 0.801 0.857 0.524 CB 1.318 22 residues pruned to eliminate duplicates Z: 7 6.632 1.818 -0.187 0.705 1.000 0.833 O 1.520 7 residues pruned to eliminate duplicates Z: 6 5.209 1.860 0.473 0.318 1.000 0.600 CB 1.039 6 residues pruned to eliminate duplicates Z: 7 8.103 1.542 0.813 0.460 1.000 0.833 N 1.233 Z: 6 3.181 1.655 0.002 0.554 0.800 0.800 C 1.017 Z: 15 16.886 2.062 0.887 0.444 0.857 0.643 CB 1.433 15 residues pruned to eliminate duplicates Z: 15 17.485 1.884 0.538 0.733 0.929 0.643 CB 1.407 15 residues pruned to eliminate duplicates Z: 8 12.802 1.995 0.638 0.775 1.000 0.714 CB 1.161 8 residues pruned to eliminate duplicates Z: 28 29.487 2.050 1.103 0.640 0.852 0.556 CB 1.356 28 residues pruned to eliminate duplicates Z: 12 12.223 1.877 0.242 0.879 1.000 0.818 CB 1.147 12 residues pruned to eliminate duplicates Z: 66 61.835 2.273 0.991 0.583 0.938 0.708 CB 1.668 66 residues pruned to eliminate duplicates Z: 22 32.661 2.067 1.018 0.838 0.905 0.714 CB 1.411 22 residues pruned to eliminate duplicates Z: 15 30.010 2.070 1.038 0.909 1.000 0.786 CB 1.348 15 residues pruned to eliminate duplicates Z: 14 22.014 1.998 0.631 0.848 0.923 0.846 CA 1.505 14 residues pruned to eliminate duplicates Z: 14 20.738 2.224 0.488 0.763 0.846 0.692 CA 1.627 14 residues pruned to eliminate duplicates Z: 10 19.473 1.977 0.813 0.857 1.000 0.444 CB 1.334 10 residues pruned to eliminate duplicates Z: 63 64.302 2.303 1.021 0.564 0.968 0.677 CB 1.704 63 residues pruned to eliminate duplicates Z: 15 17.980 2.055 0.591 0.821 0.786 0.643 CB 1.415 15 residues pruned to eliminate duplicates Z: 11 15.460 1.908 0.590 0.852 0.900 0.400 CB 1.325 11 residues pruned to eliminate duplicates Z: 8 3.296 1.480 0.105 0.424 0.857 0.714 O 0.962 Z: 11 11.924 1.862 0.907 0.789 0.800 0.300 CB 1.030 11 residues pruned to eliminate duplicates Z: 16 25.706 2.176 0.904 0.708 0.867 0.600 CB 1.530 16 residues pruned to eliminate duplicates Z: 6 7.255 1.795 0.029 0.604 1.000 0.600 C 1.591 Z: 15 21.476 2.068 0.795 0.755 0.857 0.714 CA 1.438 15 residues pruned to eliminate duplicates Z: 62 55.781 2.166 0.941 0.623 0.967 0.689 CB 1.564 62 residues pruned to eliminate duplicates Z: 66 59.866 2.203 1.054 0.588 0.954 0.723 CB 1.581 66 residues pruned to eliminate duplicates Z: 21 22.595 1.945 0.973 0.572 0.900 0.350 CB 1.365 21 residues pruned to eliminate duplicates Z: 9 13.625 1.839 0.985 0.849 0.875 0.500 CB 1.118 9 residues pruned to eliminate duplicates Z: 58 59.864 2.225 1.055 0.663 0.947 0.702 CB 1.575 58 residues pruned to eliminate duplicates Z: 66 55.706 2.224 0.869 0.570 0.954 0.677 CB 1.629 66 residues pruned to eliminate duplicates Z: 12 22.660 2.050 0.961 0.677 0.909 0.818 CA 1.588 12 residues pruned to eliminate duplicates Z: 67 57.154 2.240 0.921 0.582 0.939 0.742 CB 1.609 74 residues pruned to eliminate duplicates Z: 12 14.752 1.784 0.787 0.781 1.000 0.545 CB 1.088 12 residues pruned to eliminate duplicates Z: 14 34.353 2.127 1.555 0.747 0.923 0.846 CA 1.523 13 residues pruned to eliminate duplicates Z: 36 49.066 2.215 1.254 0.727 0.886 0.629 CB 1.528 35 residues pruned to eliminate duplicates Z: 30 30.559 2.077 0.831 0.666 0.897 0.586 CB 1.428 20 residues pruned to eliminate duplicates Z: 15 26.795 2.061 0.801 0.919 1.000 0.714 CB 1.359 15 residues pruned to eliminate duplicates Z: 19 30.360 2.193 0.943 0.524 1.000 0.667 CB 1.640 19 residues pruned to eliminate duplicates Z: 11 22.631 1.886 1.145 0.865 0.900 0.800 CB 1.439 12 residues pruned to eliminate duplicates Z: 15 11.918 1.913 0.448 0.503 0.929 0.500 CB 1.234 15 residues pruned to eliminate duplicates Z: 28 40.486 2.160 1.215 0.754 0.889 0.630 CB 1.461 28 residues pruned to eliminate duplicates Z: 16 27.903 2.019 1.005 0.919 1.000 0.667 CB 1.254 16 residues pruned to eliminate duplicates Z: 17 20.171 1.906 0.546 0.774 0.938 0.562 CB 1.433 17 residues pruned to eliminate duplicates Z: 14 19.987 2.061 1.061 0.502 0.846 0.692 CA 1.540 14 residues pruned to eliminate duplicates Z: 13 20.615 2.008 0.539 0.864 0.917 0.750 CA 1.541 13 residues pruned to eliminate duplicates Z: 6 3.321 1.659 -0.077 0.537 0.800 0.400 CB 1.169 Z: 43 47.842 2.176 0.969 0.682 0.929 0.667 CB 1.569 43 residues pruned to eliminate duplicates Z: 11 24.652 2.031 0.746 0.863 1.000 0.700 CA 1.613 11 residues pruned to eliminate duplicates Z: 14 27.608 2.071 1.097 0.921 0.923 0.846 CB 1.343 14 residues pruned to eliminate duplicates Z: 6 8.718 2.008 0.393 0.740 1.000 0.800 N 1.124 Z: 9 14.789 2.065 0.553 0.845 0.875 0.625 CB 1.385 9 residues pruned to eliminate duplicates Z: 9 12.499 2.016 0.269 0.840 1.000 0.750 CB 1.290 9 residues pruned to eliminate duplicates Z: 15 30.241 1.989 0.975 0.880 1.000 0.857 CB 1.491 15 residues pruned to eliminate duplicates Z: 15 22.064 2.132 0.474 0.899 1.000 0.857 CB 1.341 15 residues pruned to eliminate duplicates Z: 14 31.053 2.100 1.163 0.951 1.000 0.846 CB 1.307 14 residues pruned to eliminate duplicates Z: 18 10.214 1.998 0.909 0.269 0.706 0.529 CB 1.196 18 residues pruned to eliminate duplicates Z: 6 6.501 1.509 0.535 0.819 1.000 0.800 CA 0.952 Z: 15 11.944 2.029 0.325 0.796 0.714 0.500 CB 1.283 15 residues pruned to eliminate duplicates Z: 61 68.721 2.317 1.092 0.621 0.967 0.683 CB 1.690 61 residues pruned to eliminate duplicates Z: 65 68.088 2.288 1.129 0.629 0.969 0.766 CB 1.598 65 residues pruned to eliminate duplicates Z: 59 60.697 2.196 1.082 0.640 0.983 0.759 CB 1.555 59 residues pruned to eliminate duplicates Z: 60 59.073 2.223 1.038 0.609 0.949 0.627 CB 1.613 60 residues pruned to eliminate duplicates Z: 13 25.875 2.102 0.907 0.898 0.917 0.917 CA 1.455 13 residues pruned to eliminate duplicates Z: 13 34.803 2.178 1.757 0.791 0.833 0.750 CB 1.555 7 residues pruned to eliminate duplicates Z: 7 5.581 1.954 -0.269 0.682 0.833 0.500 O 1.619 Z: 41 42.548 2.125 1.284 0.619 0.850 0.700 CB 1.457 40 residues pruned to eliminate duplicates Z: 8 5.562 1.684 0.858 0.299 0.857 0.571 CB 0.981 8 residues pruned to eliminate duplicates Z: 59 60.017 2.188 1.109 0.665 0.931 0.741 CB 1.575 59 residues pruned to eliminate duplicates Z: 15 31.197 1.925 1.078 0.912 1.000 0.857 CB 1.476 14 residues pruned to eliminate duplicates Z: 17 27.076 1.921 1.065 0.858 0.938 0.750 CA 1.341 17 residues pruned to eliminate duplicates Z: 16 18.486 1.916 0.530 0.911 0.933 0.867 CA 1.236 16 residues pruned to eliminate duplicates Z: 11 13.752 2.014 0.605 0.815 0.800 0.600 CB 1.279 11 residues pruned to eliminate duplicates Z: 36 30.091 2.090 0.780 0.606 0.886 0.571 CB 1.396 27 residues pruned to eliminate duplicates Z: 14 27.828 2.217 0.678 0.812 0.923 0.538 CB 1.714 14 residues pruned to eliminate duplicates Z: 15 28.681 2.034 1.086 0.956 1.000 0.929 CB 1.241 15 residues pruned to eliminate duplicates Z: 15 31.197 2.079 1.056 0.933 1.000 0.786 CB 1.361 15 residues pruned to eliminate duplicates Z: 12 31.130 2.095 1.088 0.919 1.000 1.000 CB 1.512 12 residues pruned to eliminate duplicates Z: 20 20.823 1.903 0.917 0.589 0.947 0.684 CB 1.269 20 residues pruned to eliminate duplicates Z: 18 27.595 1.855 1.179 0.860 0.941 0.471 CA 1.293 18 residues pruned to eliminate duplicates Z: 16 22.346 2.016 0.438 0.914 1.000 0.867 CA 1.408 16 residues pruned to eliminate duplicates Z: 7 2.767 1.669 0.208 0.508 0.667 0.333 N 0.834 7 residues pruned to eliminate duplicates Z: 19 28.111 1.992 1.048 0.563 1.000 0.778 CB 1.528 19 residues pruned to eliminate duplicates Z: 14 15.130 1.895 0.696 0.714 0.923 0.692 CB 1.165 14 residues pruned to eliminate duplicates Z: 18 28.079 2.181 0.765 0.549 1.000 0.647 CB 1.687 18 residues pruned to eliminate duplicates Z: 8 3.365 1.507 0.453 0.285 0.714 0.429 O 1.036 Z: 17 27.093 1.908 0.928 0.920 1.000 1.000 CB 1.297 17 residues pruned to eliminate duplicates Z: 56 67.721 2.287 1.097 0.689 0.982 0.818 CB 1.631 56 residues pruned to eliminate duplicates Z: 12 11.507 1.771 0.242 0.801 1.000 0.818 CB 1.213 12 residues pruned to eliminate duplicates Z: 37 43.419 2.150 1.189 0.666 0.917 0.694 CB 1.438 36 residues pruned to eliminate duplicates Z: 15 29.761 2.066 0.906 0.938 1.000 0.857 CB 1.404 15 residues pruned to eliminate duplicates Z: 50 60.610 2.235 1.063 0.715 1.000 0.796 CB 1.545 50 residues pruned to eliminate duplicates Z: 16 20.452 2.032 0.564 0.793 0.933 0.533 CA 1.377 16 residues pruned to eliminate duplicates Z: 29 48.468 2.274 1.124 0.719 0.964 0.893 CB 1.613 29 residues pruned to eliminate duplicates Z: 34 37.664 2.115 0.971 0.572 0.970 0.727 CB 1.514 34 residues pruned to eliminate duplicates Z: 9 11.533 1.952 0.369 0.825 0.875 0.750 CB 1.316 9 residues pruned to eliminate duplicates Z: 16 32.785 1.994 1.201 0.937 1.000 0.600 CB 1.343 16 residues pruned to eliminate duplicates Z: 7 5.330 1.784 -0.298 0.615 1.000 0.500 CB 1.559 6 residues pruned to eliminate duplicates Z: 9 5.815 1.705 0.064 0.477 0.875 0.500 O 1.326 7 residues pruned to eliminate duplicates Z: 17 23.606 2.074 0.553 0.857 1.000 0.812 CA 1.350 17 residues pruned to eliminate duplicates Z: 50 46.534 2.125 0.885 0.640 0.980 0.673 CB 1.486 50 residues pruned to eliminate duplicates Z: 6 5.949 1.712 -0.017 0.866 1.000 0.800 CB 1.157 Z: 65 54.735 2.151 0.911 0.601 0.938 0.688 CB 1.613 65 residues pruned to eliminate duplicates Z: 16 22.418 2.001 0.595 0.924 1.000 0.933 CB 1.274 16 residues pruned to eliminate duplicates Z: 54 49.028 2.202 0.777 0.637 0.906 0.755 CB 1.672 54 residues pruned to eliminate duplicates Z: 66 61.151 2.287 1.009 0.583 0.908 0.662 CB 1.680 66 residues pruned to eliminate duplicates Z: 62 60.595 2.234 0.934 0.601 0.984 0.689 CB 1.658 62 residues pruned to eliminate duplicates Z: 14 17.869 2.084 0.384 0.871 0.923 0.923 CB 1.358 14 residues pruned to eliminate duplicates Z: 6 7.963 1.817 0.665 0.628 1.000 0.600 CA 1.044 6 residues pruned to eliminate duplicates Z: 44 53.146 2.137 1.126 0.669 0.977 0.791 CB 1.562 44 residues pruned to eliminate duplicates Z: 12 22.878 2.130 1.239 0.672 0.909 0.818 CB 1.357 12 residues pruned to eliminate duplicates Z: 57 57.194 2.167 1.013 0.660 0.964 0.768 CB 1.567 57 residues pruned to eliminate duplicates Z: 56 60.932 2.215 1.032 0.660 0.982 0.745 CB 1.603 56 residues pruned to eliminate duplicates Z: 16 17.224 1.939 0.474 0.753 0.867 0.600 CB 1.432 16 residues pruned to eliminate duplicates Z: 7 4.885 1.902 -0.244 0.744 0.667 0.167 O 1.672 6 residues pruned to eliminate duplicates Z: 10 10.188 2.041 0.534 0.331 0.889 0.556 CB 1.468 10 residues pruned to eliminate duplicates Z: 44 41.047 2.064 1.137 0.610 0.884 0.605 CB 1.446 44 residues pruned to eliminate duplicates Z: 12 7.935 1.867 0.323 0.389 0.818 0.636 CB 1.332 12 residues pruned to eliminate duplicates Z: 25 18.795 1.761 0.940 0.394 0.917 0.625 CB 1.371 25 residues pruned to eliminate duplicates Z: 11 12.038 1.988 0.375 0.418 1.000 0.700 CB 1.517 11 residues pruned to eliminate duplicates Z: 67 63.188 2.278 1.022 0.590 0.955 0.742 CB 1.622 67 residues pruned to eliminate duplicates Z: 11 5.287 1.605 -0.002 0.440 0.900 0.500 CB 1.234 Z: 6 8.751 1.839 0.635 0.521 1.000 0.600 CB 1.275 6 residues pruned to eliminate duplicates Z: 15 26.689 2.035 1.178 0.859 0.857 0.714 CB 1.381 15 residues pruned to eliminate duplicates Z: 10 15.044 1.829 0.608 0.879 1.000 0.889 CB 1.236 10 residues pruned to eliminate duplicates Z: 6 4.698 1.572 0.508 0.669 1.000 0.800 N 0.758 Z: 16 19.959 2.033 0.579 0.769 0.933 0.667 CB 1.355 16 residues pruned to eliminate duplicates Z: 35 49.243 2.237 1.386 0.609 0.912 0.765 CB 1.564 35 residues pruned to eliminate duplicates Z: 15 23.380 2.116 0.537 0.920 1.000 0.786 CB 1.353 15 residues pruned to eliminate duplicates Z: 8 7.855 1.750 0.935 0.656 1.000 0.714 N 0.758 Z: 42 46.065 2.175 1.208 0.682 0.878 0.610 CB 1.443 42 residues pruned to eliminate duplicates Z: 34 25.986 1.979 1.102 0.507 0.848 0.576 CB 1.273 34 residues pruned to eliminate duplicates Z: 13 21.335 2.268 0.700 0.648 0.833 0.583 CA 1.670 13 residues pruned to eliminate duplicates Z: 6 2.794 1.131 0.368 0.706 0.800 0.800 CB 0.837 Z: 11 6.113 1.640 0.422 0.348 0.900 0.500 CA 1.086 12 residues pruned to eliminate duplicates Z: 7 7.996 1.713 1.026 0.412 0.833 0.667 CB 1.238 7 residues pruned to eliminate duplicates Z: 42 53.550 2.193 1.021 0.699 1.000 0.780 CB 1.574 42 residues pruned to eliminate duplicates Z: 10 17.064 1.818 0.657 0.892 1.000 1.000 CB 1.356 10 residues pruned to eliminate duplicates Z: 66 61.323 2.285 0.981 0.587 0.954 0.723 CB 1.620 66 residues pruned to eliminate duplicates Z: 6 4.694 1.518 -0.026 0.607 1.000 0.800 CB 1.283 Z: 43 41.733 2.157 0.653 0.663 1.000 0.762 CB 1.552 43 residues pruned to eliminate duplicates Z: 24 37.449 1.956 1.066 0.869 0.957 0.609 CB 1.476 24 residues pruned to eliminate duplicates Z: 8 4.312 1.609 0.554 0.262 0.714 0.286 C 1.197 Z: 23 16.564 1.859 0.998 0.474 0.864 0.318 CB 1.130 23 residues pruned to eliminate duplicates Z: 61 60.188 2.207 1.075 0.642 0.933 0.850 CB 1.592 61 residues pruned to eliminate duplicates Z: 70 51.256 2.173 0.865 0.550 0.928 0.681 CB 1.563 70 residues pruned to eliminate duplicates Z: 60 63.407 2.231 0.992 0.656 0.966 0.780 CB 1.663 61 residues pruned to eliminate duplicates Z: 15 16.195 2.036 0.398 0.713 0.929 0.500 CB 1.350 15 residues pruned to eliminate duplicates Z: 23 28.910 1.956 0.975 0.820 0.909 0.455 CB 1.329 21 residues pruned to eliminate duplicates Z: 58 69.195 2.299 1.135 0.649 0.947 0.719 CB 1.714 58 residues pruned to eliminate duplicates Z: 39 53.483 2.214 0.955 0.706 1.000 0.842 CB 1.662 39 residues pruned to eliminate duplicates Z: 32 52.094 2.271 1.385 0.620 0.968 0.742 CA 1.594 32 residues pruned to eliminate duplicates Z: 10 21.568 2.243 0.396 0.811 1.000 0.556 CA 1.752 10 residues pruned to eliminate duplicates Z: 13 30.699 2.078 1.361 0.732 0.917 0.667 CB 1.601 13 residues pruned to eliminate duplicates Z: 59 59.320 2.205 0.901 0.635 0.983 0.793 CB 1.666 59 residues pruned to eliminate duplicates Z: 6 5.658 1.761 -0.122 0.627 1.000 0.400 N 1.452 Z: 65 55.103 2.192 0.910 0.580 0.953 0.766 CB 1.599 65 residues pruned to eliminate duplicates Z: 47 47.922 2.122 1.018 0.646 0.935 0.717 CB 1.541 47 residues pruned to eliminate duplicates Z: 62 62.134 2.212 1.128 0.614 0.951 0.705 CB 1.597 62 residues pruned to eliminate duplicates Z: 6 4.963 1.631 -0.207 0.874 1.000 1.000 CB 1.249 5 residues pruned to eliminate duplicates Z: 67 63.418 2.270 1.088 0.579 0.939 0.697 CB 1.625 67 residues pruned to eliminate duplicates Z: 6 2.954 1.257 0.495 0.790 1.000 0.600 CA 0.545 Z: 15 28.154 2.040 1.043 0.941 1.000 0.714 CB 1.253 15 residues pruned to eliminate duplicates Z: 17 25.229 2.112 0.669 0.772 0.938 0.562 CA 1.500 17 residues pruned to eliminate duplicates Z: 12 23.009 1.951 1.360 0.663 0.909 0.818 CA 1.425 12 residues pruned to eliminate duplicates Z: 74 60.340 2.170 0.975 0.643 0.945 0.685 CB 1.526 74 residues pruned to eliminate duplicates Z: 6 3.884 1.569 -0.304 0.863 1.000 0.800 CB 1.166 6 residues pruned to eliminate duplicates Z: 57 53.150 2.184 0.891 0.625 0.982 0.768 CB 1.557 57 residues pruned to eliminate duplicates Z: 16 30.234 1.983 1.090 0.941 1.000 0.467 CA 1.308 16 residues pruned to eliminate duplicates Z: 15 14.051 2.008 0.982 0.384 0.714 0.571 CB 1.494 15 residues pruned to eliminate duplicates Z: 24 34.405 2.006 1.077 0.801 0.957 0.435 CB 1.383 26 residues pruned to eliminate duplicates Z: 14 20.793 1.930 1.107 0.670 0.923 0.769 CB 1.314 14 residues pruned to eliminate duplicates Z: 26 34.288 1.947 1.085 0.823 0.880 0.560 CB 1.450 26 residues pruned to eliminate duplicates Z: 7 4.606 1.549 1.005 0.300 0.667 0.500 CA 1.135 7 residues pruned to eliminate duplicates Z: 8 8.056 1.802 0.949 0.634 0.857 0.714 CB 0.892 Z: 14 27.215 1.997 1.100 0.819 0.923 0.846 CB 1.478 14 residues pruned to eliminate duplicates Z: 67 60.437 2.201 1.040 0.588 0.939 0.712 CB 1.621 67 residues pruned to eliminate duplicates Z: 36 35.591 2.132 1.031 0.532 0.886 0.657 CB 1.520 36 residues pruned to eliminate duplicates Z: 16 26.793 2.000 1.243 0.851 1.000 0.867 CB 1.141 16 residues pruned to eliminate duplicates Z: 6 4.184 1.714 -0.274 0.802 1.000 0.800 CB 1.156 Z: 12 14.273 1.841 0.546 0.808 0.909 0.727 CB 1.272 11 residues pruned to eliminate duplicates Z: 15 32.198 2.084 1.020 0.940 1.000 0.643 CB 1.419 15 residues pruned to eliminate duplicates Z: 24 35.060 2.045 1.048 0.762 0.957 0.609 CB 1.446 24 residues pruned to eliminate duplicates Z: 11 8.164 1.683 -0.014 0.700 1.000 0.800 CB 1.297 6 residues pruned to eliminate duplicates Z: 9 4.659 1.500 0.290 0.469 0.875 0.625 CB 1.004 9 residues pruned to eliminate duplicates Z: 31 40.805 2.253 0.991 0.521 0.933 0.600 CA 1.743 31 residues pruned to eliminate duplicates Z: 22 16.697 1.957 0.615 0.508 0.762 0.429 CB 1.501 22 residues pruned to eliminate duplicates Z: 14 29.012 1.970 1.154 0.854 1.000 0.692 CA 1.400 14 residues pruned to eliminate duplicates Z: 17 24.145 2.100 0.849 0.502 0.938 0.562 CB 1.655 17 residues pruned to eliminate duplicates Z: 6 3.916 1.514 0.503 0.284 1.000 0.800 CB 0.981 Z: 57 49.146 2.141 0.916 0.608 0.946 0.714 CB 1.527 57 residues pruned to eliminate duplicates Z: 10 44.201 2.312 1.729 0.835 1.000 1.000 CB 1.749 12 residues pruned to eliminate duplicates Z: 7 9.341 1.815 0.344 0.812 1.000 0.667 CA 1.191 7 residues pruned to eliminate duplicates Z: 53 50.781 2.214 1.009 0.580 0.923 0.769 CB 1.588 53 residues pruned to eliminate duplicates Z: 6 12.069 1.615 1.573 0.660 1.000 0.800 N 1.120 Z: 16 24.445 1.971 0.866 0.923 1.000 0.733 CB 1.206 16 residues pruned to eliminate duplicates Z: 16 22.495 1.986 0.790 0.776 0.933 0.800 CA 1.371 16 residues pruned to eliminate duplicates Z: 14 22.822 1.958 1.126 0.726 0.923 0.692 CB 1.344 14 residues pruned to eliminate duplicates Z: 9 7.595 1.609 0.261 0.638 0.875 0.375 N 1.329 Z: 8 3.977 1.538 0.150 0.427 1.000 0.714 N 0.917 8 residues pruned to eliminate duplicates Z: 10 5.689 1.856 0.406 0.265 0.667 0.444 CB 1.425 10 residues pruned to eliminate duplicates Z: 7 12.452 1.849 0.942 0.825 1.000 1.000 N 1.068 5 residues pruned to eliminate duplicates Z: 15 33.570 1.953 1.191 0.864 1.000 0.786 CB 1.538 15 residues pruned to eliminate duplicates Z: 14 16.300 1.928 0.786 0.468 0.923 0.692 CA 1.470 14 residues pruned to eliminate duplicates Z: 12 17.729 2.030 0.764 0.823 0.818 0.727 CB 1.379 12 residues pruned to eliminate duplicates Z: 14 22.183 2.069 0.578 0.903 1.000 0.615 CB 1.342 14 residues pruned to eliminate duplicates Z: 23 26.387 2.026 1.014 0.773 0.818 0.591 CB 1.324 23 residues pruned to eliminate duplicates Z: 47 59.536 2.227 1.246 0.629 0.957 0.696 CB 1.625 47 residues pruned to eliminate duplicates Z: 7 2.276 1.553 -0.078 0.437 0.833 0.500 CB 0.831 6 residues pruned to eliminate duplicates Z: 38 48.295 2.165 1.124 0.664 0.973 0.838 CB 1.525 38 residues pruned to eliminate duplicates Z: 49 42.379 2.097 0.781 0.607 0.958 0.708 CB 1.544 49 residues pruned to eliminate duplicates Z: 26 35.863 2.270 0.975 0.519 0.920 0.720 CB 1.706 26 residues pruned to eliminate duplicates Z: 34 34.576 2.192 0.872 0.499 0.879 0.667 CB 1.672 34 residues pruned to eliminate duplicates Z: 46 45.956 2.114 0.860 0.688 0.933 0.733 CB 1.571 46 residues pruned to eliminate duplicates Z: 12 5.992 1.467 0.360 0.484 0.818 0.455 CB 1.125 6 residues pruned to eliminate duplicates Z: 36 46.135 2.184 1.210 0.722 0.857 0.600 CB 1.541 36 residues pruned to eliminate duplicates Z: 15 16.141 1.986 0.375 0.830 0.857 0.643 CB 1.386 15 residues pruned to eliminate duplicates Z: 15 9.650 1.746 0.520 0.343 0.857 0.571 CB 1.345 15 residues pruned to eliminate duplicates Z: 9 5.626 1.633 1.189 0.818 1.000 1.000 CB 0.422 Z: 6 6.988 1.528 0.537 0.575 1.000 0.600 N 1.237 6 residues pruned to eliminate duplicates Z: 40 46.985 2.137 1.022 0.726 0.949 0.769 CB 1.497 40 residues pruned to eliminate duplicates Z: 22 28.041 2.063 1.122 0.672 0.857 0.429 CB 1.391 22 residues pruned to eliminate duplicates Z: 11 19.113 1.836 0.811 0.861 1.000 0.700 CA 1.336 11 residues pruned to eliminate duplicates Z: 6 2.031 1.351 0.142 0.481 0.800 0.400 C 0.750 6 residues pruned to eliminate duplicates Z: 6 2.069 1.596 0.079 0.328 0.800 0.600 CA 0.811 Z: 8 8.866 1.911 0.627 0.685 1.000 0.571 CB 0.909 8 residues pruned to eliminate duplicates Z: 9 4.381 1.473 0.850 0.345 0.625 0.375 CB 1.076 Z: 12 13.878 1.879 0.738 0.596 0.909 0.636 CB 1.286 12 residues pruned to eliminate duplicates Z: 7 6.714 1.900 0.549 0.819 1.000 1.000 CB 0.706 Z: 13 14.490 1.790 0.434 0.866 1.000 0.500 CA 1.193 13 residues pruned to eliminate duplicates Z: 27 26.629 2.198 0.832 0.461 0.885 0.731 CB 1.526 27 residues pruned to eliminate duplicates Z: 10 16.614 1.906 0.538 0.848 1.000 0.556 CA 1.402 10 residues pruned to eliminate duplicates Z: 34 50.411 2.217 1.308 0.628 0.970 0.758 CA 1.569 34 residues pruned to eliminate duplicates Z: 7 3.022 1.544 0.049 0.270 0.833 0.667 CA 1.186 Z: 23 25.681 2.070 0.818 0.511 0.955 0.636 CB 1.508 23 residues pruned to eliminate duplicates Z: 59 64.298 2.302 0.970 0.632 0.983 0.776 CB 1.674 59 residues pruned to eliminate duplicates Z: 17 12.233 1.956 1.027 0.221 0.812 0.438 CB 1.317 17 residues pruned to eliminate duplicates Z: 40 48.519 2.177 1.011 0.656 0.974 0.744 CB 1.575 40 residues pruned to eliminate duplicates Z: 68 58.797 2.178 1.138 0.587 0.910 0.701 CB 1.559 68 residues pruned to eliminate duplicates Z: 27 35.118 2.262 0.880 0.481 0.962 0.731 CB 1.718 27 residues pruned to eliminate duplicates Z: 23 17.922 1.944 0.810 0.448 0.818 0.636 CB 1.400 23 residues pruned to eliminate duplicates Z: 7 7.796 2.045 0.912 0.433 0.833 0.333 CB 1.047 7 residues pruned to eliminate duplicates Z: 25 24.557 2.120 1.187 0.405 0.833 0.625 CB 1.434 25 residues pruned to eliminate duplicates Z: 16 21.114 2.098 0.721 0.596 0.933 0.600 CA 1.476 16 residues pruned to eliminate duplicates Z: 18 27.126 2.129 0.760 0.560 1.000 0.765 CB 1.657 18 residues pruned to eliminate duplicates Z: 9 10.105 1.718 0.962 0.503 0.750 0.625 CB 1.409 8 residues pruned to eliminate duplicates Z: 19 19.656 1.964 0.790 0.573 0.833 0.333 CB 1.474 19 residues pruned to eliminate duplicates Z: 21 24.330 2.161 0.979 0.470 1.000 0.500 CB 1.312 21 residues pruned to eliminate duplicates Z: 14 33.001 2.074 1.281 0.933 1.000 0.692 CB 1.350 14 residues pruned to eliminate duplicates Z: 23 28.102 1.949 0.923 0.827 0.909 0.773 CB 1.325 23 residues pruned to eliminate duplicates Z: 48 42.464 2.126 0.720 0.647 0.979 0.723 CB 1.508 48 residues pruned to eliminate duplicates Z: 16 12.820 1.869 0.908 0.355 0.800 0.467 CB 1.357 16 residues pruned to eliminate duplicates Z: 6 6.967 1.674 0.448 0.636 1.000 0.400 CB 1.131 492 residues left after pruning, divided into chains as follows: A: 11 B: 15 C: 87 D: 116 E: 9 F: 35 G: 34 H: 18 I: 167 CC for partial structure against native data = 41.48 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.443, Connect. = 0.726 for dens.mod. cycle 1 = 0.300, Contrast = 0.518, Connect. = 0.757 for dens.mod. cycle 2 = 0.300, Contrast = 0.614, Connect. = 0.786 for dens.mod. cycle 3 = 0.300, Contrast = 0.622, Connect. = 0.789 for dens.mod. cycle 4 = 0.300, Contrast = 0.632, Connect. = 0.792 for dens.mod. cycle 5 = 0.300, Contrast = 0.634, Connect. = 0.794 for dens.mod. cycle 6 = 0.300, Contrast = 0.638, Connect. = 0.796 for dens.mod. cycle 7 = 0.300, Contrast = 0.638, Connect. = 0.796 for dens.mod. cycle 8 = 0.300, Contrast = 0.639, Connect. = 0.797 for dens.mod. cycle 9 = 0.300, Contrast = 0.638, Connect. = 0.797 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4115 peaks > 0.5 sigma used to seed fragment search Space for about 746 unique residues taking solvent into account 863 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 39 53.067 2.335 0.932 0.675 0.921 0.737 CB 1.764 B: 105 73.766 2.224 0.963 0.621 0.942 0.644 CB 1.569 C: 66 62.109 2.258 0.893 0.591 0.969 0.738 CB 1.705 D: 16 19.061 2.045 0.594 0.741 0.800 0.467 CA 1.522 E: 56 72.709 2.383 0.964 0.667 1.000 0.745 CB 1.796 16 residues pruned to eliminate duplicates F: 61 60.232 2.260 0.968 0.588 0.933 0.717 CB 1.722 61 residues pruned to eliminate duplicates G: 63 58.985 2.256 0.852 0.597 0.952 0.694 CA 1.719 63 residues pruned to eliminate duplicates H: 28 47.063 2.312 1.127 0.595 0.963 0.704 CB 1.746 I: 12 27.141 2.097 1.545 0.654 0.909 0.909 CB 1.461 12 residues pruned to eliminate duplicates J: 37 34.607 2.159 0.948 0.573 0.778 0.528 CB 1.643 37 residues pruned to eliminate duplicates K: 64 60.438 2.241 0.865 0.605 0.968 0.683 CB 1.702 64 residues pruned to eliminate duplicates L: 22 22.709 1.941 0.974 0.457 0.952 0.619 CA 1.419 M: 36 52.268 2.185 1.131 0.687 0.971 0.514 CA 1.645 28 residues pruned to eliminate duplicates N: 16 20.124 2.081 0.639 0.794 0.800 0.667 CA 1.471 16 residues pruned to eliminate duplicates O: 17 25.618 2.139 0.910 0.780 0.812 0.438 CA 1.507 17 residues pruned to eliminate duplicates P: 15 35.318 2.413 0.779 0.801 0.929 0.643 CA 1.821 15 residues pruned to eliminate duplicates Q: 59 58.708 2.270 0.872 0.631 0.966 0.690 CB 1.662 60 residues pruned to eliminate duplicates R: 57 58.170 2.240 0.933 0.644 0.982 0.696 CB 1.597 57 residues pruned to eliminate duplicates S: 61 70.718 2.371 1.077 0.609 0.950 0.783 CB 1.760 42 residues pruned to eliminate duplicates T: 57 56.407 2.253 0.804 0.657 0.964 0.732 CB 1.663 57 residues pruned to eliminate duplicates U: 63 53.217 2.225 0.729 0.599 0.968 0.694 CB 1.652 63 residues pruned to eliminate duplicates V: 63 72.082 2.394 1.009 0.602 0.984 0.726 CB 1.755 56 residues pruned to eliminate duplicates W: 60 61.811 2.348 0.882 0.596 0.966 0.695 CB 1.719 60 residues pruned to eliminate duplicates X: 61 58.767 2.266 0.859 0.614 0.967 0.717 CB 1.672 61 residues pruned to eliminate duplicates Y: 18 30.500 2.101 1.311 0.599 0.882 0.706 CB 1.571 19 residues pruned to eliminate duplicates Z: 63 56.721 2.227 0.920 0.596 0.968 0.806 CB 1.589 Z: 14 37.374 2.143 1.248 0.869 1.000 0.769 CB 1.572 Z: 27 46.743 2.186 1.210 0.746 0.923 0.654 CB 1.650 26 residues pruned to eliminate duplicates Z: 37 44.614 2.191 1.074 0.668 0.889 0.583 CB 1.576 35 residues pruned to eliminate duplicates Z: 125 88.613 2.285 1.002 0.589 0.952 0.637 CB 1.679 129 residues pruned to eliminate duplicates Z: 70 65.852 2.299 1.027 0.557 0.942 0.696 CB 1.708 70 residues pruned to eliminate duplicates Z: 15 32.458 2.070 0.830 0.883 1.000 1.000 CB 1.655 15 residues pruned to eliminate duplicates Z: 65 67.157 2.330 1.012 0.590 0.953 0.719 CB 1.723 65 residues pruned to eliminate duplicates Z: 14 29.051 2.075 0.890 0.839 1.000 0.615 CB 1.533 Z: 28 47.238 2.327 1.460 0.578 0.852 0.630 CB 1.729 28 residues pruned to eliminate duplicates Z: 14 29.777 2.068 0.883 0.893 1.000 0.846 CB 1.522 14 residues pruned to eliminate duplicates Z: 15 24.460 2.132 0.527 0.900 0.929 0.786 CA 1.544 15 residues pruned to eliminate duplicates Z: 50 47.127 2.194 0.879 0.538 0.939 0.633 CB 1.676 50 residues pruned to eliminate duplicates Z: 60 62.760 2.347 0.929 0.628 0.932 0.712 CB 1.716 60 residues pruned to eliminate duplicates Z: 61 65.575 2.358 0.940 0.601 0.950 0.700 CB 1.770 61 residues pruned to eliminate duplicates Z: 63 59.000 2.216 0.942 0.615 0.984 0.710 CB 1.587 63 residues pruned to eliminate duplicates Z: 62 60.579 2.277 0.911 0.587 0.967 0.705 CB 1.695 62 residues pruned to eliminate duplicates Z: 63 66.878 2.363 0.980 0.598 0.952 0.726 CB 1.738 63 residues pruned to eliminate duplicates Z: 33 27.830 2.060 0.953 0.502 0.812 0.406 CB 1.503 33 residues pruned to eliminate duplicates Z: 29 45.627 2.202 1.196 0.600 0.929 0.750 CA 1.746 29 residues pruned to eliminate duplicates Z: 66 64.875 2.307 0.958 0.583 0.954 0.723 CB 1.724 66 residues pruned to eliminate duplicates Z: 66 66.165 2.302 0.981 0.588 0.985 0.677 CB 1.679 66 residues pruned to eliminate duplicates Z: 14 24.820 2.086 1.403 0.701 0.846 0.692 CA 1.351 Z: 39 42.095 2.181 1.171 0.581 0.842 0.526 CB 1.584 35 residues pruned to eliminate duplicates Z: 39 44.083 2.125 0.992 0.685 0.895 0.526 CB 1.593 39 residues pruned to eliminate duplicates Z: 67 60.919 2.236 0.926 0.577 0.955 0.697 CB 1.694 67 residues pruned to eliminate duplicates Z: 63 66.944 2.262 1.062 0.617 0.968 0.677 CB 1.686 65 residues pruned to eliminate duplicates Z: 16 27.968 2.095 0.691 0.896 1.000 0.600 CA 1.460 16 residues pruned to eliminate duplicates Z: 38 50.150 2.190 1.123 0.706 0.919 0.514 CB 1.601 36 residues pruned to eliminate duplicates Z: 15 32.639 2.338 1.136 0.562 0.929 0.857 CB 1.771 15 residues pruned to eliminate duplicates Z: 61 68.840 2.367 1.003 0.599 0.983 0.700 CB 1.734 61 residues pruned to eliminate duplicates Z: 14 31.391 2.085 1.039 0.875 1.000 0.692 CB 1.490 14 residues pruned to eliminate duplicates Z: 62 55.851 2.239 0.863 0.624 0.934 0.705 CB 1.634 62 residues pruned to eliminate duplicates Z: 14 32.859 2.132 0.802 0.883 1.000 1.000 CB 1.715 14 residues pruned to eliminate duplicates Z: 15 18.738 2.111 0.501 0.786 0.786 0.500 CA 1.564 15 residues pruned to eliminate duplicates Z: 15 20.811 2.233 0.426 0.700 0.857 0.429 CA 1.698 15 residues pruned to eliminate duplicates Z: 56 71.433 2.406 1.007 0.649 0.982 0.691 CA 1.769 56 residues pruned to eliminate duplicates Z: 14 30.651 2.058 1.008 0.884 1.000 0.692 CB 1.487 14 residues pruned to eliminate duplicates Z: 64 69.010 2.331 1.023 0.606 0.968 0.730 CB 1.722 58 residues pruned to eliminate duplicates Z: 65 61.616 2.284 0.861 0.596 0.984 0.734 CB 1.680 65 residues pruned to eliminate duplicates Z: 15 25.019 2.144 0.500 0.938 0.929 0.857 CB 1.558 15 residues pruned to eliminate duplicates Z: 16 31.277 2.224 0.688 0.789 1.000 0.667 CB 1.669 16 residues pruned to eliminate duplicates Z: 65 63.752 2.253 1.058 0.606 0.953 0.734 CB 1.630 63 residues pruned to eliminate duplicates Z: 25 27.391 2.042 1.117 0.497 0.875 0.667 CB 1.483 24 residues pruned to eliminate duplicates Z: 13 35.349 2.261 1.032 0.835 1.000 0.833 CA 1.664 Z: 66 60.930 2.222 0.934 0.624 0.969 0.754 CB 1.615 66 residues pruned to eliminate duplicates Z: 91 76.519 2.280 1.090 0.611 0.933 0.633 CB 1.631 91 residues pruned to eliminate duplicates Z: 64 56.780 2.254 0.853 0.584 0.937 0.746 CB 1.687 64 residues pruned to eliminate duplicates Z: 71 66.654 2.311 1.037 0.542 0.957 0.600 CB 1.697 71 residues pruned to eliminate duplicates Z: 92 72.016 2.249 1.047 0.613 0.923 0.615 CB 1.597 110 residues pruned to eliminate duplicates Z: 63 68.299 2.335 1.066 0.593 0.952 0.694 CB 1.728 63 residues pruned to eliminate duplicates Z: 62 59.189 2.224 0.974 0.619 0.951 0.672 CB 1.623 62 residues pruned to eliminate duplicates Z: 15 21.947 2.114 0.455 0.924 0.857 0.714 CA 1.563 15 residues pruned to eliminate duplicates Z: 62 60.512 2.268 1.004 0.596 0.951 0.754 CB 1.636 62 residues pruned to eliminate duplicates Z: 59 59.751 2.282 0.918 0.644 0.966 0.793 CB 1.623 59 residues pruned to eliminate duplicates Z: 56 73.171 2.352 1.104 0.668 0.982 0.782 CB 1.739 56 residues pruned to eliminate duplicates Z: 62 58.574 2.237 1.017 0.602 0.934 0.721 CB 1.615 62 residues pruned to eliminate duplicates Z: 14 32.765 2.070 1.094 0.886 1.000 0.923 CB 1.513 14 residues pruned to eliminate duplicates Z: 63 69.894 2.352 1.103 0.606 0.968 0.726 CB 1.677 63 residues pruned to eliminate duplicates Z: 157 96.509 2.282 1.021 0.605 0.917 0.667 CB 1.654 157 residues pruned to eliminate duplicates Z: 19 24.116 2.147 0.994 0.539 0.833 0.667 CB 1.534 7 residues pruned to eliminate duplicates Z: 62 59.722 2.249 0.912 0.628 0.967 0.820 CB 1.630 62 residues pruned to eliminate duplicates Z: 75 74.687 2.309 1.057 0.626 0.946 0.703 CA 1.717 75 residues pruned to eliminate duplicates Z: 70 57.814 2.207 0.911 0.575 0.957 0.609 CB 1.605 70 residues pruned to eliminate duplicates Z: 71 67.821 2.299 1.017 0.583 0.957 0.643 CB 1.687 71 residues pruned to eliminate duplicates Z: 64 68.747 2.351 1.058 0.603 0.952 0.762 CB 1.704 64 residues pruned to eliminate duplicates Z: 11 25.777 2.093 1.405 0.706 0.900 0.800 CB 1.492 11 residues pruned to eliminate duplicates Z: 104 76.805 2.222 0.952 0.611 0.951 0.709 CB 1.650 103 residues pruned to eliminate duplicates Z: 17 27.868 2.161 0.569 0.826 1.000 0.625 CA 1.550 17 residues pruned to eliminate duplicates Z: 15 34.491 2.144 0.926 0.878 1.000 0.857 CA 1.619 15 residues pruned to eliminate duplicates Z: 12 29.585 2.298 0.775 0.876 1.000 1.000 CB 1.589 12 residues pruned to eliminate duplicates Z: 14 36.840 2.148 1.086 0.870 1.000 0.692 CA 1.665 14 residues pruned to eliminate duplicates Z: 66 57.002 2.274 0.792 0.598 0.938 0.738 CB 1.684 66 residues pruned to eliminate duplicates Z: 31 43.329 2.176 1.439 0.664 0.867 0.500 CB 1.478 31 residues pruned to eliminate duplicates Z: 64 75.085 2.392 1.098 0.600 0.968 0.667 CB 1.770 64 residues pruned to eliminate duplicates Z: 11 29.131 2.067 1.663 0.730 0.900 0.800 CA 1.513 11 residues pruned to eliminate duplicates Z: 16 30.742 2.308 0.704 0.774 0.933 0.733 CA 1.698 16 residues pruned to eliminate duplicates Z: 15 28.325 1.995 0.834 0.842 0.929 0.571 CB 1.660 15 residues pruned to eliminate duplicates Z: 14 30.484 2.107 1.105 0.863 0.923 0.769 CB 1.515 14 residues pruned to eliminate duplicates Z: 15 20.948 2.051 0.660 0.745 0.929 0.500 CB 1.422 15 residues pruned to eliminate duplicates Z: 21 25.866 1.926 1.369 0.508 0.850 0.700 CA 1.479 21 residues pruned to eliminate duplicates Z: 128 89.759 2.301 0.973 0.613 0.945 0.709 CB 1.667 106 residues pruned to eliminate duplicates Z: 19 22.322 2.188 0.591 0.463 0.944 0.667 CB 1.661 19 residues pruned to eliminate duplicates Z: 15 34.116 2.126 1.017 0.896 1.000 0.857 CB 1.523 15 residues pruned to eliminate duplicates Z: 57 65.112 2.386 0.927 0.625 0.964 0.696 CA 1.744 57 residues pruned to eliminate duplicates Z: 15 20.521 2.135 0.169 0.928 1.000 0.929 CA 1.538 15 residues pruned to eliminate duplicates Z: 14 30.858 2.140 0.828 0.876 1.000 0.846 CB 1.590 14 residues pruned to eliminate duplicates Z: 18 22.772 2.227 0.520 0.540 0.941 0.706 CB 1.667 18 residues pruned to eliminate duplicates Z: 16 25.052 2.220 0.722 0.722 0.867 0.600 CA 1.598 16 residues pruned to eliminate duplicates Z: 12 15.576 1.881 0.634 0.773 1.000 0.455 CB 1.200 13 residues pruned to eliminate duplicates Z: 36 43.540 2.190 1.061 0.689 0.886 0.714 CB 1.548 26 residues pruned to eliminate duplicates Z: 102 78.121 2.258 0.967 0.636 0.950 0.673 CB 1.622 102 residues pruned to eliminate duplicates Z: 15 17.932 2.082 0.609 0.761 0.786 0.571 CB 1.444 15 residues pruned to eliminate duplicates Z: 15 28.004 1.993 0.901 0.862 1.000 0.571 C 1.451 15 residues pruned to eliminate duplicates Z: 15 23.456 2.143 1.211 0.537 0.857 0.500 CA 1.489 15 residues pruned to eliminate duplicates Z: 51 38.118 2.105 0.692 0.591 0.940 0.680 CB 1.476 51 residues pruned to eliminate duplicates Z: 14 38.307 2.181 1.207 0.894 1.000 0.923 CB 1.583 14 residues pruned to eliminate duplicates Z: 13 32.605 2.398 0.626 0.797 1.000 0.583 CB 1.861 13 residues pruned to eliminate duplicates Z: 16 24.129 2.270 0.687 0.726 0.800 0.533 CA 1.658 16 residues pruned to eliminate duplicates Z: 16 18.127 2.101 0.256 0.807 0.933 0.733 CB 1.454 16 residues pruned to eliminate duplicates Z: 15 23.686 2.126 0.379 0.923 1.000 0.929 CA 1.517 15 residues pruned to eliminate duplicates Z: 15 22.036 2.081 0.369 0.905 1.000 0.929 CB 1.471 15 residues pruned to eliminate duplicates Z: 7 4.869 1.755 1.316 0.260 0.667 0.500 CB 0.965 Z: 64 55.821 2.204 0.947 0.590 0.952 0.651 CB 1.580 64 residues pruned to eliminate duplicates Z: 16 25.207 2.291 0.614 0.776 0.800 0.600 CA 1.724 16 residues pruned to eliminate duplicates Z: 61 56.292 2.258 0.783 0.615 0.983 0.650 CB 1.647 61 residues pruned to eliminate duplicates Z: 49 49.814 2.163 0.827 0.620 0.979 0.625 CB 1.659 49 residues pruned to eliminate duplicates Z: 64 68.198 2.366 0.965 0.590 0.968 0.746 CB 1.751 64 residues pruned to eliminate duplicates Z: 55 72.831 2.398 1.070 0.663 0.981 0.778 CB 1.748 55 residues pruned to eliminate duplicates Z: 15 33.496 2.259 0.993 0.923 0.929 0.714 CA 1.505 15 residues pruned to eliminate duplicates Z: 17 22.076 2.122 1.059 0.621 0.812 0.625 CB 1.386 17 residues pruned to eliminate duplicates Z: 62 57.760 2.209 0.918 0.606 0.967 0.770 CB 1.632 62 residues pruned to eliminate duplicates Z: 39 44.707 2.230 1.135 0.583 0.921 0.684 CA 1.527 39 residues pruned to eliminate duplicates Z: 65 57.291 2.250 0.894 0.579 0.953 0.703 CB 1.634 65 residues pruned to eliminate duplicates Z: 14 32.595 2.111 1.035 0.860 0.923 0.846 CA 1.676 14 residues pruned to eliminate duplicates Z: 15 29.104 2.157 0.618 0.931 1.000 0.929 CA 1.558 15 residues pruned to eliminate duplicates Z: 39 45.745 2.163 1.030 0.658 0.895 0.605 CA 1.631 39 residues pruned to eliminate duplicates Z: 16 26.455 2.152 0.726 0.759 0.933 0.667 CB 1.566 16 residues pruned to eliminate duplicates Z: 69 52.842 2.223 0.923 0.563 0.912 0.721 CB 1.547 69 residues pruned to eliminate duplicates Z: 14 32.817 2.205 0.822 0.858 1.000 0.769 CB 1.669 14 residues pruned to eliminate duplicates Z: 16 24.134 2.086 0.535 0.921 0.933 0.867 CA 1.468 16 residues pruned to eliminate duplicates Z: 56 71.318 2.356 1.015 0.663 1.000 0.745 CB 1.743 56 residues pruned to eliminate duplicates Z: 36 34.575 2.117 0.958 0.668 0.771 0.457 CB 1.565 36 residues pruned to eliminate duplicates Z: 14 22.604 1.989 1.176 0.680 0.846 0.769 CB 1.450 12 residues pruned to eliminate duplicates Z: 15 33.105 2.113 0.973 0.883 0.929 0.643 CB 1.653 15 residues pruned to eliminate duplicates Z: 15 19.095 2.072 0.309 0.912 0.929 0.929 CB 1.435 15 residues pruned to eliminate duplicates Z: 16 32.834 2.177 1.148 0.840 0.933 0.667 CA 1.450 16 residues pruned to eliminate duplicates Z: 62 63.325 2.360 0.872 0.607 0.967 0.738 CB 1.714 62 residues pruned to eliminate duplicates Z: 17 29.681 2.170 0.875 0.855 0.938 0.812 CA 1.436 17 residues pruned to eliminate duplicates Z: 7 11.164 1.966 0.687 0.794 0.833 0.667 CB 1.275 7 residues pruned to eliminate duplicates Z: 15 31.666 2.134 1.055 0.877 0.929 0.786 CB 1.510 15 residues pruned to eliminate duplicates Z: 14 28.580 2.048 1.045 0.886 0.923 0.692 CB 1.480 14 residues pruned to eliminate duplicates Z: 68 64.707 2.254 0.974 0.607 0.955 0.672 CB 1.681 68 residues pruned to eliminate duplicates Z: 16 19.632 1.980 0.572 0.731 0.933 0.667 CA 1.418 16 residues pruned to eliminate duplicates Z: 65 59.726 2.263 0.888 0.581 0.953 0.688 CB 1.696 72 residues pruned to eliminate duplicates Z: 15 25.100 2.011 0.863 0.878 0.929 0.857 CB 1.400 15 residues pruned to eliminate duplicates Z: 13 33.598 2.192 1.178 0.879 0.917 0.750 CB 1.607 Z: 14 29.631 2.037 1.054 0.838 1.000 0.769 CA 1.468 14 residues pruned to eliminate duplicates Z: 15 23.384 2.169 0.737 0.817 0.857 0.357 CB 1.470 15 residues pruned to eliminate duplicates Z: 11 14.836 2.027 0.442 0.827 0.900 0.500 CB 1.344 11 residues pruned to eliminate duplicates Z: 15 20.501 2.003 1.232 0.518 0.857 0.643 CB 1.405 Z: 14 30.981 2.166 1.005 0.860 1.000 0.769 CB 1.454 14 residues pruned to eliminate duplicates Z: 17 20.852 2.050 0.381 0.782 0.938 0.500 CA 1.531 17 residues pruned to eliminate duplicates Z: 19 29.897 2.116 1.239 0.604 0.889 0.778 CB 1.515 20 residues pruned to eliminate duplicates Z: 127 93.697 2.324 1.004 0.600 0.944 0.698 CB 1.725 63 residues pruned to eliminate duplicates Z: 14 26.494 2.170 0.481 0.928 1.000 0.923 CB 1.601 14 residues pruned to eliminate duplicates Z: 15 19.438 1.900 0.476 0.809 0.929 0.643 CB 1.523 15 residues pruned to eliminate duplicates Z: 62 58.827 2.267 0.913 0.598 0.951 0.754 CB 1.664 62 residues pruned to eliminate duplicates Z: 63 69.299 2.354 1.028 0.606 0.968 0.742 CB 1.723 63 residues pruned to eliminate duplicates Z: 17 25.221 2.117 0.654 0.868 0.938 0.875 CA 1.403 Z: 15 17.390 2.158 0.356 0.720 0.786 0.571 CA 1.658 15 residues pruned to eliminate duplicates Z: 14 33.156 2.146 1.145 0.872 0.923 0.615 CB 1.578 14 residues pruned to eliminate duplicates Z: 15 35.667 2.039 1.082 0.908 1.000 1.000 C 1.595 15 residues pruned to eliminate duplicates Z: 15 32.279 2.086 1.121 0.898 1.000 0.643 CA 1.395 15 residues pruned to eliminate duplicates Z: 15 29.002 1.981 1.249 0.809 1.000 0.786 CA 1.329 15 residues pruned to eliminate duplicates Z: 14 32.333 2.109 1.094 0.871 1.000 0.769 CA 1.481 14 residues pruned to eliminate duplicates Z: 64 61.511 2.257 0.843 0.587 0.984 0.698 CB 1.742 64 residues pruned to eliminate duplicates Z: 14 33.927 2.159 1.248 0.907 1.000 0.923 CB 1.378 14 residues pruned to eliminate duplicates Z: 15 21.513 2.168 0.253 0.926 1.000 0.857 CB 1.485 15 residues pruned to eliminate duplicates Z: 13 11.617 1.800 0.723 0.767 0.750 0.500 CB 1.138 Z: 43 38.132 2.110 0.970 0.602 0.881 0.476 CB 1.458 43 residues pruned to eliminate duplicates Z: 63 62.473 2.254 1.002 0.597 0.935 0.661 CB 1.714 63 residues pruned to eliminate duplicates Z: 59 70.765 2.318 1.107 0.634 0.966 0.776 CB 1.738 59 residues pruned to eliminate duplicates Z: 12 16.425 1.889 0.620 0.791 0.909 0.636 CB 1.379 12 residues pruned to eliminate duplicates Z: 14 30.412 2.203 0.623 0.936 1.000 0.923 CB 1.642 14 residues pruned to eliminate duplicates Z: 62 57.356 2.229 0.906 0.626 0.951 0.705 CB 1.614 62 residues pruned to eliminate duplicates Z: 22 28.766 2.150 1.031 0.605 0.810 0.524 CB 1.607 22 residues pruned to eliminate duplicates Z: 15 40.202 2.159 1.205 0.899 1.000 0.857 CB 1.613 15 residues pruned to eliminate duplicates Z: 13 28.265 2.112 0.888 0.881 0.917 0.833 CB 1.617 13 residues pruned to eliminate duplicates Z: 14 30.514 2.159 1.115 0.846 0.923 0.615 CB 1.492 14 residues pruned to eliminate duplicates Z: 16 27.742 2.108 0.608 0.901 1.000 0.600 CA 1.509 16 residues pruned to eliminate duplicates Z: 66 70.088 2.368 0.978 0.591 0.969 0.662 CB 1.755 82 residues pruned to eliminate duplicates Z: 16 24.146 2.138 0.413 0.834 1.000 0.533 CA 1.548 16 residues pruned to eliminate duplicates Z: 79 72.189 2.322 0.967 0.597 0.974 0.744 CB 1.674 64 residues pruned to eliminate duplicates Z: 16 24.189 2.240 0.703 0.783 0.800 0.600 CB 1.595 16 residues pruned to eliminate duplicates Z: 66 71.556 2.344 1.112 0.568 0.969 0.600 CA 1.733 67 residues pruned to eliminate duplicates Z: 63 68.602 2.273 1.078 0.629 0.984 0.758 CB 1.660 64 residues pruned to eliminate duplicates Z: 15 23.106 2.116 0.668 0.773 0.929 0.571 CB 1.481 15 residues pruned to eliminate duplicates Z: 11 20.727 2.007 0.704 0.761 1.000 0.700 CA 1.520 11 residues pruned to eliminate duplicates Z: 24 32.271 2.013 0.866 0.825 0.957 0.652 CB 1.414 24 residues pruned to eliminate duplicates Z: 25 28.004 1.918 0.878 0.860 0.917 0.667 CB 1.273 26 residues pruned to eliminate duplicates Z: 15 33.892 2.152 0.949 0.929 1.000 0.857 CB 1.512 15 residues pruned to eliminate duplicates Z: 13 11.038 1.905 0.154 0.848 0.750 0.583 CB 1.434 13 residues pruned to eliminate duplicates Z: 13 14.758 2.071 0.417 0.724 0.750 0.417 CA 1.580 13 residues pruned to eliminate duplicates Z: 14 29.978 2.050 1.286 0.871 0.923 0.769 CB 1.402 14 residues pruned to eliminate duplicates Z: 12 22.997 2.145 0.581 0.843 1.000 0.636 CB 1.522 12 residues pruned to eliminate duplicates Z: 47 35.013 2.058 0.855 0.601 0.848 0.587 CB 1.448 38 residues pruned to eliminate duplicates Z: 15 25.419 2.001 0.709 0.872 0.929 0.714 CA 1.559 15 residues pruned to eliminate duplicates Z: 62 41.244 2.082 0.649 0.600 0.934 0.639 CB 1.496 62 residues pruned to eliminate duplicates Z: 17 28.086 2.162 0.773 0.862 1.000 0.812 CA 1.345 17 residues pruned to eliminate duplicates Z: 16 18.297 2.176 0.168 0.769 0.933 0.667 CA 1.570 16 residues pruned to eliminate duplicates Z: 15 28.249 2.203 0.579 0.901 1.000 0.857 CB 1.549 15 residues pruned to eliminate duplicates Z: 37 44.862 2.166 1.094 0.680 0.889 0.667 CB 1.571 37 residues pruned to eliminate duplicates Z: 65 58.774 2.242 0.848 0.598 0.969 0.750 CB 1.666 65 residues pruned to eliminate duplicates Z: 16 30.083 2.125 0.771 0.866 1.000 0.600 CA 1.510 16 residues pruned to eliminate duplicates Z: 13 21.698 1.957 1.092 0.806 0.833 0.583 CB 1.407 13 residues pruned to eliminate duplicates Z: 11 17.572 1.905 0.695 0.845 1.000 0.600 CB 1.279 11 residues pruned to eliminate duplicates Z: 9 8.712 2.046 0.715 0.354 0.750 0.625 CB 1.371 10 residues pruned to eliminate duplicates Z: 16 22.772 2.158 0.309 0.900 1.000 0.867 CB 1.487 16 residues pruned to eliminate duplicates Z: 17 17.303 1.953 0.288 0.799 0.938 0.625 CA 1.411 17 residues pruned to eliminate duplicates Z: 36 42.982 2.189 0.895 0.681 0.914 0.714 CB 1.622 36 residues pruned to eliminate duplicates Z: 7 8.229 1.939 1.012 0.444 0.833 0.667 CA 1.094 7 residues pruned to eliminate duplicates Z: 61 57.113 2.242 0.853 0.614 0.983 0.767 CB 1.620 61 residues pruned to eliminate duplicates Z: 14 29.132 2.085 0.883 0.874 1.000 0.846 CB 1.497 15 residues pruned to eliminate duplicates Z: 9 17.182 2.094 0.486 0.846 0.875 0.625 CB 1.658 9 residues pruned to eliminate duplicates Z: 65 62.476 2.266 0.961 0.614 0.953 0.766 CB 1.656 65 residues pruned to eliminate duplicates Z: 40 63.480 2.386 1.064 0.706 0.974 0.744 CA 1.755 40 residues pruned to eliminate duplicates Z: 23 27.803 1.990 0.711 0.855 0.909 0.682 CB 1.414 23 residues pruned to eliminate duplicates Z: 15 22.983 2.049 0.719 0.834 0.929 0.643 CB 1.407 15 residues pruned to eliminate duplicates Z: 14 25.171 2.049 1.033 0.790 0.846 0.692 CA 1.535 14 residues pruned to eliminate duplicates Z: 11 16.691 1.865 0.593 0.860 1.000 0.700 CB 1.307 12 residues pruned to eliminate duplicates Z: 15 35.624 2.147 0.938 0.945 1.000 0.929 CB 1.584 15 residues pruned to eliminate duplicates Z: 14 33.381 2.206 0.801 0.936 1.000 0.923 CB 1.623 14 residues pruned to eliminate duplicates Z: 15 38.516 2.179 1.084 0.874 1.000 0.714 CA 1.650 15 residues pruned to eliminate duplicates Z: 11 19.979 2.013 0.910 0.797 0.900 0.700 CB 1.408 12 residues pruned to eliminate duplicates Z: 64 62.101 2.262 0.919 0.596 0.968 0.714 CB 1.698 64 residues pruned to eliminate duplicates Z: 15 26.937 2.246 0.734 0.795 0.857 0.643 CA 1.666 15 residues pruned to eliminate duplicates Z: 56 71.741 2.380 1.012 0.653 0.982 0.673 CB 1.785 56 residues pruned to eliminate duplicates Z: 64 54.451 2.180 0.975 0.605 0.937 0.730 CB 1.540 64 residues pruned to eliminate duplicates Z: 15 34.172 2.410 0.834 0.744 0.929 0.571 CB 1.789 15 residues pruned to eliminate duplicates Z: 51 59.015 2.305 1.052 0.620 0.940 0.720 CB 1.676 51 residues pruned to eliminate duplicates Z: 15 31.009 2.219 0.702 0.926 1.000 0.857 CA 1.538 15 residues pruned to eliminate duplicates Z: 16 28.141 2.188 0.836 0.890 0.933 0.667 CA 1.394 16 residues pruned to eliminate duplicates Z: 39 33.922 2.103 0.997 0.597 0.789 0.474 CB 1.512 77 residues pruned to eliminate duplicates Z: 16 20.868 2.048 0.417 0.762 1.000 0.600 CA 1.471 16 residues pruned to eliminate duplicates Z: 67 59.857 2.239 0.858 0.603 0.955 0.636 CB 1.682 67 residues pruned to eliminate duplicates Z: 9 19.157 2.100 0.935 0.778 0.875 0.875 CA 1.491 9 residues pruned to eliminate duplicates Z: 11 20.883 1.952 0.853 0.837 1.000 0.700 CA 1.366 11 residues pruned to eliminate duplicates Z: 8 23.674 2.001 1.107 0.905 1.000 0.857 CA 1.510 8 residues pruned to eliminate duplicates Z: 63 61.544 2.232 1.003 0.587 0.968 0.694 CB 1.662 63 residues pruned to eliminate duplicates Z: 15 32.337 2.100 0.930 0.890 1.000 0.857 CB 1.534 15 residues pruned to eliminate duplicates Z: 16 11.428 1.773 0.207 0.777 0.867 0.533 CB 1.245 16 residues pruned to eliminate duplicates Z: 58 66.289 2.358 0.894 0.648 1.000 0.737 CB 1.712 58 residues pruned to eliminate duplicates Z: 11 16.660 1.848 0.785 0.811 0.900 0.800 CB 1.354 11 residues pruned to eliminate duplicates Z: 17 31.019 2.146 0.946 0.894 0.938 0.750 CA 1.421 17 residues pruned to eliminate duplicates Z: 16 29.075 2.043 1.011 0.918 1.000 0.800 CB 1.289 16 residues pruned to eliminate duplicates Z: 105 71.795 2.201 1.055 0.549 0.913 0.644 CB 1.623 92 residues pruned to eliminate duplicates Z: 63 50.865 2.142 0.891 0.617 0.952 0.790 CB 1.500 63 residues pruned to eliminate duplicates Z: 13 21.256 2.055 0.434 0.859 1.000 0.667 CA 1.533 13 residues pruned to eliminate duplicates Z: 52 70.504 2.414 1.120 0.668 0.941 0.647 CA 1.755 52 residues pruned to eliminate duplicates Z: 16 25.746 2.082 0.567 0.901 1.000 0.733 CA 1.455 16 residues pruned to eliminate duplicates Z: 37 39.944 2.194 0.932 0.660 0.861 0.556 CB 1.572 37 residues pruned to eliminate duplicates Z: 105 70.856 2.199 0.971 0.608 0.942 0.654 CB 1.535 60 residues pruned to eliminate duplicates Z: 60 68.130 2.326 1.020 0.623 0.983 0.763 CB 1.710 60 residues pruned to eliminate duplicates Z: 23 30.185 2.023 0.934 0.837 0.909 0.545 CB 1.354 Z: 16 31.123 2.205 0.990 0.892 0.933 0.867 CA 1.409 16 residues pruned to eliminate duplicates Z: 15 18.615 2.053 0.601 0.685 0.857 0.500 CA 1.491 15 residues pruned to eliminate duplicates Z: 15 22.452 2.169 0.462 0.751 0.929 0.571 CA 1.629 15 residues pruned to eliminate duplicates Z: 16 30.800 1.994 1.048 0.788 1.000 0.800 CB 1.512 16 residues pruned to eliminate duplicates Z: 11 15.530 1.912 0.949 0.792 0.800 0.700 CB 1.275 11 residues pruned to eliminate duplicates Z: 63 75.131 2.396 1.060 0.599 0.984 0.758 CB 1.788 63 residues pruned to eliminate duplicates Z: 9 12.104 2.109 0.124 0.860 0.875 0.750 CB 1.517 9 residues pruned to eliminate duplicates Z: 13 12.716 1.759 0.875 0.707 0.917 0.500 CB 1.005 13 residues pruned to eliminate duplicates Z: 64 65.985 2.278 0.976 0.592 0.984 0.667 CB 1.719 64 residues pruned to eliminate duplicates Z: 59 54.549 2.181 0.823 0.637 0.983 0.638 CB 1.613 59 residues pruned to eliminate duplicates Z: 11 22.731 2.039 1.177 0.669 0.900 0.800 CA 1.540 Z: 17 22.631 2.014 0.511 0.834 0.938 0.562 CA 1.486 17 residues pruned to eliminate duplicates Z: 64 59.335 2.267 0.998 0.602 0.921 0.698 CB 1.626 64 residues pruned to eliminate duplicates Z: 65 66.693 2.284 1.019 0.588 0.969 0.641 CB 1.716 111 residues pruned to eliminate duplicates Z: 119 82.186 2.258 1.025 0.585 0.941 0.627 CB 1.621 119 residues pruned to eliminate duplicates Z: 10 7.099 1.827 1.155 0.227 0.667 0.333 CA 1.239 10 residues pruned to eliminate duplicates Z: 14 29.652 1.974 1.074 0.918 1.000 0.923 CB 1.417 14 residues pruned to eliminate duplicates Z: 39 40.724 2.113 1.078 0.612 0.895 0.526 CB 1.512 34 residues pruned to eliminate duplicates Z: 21 36.826 2.101 1.074 0.843 0.900 0.650 CB 1.564 21 residues pruned to eliminate duplicates Z: 17 27.100 2.124 0.795 0.858 0.938 0.750 CA 1.395 17 residues pruned to eliminate duplicates Z: 16 14.728 1.784 0.827 0.767 0.800 0.533 CB 1.151 21 residues pruned to eliminate duplicates Z: 37 35.618 2.204 1.097 0.573 0.806 0.583 CB 1.486 37 residues pruned to eliminate duplicates Z: 64 65.034 2.244 0.992 0.589 0.984 0.635 CB 1.710 64 residues pruned to eliminate duplicates Z: 35 25.247 2.013 1.048 0.414 0.824 0.529 CB 1.396 10 residues pruned to eliminate duplicates Z: 66 58.183 2.222 0.923 0.622 0.969 0.800 CB 1.553 66 residues pruned to eliminate duplicates Z: 12 19.537 1.857 1.039 0.800 0.909 0.545 CB 1.316 12 residues pruned to eliminate duplicates Z: 39 36.080 2.006 1.088 0.644 0.895 0.474 CB 1.366 39 residues pruned to eliminate duplicates Z: 8 10.218 2.012 0.218 0.910 1.000 1.000 CB 1.118 8 residues pruned to eliminate duplicates Z: 47 46.021 2.171 0.954 0.596 0.913 0.826 CB 1.599 47 residues pruned to eliminate duplicates Z: 14 32.302 2.094 0.919 0.901 1.000 1.000 CB 1.592 Z: 14 23.747 2.090 0.774 0.910 0.923 0.846 CB 1.365 14 residues pruned to eliminate duplicates Z: 8 6.530 1.682 0.557 0.585 0.857 0.429 CB 1.014 8 residues pruned to eliminate duplicates Z: 67 67.517 2.353 0.940 0.589 0.955 0.758 CB 1.751 66 residues pruned to eliminate duplicates Z: 14 28.905 2.028 1.202 0.651 0.923 0.769 C 1.689 14 residues pruned to eliminate duplicates Z: 11 14.480 1.869 0.501 0.811 1.000 0.700 CB 1.246 11 residues pruned to eliminate duplicates Z: 34 46.181 2.319 0.985 0.610 0.939 0.727 CB 1.675 34 residues pruned to eliminate duplicates Z: 70 51.320 2.168 0.831 0.603 0.942 0.768 CB 1.497 68 residues pruned to eliminate duplicates Z: 15 24.213 2.230 0.574 0.759 0.857 0.429 CA 1.708 15 residues pruned to eliminate duplicates Z: 15 34.137 2.390 0.725 0.759 1.000 0.643 CB 1.757 15 residues pruned to eliminate duplicates Z: 11 15.329 2.135 0.204 0.832 0.900 0.700 CB 1.574 Z: 13 15.211 1.851 0.462 0.838 0.917 0.500 CA 1.323 13 residues pruned to eliminate duplicates Z: 10 10.668 1.929 0.422 0.775 0.778 0.556 CA 1.308 10 residues pruned to eliminate duplicates Z: 17 30.797 2.052 0.811 0.892 1.000 0.875 CA 1.489 17 residues pruned to eliminate duplicates Z: 22 29.171 2.044 0.775 0.828 0.905 0.524 CB 1.459 12 residues pruned to eliminate duplicates Z: 20 20.026 2.232 0.832 0.400 0.789 0.474 CA 1.582 27 residues pruned to eliminate duplicates Z: 14 34.352 2.197 0.886 0.924 1.000 0.923 CB 1.615 14 residues pruned to eliminate duplicates Z: 56 46.001 2.213 0.758 0.610 0.909 0.673 CB 1.580 56 residues pruned to eliminate duplicates Z: 61 69.642 2.345 1.018 0.618 0.983 0.783 CB 1.728 61 residues pruned to eliminate duplicates Z: 9 4.626 1.678 0.204 0.390 0.625 0.375 CA 1.456 Z: 6 10.706 2.340 0.853 0.519 0.800 0.400 CB 1.354 6 residues pruned to eliminate duplicates Z: 12 21.122 1.890 0.851 0.823 1.000 0.727 CB 1.375 12 residues pruned to eliminate duplicates Z: 15 25.506 2.164 0.984 0.552 0.929 0.714 CB 1.625 15 residues pruned to eliminate duplicates Z: 65 67.876 2.375 1.010 0.597 0.938 0.766 CA 1.729 65 residues pruned to eliminate duplicates Z: 15 29.002 2.123 0.688 0.941 1.000 0.929 CA 1.502 15 residues pruned to eliminate duplicates Z: 75 68.129 2.323 1.016 0.555 0.932 0.662 CB 1.720 75 residues pruned to eliminate duplicates Z: 6 4.205 1.657 0.151 0.294 1.000 0.600 CB 1.242 6 residues pruned to eliminate duplicates Z: 15 22.275 2.050 0.582 0.814 0.929 0.714 CB 1.504 15 residues pruned to eliminate duplicates Z: 25 32.178 2.001 0.945 0.829 0.917 0.500 CB 1.385 25 residues pruned to eliminate duplicates Z: 58 47.864 2.171 0.968 0.577 0.895 0.719 CB 1.539 58 residues pruned to eliminate duplicates Z: 10 18.052 1.831 0.848 0.819 1.000 0.444 CA 1.348 10 residues pruned to eliminate duplicates Z: 14 32.866 2.448 0.741 0.732 0.923 0.538 CB 1.880 14 residues pruned to eliminate duplicates Z: 27 54.863 2.308 1.416 0.729 0.923 0.538 CB 1.701 27 residues pruned to eliminate duplicates Z: 8 8.833 2.037 -0.311 0.793 1.000 0.429 N 1.840 Z: 13 33.688 2.165 1.263 0.885 0.917 0.583 CB 1.564 13 residues pruned to eliminate duplicates Z: 54 45.786 2.179 0.806 0.580 0.943 0.623 CB 1.569 54 residues pruned to eliminate duplicates Z: 68 62.283 2.242 0.965 0.626 0.955 0.731 CB 1.606 68 residues pruned to eliminate duplicates Z: 11 15.415 1.810 0.803 0.870 0.900 0.700 CB 1.212 11 residues pruned to eliminate duplicates Z: 16 22.807 2.078 0.511 0.833 0.933 0.600 CA 1.507 Z: 24 28.012 1.975 0.840 0.802 0.870 0.609 CB 1.420 24 residues pruned to eliminate duplicates Z: 16 29.301 2.050 1.026 0.918 1.000 0.933 CB 1.284 16 residues pruned to eliminate duplicates Z: 64 70.152 2.313 1.085 0.613 0.968 0.778 CB 1.701 80 residues pruned to eliminate duplicates Z: 14 22.272 2.210 1.002 0.604 0.846 0.769 CA 1.494 14 residues pruned to eliminate duplicates Z: 11 20.078 2.050 0.639 0.720 1.000 0.600 CB 1.549 11 residues pruned to eliminate duplicates Z: 11 11.070 1.837 0.559 0.776 0.900 0.700 CB 1.064 11 residues pruned to eliminate duplicates Z: 15 29.578 1.937 1.216 0.899 1.000 0.929 CA 1.317 15 residues pruned to eliminate duplicates Z: 16 27.042 1.987 0.855 0.813 0.933 0.600 CB 1.545 16 residues pruned to eliminate duplicates Z: 12 19.049 1.843 1.103 0.874 0.909 0.545 CB 1.186 12 residues pruned to eliminate duplicates Z: 13 26.686 2.047 1.049 0.884 1.000 0.917 CB 1.327 13 residues pruned to eliminate duplicates Z: 17 17.790 1.959 0.317 0.796 0.938 0.750 CA 1.418 17 residues pruned to eliminate duplicates Z: 15 27.454 2.062 0.985 0.791 0.929 0.786 CB 1.495 15 residues pruned to eliminate duplicates Z: 14 17.674 2.136 0.372 0.792 0.846 0.538 CB 1.529 14 residues pruned to eliminate duplicates Z: 13 26.380 2.207 1.037 0.679 0.917 0.667 CA 1.567 13 residues pruned to eliminate duplicates Z: 79 64.675 2.251 1.023 0.558 0.949 0.615 CB 1.602 79 residues pruned to eliminate duplicates Z: 40 38.486 2.094 0.926 0.682 0.872 0.538 CB 1.483 40 residues pruned to eliminate duplicates Z: 14 26.063 2.075 0.800 0.938 1.000 0.846 CB 1.345 14 residues pruned to eliminate duplicates Z: 15 28.779 2.092 0.732 0.866 1.000 0.643 CB 1.554 15 residues pruned to eliminate duplicates Z: 17 29.413 2.090 0.801 0.881 0.938 0.875 CB 1.510 17 residues pruned to eliminate duplicates Z: 51 60.096 2.286 1.043 0.643 0.960 0.740 CB 1.658 51 residues pruned to eliminate duplicates Z: 16 21.188 2.185 0.523 0.760 0.867 0.600 CA 1.506 16 residues pruned to eliminate duplicates Z: 13 23.177 2.152 0.688 0.878 0.917 0.500 CB 1.458 13 residues pruned to eliminate duplicates Z: 18 33.381 2.148 1.020 0.631 1.000 0.765 CB 1.650 18 residues pruned to eliminate duplicates Z: 14 25.734 2.096 0.801 0.934 1.000 0.846 CB 1.319 14 residues pruned to eliminate duplicates Z: 15 29.825 2.117 0.736 0.912 1.000 0.929 CA 1.536 15 residues pruned to eliminate duplicates Z: 17 27.063 2.157 0.736 0.865 0.938 0.688 CA 1.412 17 residues pruned to eliminate duplicates Z: 53 49.162 2.211 0.859 0.608 0.962 0.635 CB 1.557 53 residues pruned to eliminate duplicates Z: 41 59.899 2.378 0.940 0.716 0.975 0.750 CA 1.731 41 residues pruned to eliminate duplicates Z: 27 41.441 2.198 1.206 0.697 0.846 0.615 CB 1.655 16 residues pruned to eliminate duplicates Z: 15 23.775 2.045 0.745 0.941 1.000 0.786 CB 1.235 15 residues pruned to eliminate duplicates Z: 15 29.448 2.019 0.800 0.864 1.000 0.643 CB 1.587 15 residues pruned to eliminate duplicates Z: 24 26.054 1.900 0.912 0.846 0.870 0.522 CB 1.277 24 residues pruned to eliminate duplicates Z: 21 28.301 2.181 1.273 0.509 0.850 0.700 CB 1.488 21 residues pruned to eliminate duplicates Z: 56 46.724 2.178 0.624 0.596 0.945 0.655 CB 1.719 56 residues pruned to eliminate duplicates Z: 15 30.189 2.119 0.687 0.944 1.000 1.000 CB 1.563 15 residues pruned to eliminate duplicates Z: 13 14.374 1.868 0.385 0.834 0.833 0.583 CA 1.443 13 residues pruned to eliminate duplicates Z: 15 28.315 2.130 1.247 0.760 0.857 0.643 CA 1.463 15 residues pruned to eliminate duplicates Z: 11 6.839 1.679 -0.153 0.644 1.000 0.600 CB 1.330 Z: 15 27.385 2.050 0.920 0.824 0.929 0.571 CB 1.512 15 residues pruned to eliminate duplicates Z: 8 6.936 1.858 -0.125 0.629 0.857 0.714 CB 1.667 Z: 11 24.126 1.965 1.326 0.862 1.000 0.700 CB 1.226 11 residues pruned to eliminate duplicates Z: 12 8.710 1.750 0.292 0.803 0.727 0.545 CB 1.225 12 residues pruned to eliminate duplicates Z: 16 21.091 2.082 0.385 0.767 1.000 0.600 CA 1.490 16 residues pruned to eliminate duplicates Z: 7 3.107 1.619 -0.073 0.413 1.000 0.667 CA 0.926 Z: 14 37.591 2.120 1.117 0.881 1.000 0.846 CB 1.682 14 residues pruned to eliminate duplicates Z: 11 18.726 1.829 0.984 0.845 0.900 0.700 CA 1.348 11 residues pruned to eliminate duplicates Z: 8 6.264 1.693 -0.044 0.725 1.000 0.571 CB 1.195 Z: 24 32.579 1.940 1.005 0.836 0.913 0.696 CB 1.432 24 residues pruned to eliminate duplicates Z: 47 53.032 2.195 0.998 0.621 0.957 0.652 CB 1.663 47 residues pruned to eliminate duplicates Z: 7 6.932 1.951 0.487 0.550 0.667 0.500 CB 1.393 7 residues pruned to eliminate duplicates Z: 16 19.940 2.006 0.397 0.735 1.000 0.533 CA 1.486 16 residues pruned to eliminate duplicates Z: 13 17.675 1.799 0.680 0.809 0.917 0.667 CB 1.407 13 residues pruned to eliminate duplicates Z: 19 27.524 2.151 0.899 0.540 0.944 0.667 CB 1.617 19 residues pruned to eliminate duplicates Z: 17 15.107 1.960 0.313 0.770 0.812 0.625 CA 1.422 17 residues pruned to eliminate duplicates Z: 15 21.672 2.073 0.893 0.763 0.857 0.643 CB 1.363 15 residues pruned to eliminate duplicates Z: 16 10.984 2.039 1.124 0.261 0.667 0.333 CB 1.291 16 residues pruned to eliminate duplicates Z: 23 30.830 2.083 0.844 0.823 0.955 0.591 CB 1.354 23 residues pruned to eliminate duplicates Z: 8 7.319 2.015 0.667 0.364 0.857 0.429 CB 1.112 8 residues pruned to eliminate duplicates Z: 12 22.823 2.182 1.094 0.688 0.909 0.727 CB 1.394 12 residues pruned to eliminate duplicates Z: 13 10.748 1.892 1.113 0.311 0.667 0.500 CB 1.435 13 residues pruned to eliminate duplicates Z: 11 18.725 1.929 1.038 0.795 0.900 0.700 CB 1.293 11 residues pruned to eliminate duplicates Z: 15 17.679 1.941 0.373 0.808 1.000 0.571 CB 1.355 15 residues pruned to eliminate duplicates Z: 57 60.940 2.251 0.920 0.666 0.982 0.750 CB 1.646 57 residues pruned to eliminate duplicates Z: 14 34.987 2.396 0.984 0.706 0.923 0.538 CA 1.834 14 residues pruned to eliminate duplicates Z: 13 6.533 2.136 0.330 0.308 0.750 0.500 CB 1.096 13 residues pruned to eliminate duplicates Z: 16 29.048 2.018 0.975 0.910 1.000 0.800 CB 1.335 16 residues pruned to eliminate duplicates Z: 16 18.487 2.022 0.508 0.773 0.933 0.667 CB 1.317 16 residues pruned to eliminate duplicates Z: 14 29.687 2.107 0.915 0.953 1.000 1.000 CB 1.404 14 residues pruned to eliminate duplicates Z: 7 6.776 1.794 0.240 0.665 0.667 0.667 O 1.601 Z: 16 22.164 2.099 0.555 0.846 0.933 0.733 CB 1.395 16 residues pruned to eliminate duplicates Z: 9 8.660 2.034 0.398 0.344 0.875 0.625 CB 1.458 Z: 63 57.871 2.213 0.910 0.618 0.968 0.774 CB 1.608 63 residues pruned to eliminate duplicates Z: 23 29.182 2.265 0.921 0.452 0.864 0.682 CB 1.740 22 residues pruned to eliminate duplicates Z: 48 54.491 2.233 0.996 0.626 0.957 0.638 CB 1.654 48 residues pruned to eliminate duplicates Z: 66 70.027 2.367 1.039 0.579 0.954 0.723 CB 1.749 66 residues pruned to eliminate duplicates Z: 18 33.577 2.081 1.408 0.614 0.882 0.765 CB 1.654 18 residues pruned to eliminate duplicates Z: 14 11.442 1.877 0.198 0.806 0.846 0.692 CA 1.277 14 residues pruned to eliminate duplicates Z: 62 56.748 2.219 0.980 0.567 0.951 0.574 CB 1.630 62 residues pruned to eliminate duplicates Z: 10 19.344 2.018 0.874 0.830 1.000 0.889 CB 1.282 11 residues pruned to eliminate duplicates Z: 6 5.470 1.707 0.543 0.546 0.800 0.600 CB 1.110 6 residues pruned to eliminate duplicates Z: 19 22.220 2.105 0.576 0.526 0.944 0.611 CB 1.629 19 residues pruned to eliminate duplicates Z: 16 17.513 1.963 0.499 0.746 0.867 0.600 CB 1.423 16 residues pruned to eliminate duplicates Z: 20 17.924 1.805 0.864 0.528 0.895 0.684 CB 1.329 10 residues pruned to eliminate duplicates Z: 14 33.424 2.125 0.906 0.880 1.000 0.846 CB 1.659 14 residues pruned to eliminate duplicates Z: 6 3.235 1.721 0.570 0.653 1.000 0.400 CB 0.464 6 residues pruned to eliminate duplicates Z: 16 26.834 2.124 0.612 0.908 0.933 0.867 CA 1.540 16 residues pruned to eliminate duplicates Z: 36 45.775 2.215 1.149 0.625 0.914 0.686 CB 1.580 36 residues pruned to eliminate duplicates Z: 18 17.537 2.020 0.770 0.518 0.824 0.588 CB 1.419 18 residues pruned to eliminate duplicates Z: 15 29.266 2.039 0.763 0.874 1.000 0.786 CB 1.584 15 residues pruned to eliminate duplicates Z: 105 73.601 2.237 0.834 0.595 0.952 0.673 CA 1.688 105 residues pruned to eliminate duplicates Z: 15 20.541 2.059 0.529 0.855 0.929 0.714 CB 1.387 15 residues pruned to eliminate duplicates Z: 15 25.153 2.104 0.778 0.741 1.000 0.500 CA 1.448 15 residues pruned to eliminate duplicates Z: 22 36.050 2.242 1.183 0.549 0.952 0.762 CB 1.609 22 residues pruned to eliminate duplicates Z: 15 27.251 2.176 0.531 0.912 1.000 0.786 CB 1.548 15 residues pruned to eliminate duplicates Z: 11 25.393 2.173 1.046 0.737 1.000 0.900 CB 1.460 11 residues pruned to eliminate duplicates Z: 13 12.671 1.841 0.442 0.839 0.833 0.667 CA 1.235 13 residues pruned to eliminate duplicates Z: 55 65.701 2.292 0.968 0.700 0.981 0.852 CB 1.682 55 residues pruned to eliminate duplicates Z: 7 4.520 1.715 -0.379 0.907 1.000 1.000 CB 1.233 7 residues pruned to eliminate duplicates Z: 15 17.305 2.053 0.312 0.816 0.929 0.500 CB 1.405 15 residues pruned to eliminate duplicates Z: 15 29.754 2.048 0.954 0.935 1.000 0.786 CB 1.385 15 residues pruned to eliminate duplicates Z: 26 45.585 2.225 1.147 0.714 0.960 0.640 CB 1.637 27 residues pruned to eliminate duplicates Z: 15 21.252 1.977 0.659 0.749 1.000 0.500 CA 1.387 15 residues pruned to eliminate duplicates Z: 63 68.909 2.290 1.002 0.630 0.984 0.742 CB 1.716 63 residues pruned to eliminate duplicates Z: 64 55.026 2.246 0.927 0.538 0.937 0.587 CB 1.648 64 residues pruned to eliminate duplicates Z: 11 24.309 2.011 1.193 0.805 1.000 0.800 CB 1.335 11 residues pruned to eliminate duplicates Z: 16 23.392 1.972 0.716 0.890 1.000 0.667 CB 1.284 16 residues pruned to eliminate duplicates Z: 28 42.462 2.215 0.983 0.750 0.963 0.815 CB 1.546 28 residues pruned to eliminate duplicates Z: 11 14.347 1.846 0.599 0.817 1.000 0.600 CB 1.168 11 residues pruned to eliminate duplicates Z: 17 23.489 2.145 0.462 0.879 1.000 0.938 CA 1.358 17 residues pruned to eliminate duplicates Z: 11 9.296 1.854 0.071 0.610 0.900 0.600 CB 1.482 8 residues pruned to eliminate duplicates Z: 62 55.925 2.186 0.848 0.624 0.984 0.754 CB 1.603 62 residues pruned to eliminate duplicates Z: 7 11.334 1.974 0.658 0.812 0.833 0.667 CB 1.293 7 residues pruned to eliminate duplicates Z: 61 60.776 2.243 1.033 0.652 0.950 0.783 CB 1.571 61 residues pruned to eliminate duplicates Z: 11 18.741 1.875 0.991 0.818 1.000 0.600 CB 1.205 11 residues pruned to eliminate duplicates Z: 9 3.297 1.393 0.570 0.360 0.750 0.375 C 0.826 Z: 9 8.002 2.007 0.588 0.389 0.625 0.500 CA 1.597 9 residues pruned to eliminate duplicates Z: 49 57.123 2.267 1.059 0.637 0.938 0.708 CB 1.657 49 residues pruned to eliminate duplicates Z: 16 25.539 2.079 0.654 0.772 1.000 0.600 CB 1.508 16 residues pruned to eliminate duplicates Z: 13 10.847 1.785 0.935 0.564 0.750 0.500 CB 1.136 13 residues pruned to eliminate duplicates Z: 11 15.237 1.980 0.339 0.801 0.900 0.600 CA 1.552 11 residues pruned to eliminate duplicates Z: 29 30.824 2.083 0.829 0.621 0.929 0.429 CB 1.468 29 residues pruned to eliminate duplicates Z: 6 4.103 1.615 -0.145 0.761 1.000 1.000 O 1.054 6 residues pruned to eliminate duplicates Z: 35 50.718 2.260 1.126 0.626 0.971 0.618 CB 1.656 35 residues pruned to eliminate duplicates Z: 14 27.400 2.163 0.860 0.834 0.923 0.462 CB 1.534 14 residues pruned to eliminate duplicates Z: 14 31.108 2.081 1.068 0.843 1.000 0.692 CB 1.492 14 residues pruned to eliminate duplicates Z: 9 6.269 1.812 -0.318 0.730 1.000 0.750 CB 1.457 Z: 36 40.549 2.179 1.040 0.657 0.914 0.571 CB 1.458 34 residues pruned to eliminate duplicates Z: 12 32.567 2.189 1.072 0.929 1.000 0.909 CB 1.515 12 residues pruned to eliminate duplicates Z: 18 10.127 1.559 0.898 0.289 0.824 0.412 CB 1.278 18 residues pruned to eliminate duplicates Z: 34 47.210 2.340 0.938 0.559 0.939 0.636 CB 1.822 34 residues pruned to eliminate duplicates Z: 12 31.623 2.200 1.261 0.669 1.000 0.818 CA 1.640 12 residues pruned to eliminate duplicates Z: 37 32.644 2.109 0.879 0.553 0.833 0.472 CB 1.565 37 residues pruned to eliminate duplicates Z: 14 32.100 2.158 0.908 0.882 1.000 0.846 CB 1.565 14 residues pruned to eliminate duplicates Z: 14 30.769 2.280 0.738 0.931 1.000 1.000 CA 1.505 14 residues pruned to eliminate duplicates Z: 14 20.758 1.980 0.956 0.597 0.923 0.692 CB 1.468 14 residues pruned to eliminate duplicates Z: 40 32.681 2.035 0.910 0.648 0.769 0.385 CB 1.525 40 residues pruned to eliminate duplicates Z: 7 7.092 1.659 0.232 0.720 0.833 0.833 N 1.392 6 residues pruned to eliminate duplicates Z: 7 5.027 1.652 0.217 0.339 1.000 0.667 C 1.217 Z: 16 25.701 2.024 0.615 0.846 1.000 0.800 CA 1.509 16 residues pruned to eliminate duplicates Z: 62 57.720 2.203 0.830 0.612 0.967 0.672 CB 1.705 62 residues pruned to eliminate duplicates Z: 24 30.541 1.942 1.016 0.867 0.957 0.696 CB 1.244 24 residues pruned to eliminate duplicates Z: 6 7.888 1.840 0.613 0.600 0.800 0.400 N 1.350 6 residues pruned to eliminate duplicates Z: 18 21.145 2.019 0.604 0.748 0.882 0.588 CA 1.439 18 residues pruned to eliminate duplicates Z: 56 56.611 2.251 0.807 0.669 1.000 0.673 CB 1.606 56 residues pruned to eliminate duplicates Z: 63 62.196 2.250 0.967 0.592 0.968 0.677 CB 1.690 63 residues pruned to eliminate duplicates Z: 62 64.092 2.246 1.020 0.626 0.934 0.689 CB 1.718 62 residues pruned to eliminate duplicates Z: 8 6.399 1.598 0.801 0.363 0.857 0.571 CB 1.136 8 residues pruned to eliminate duplicates Z: 15 14.740 1.890 0.687 0.629 0.929 0.714 CB 1.178 17 residues pruned to eliminate duplicates Z: 11 9.086 1.790 0.958 0.436 0.800 0.700 CB 1.095 11 residues pruned to eliminate duplicates Z: 11 18.210 1.911 0.823 0.855 1.000 0.700 CB 1.220 11 residues pruned to eliminate duplicates Z: 15 32.983 2.132 0.931 0.945 0.929 0.429 CB 1.595 15 residues pruned to eliminate duplicates Z: 16 27.318 2.052 0.865 0.927 1.000 0.867 CB 1.292 16 residues pruned to eliminate duplicates Z: 11 7.505 1.800 0.185 0.461 0.900 0.600 CB 1.286 11 residues pruned to eliminate duplicates Z: 13 20.150 2.050 0.586 0.930 1.000 1.000 CB 1.251 13 residues pruned to eliminate duplicates Z: 16 28.382 2.083 0.726 0.929 1.000 0.867 CB 1.427 16 residues pruned to eliminate duplicates Z: 17 16.911 1.828 0.322 0.831 0.938 0.750 CB 1.403 17 residues pruned to eliminate duplicates Z: 17 20.384 2.030 0.504 0.863 0.938 0.812 CA 1.306 17 residues pruned to eliminate duplicates Z: 19 26.198 2.068 1.054 0.554 0.889 0.778 CA 1.551 19 residues pruned to eliminate duplicates Z: 23 37.440 2.249 1.000 0.660 0.955 0.682 CB 1.602 23 residues pruned to eliminate duplicates Z: 26 37.827 2.201 1.115 0.626 0.920 0.520 CB 1.568 26 residues pruned to eliminate duplicates Z: 16 27.449 2.118 0.668 0.909 1.000 0.800 CB 1.424 16 residues pruned to eliminate duplicates Z: 7 5.977 1.561 0.130 0.664 1.000 0.667 CB 1.189 Z: 10 11.310 1.844 0.511 0.813 0.778 0.556 CB 1.324 10 residues pruned to eliminate duplicates Z: 50 57.096 2.281 1.051 0.632 0.939 0.714 CB 1.641 50 residues pruned to eliminate duplicates Z: 11 9.586 1.686 0.503 0.663 0.900 0.700 C 1.143 11 residues pruned to eliminate duplicates Z: 25 33.229 2.284 1.200 0.477 0.875 0.667 CB 1.579 25 residues pruned to eliminate duplicates Z: 8 5.780 1.794 0.996 0.669 0.857 0.857 CB 0.609 Z: 14 25.930 1.982 0.926 0.855 0.923 0.769 CB 1.507 14 residues pruned to eliminate duplicates Z: 9 4.593 1.520 0.023 0.514 0.875 0.750 CA 1.177 8 residues pruned to eliminate duplicates Z: 53 57.559 2.277 0.922 0.629 0.981 0.731 CB 1.647 53 residues pruned to eliminate duplicates Z: 9 4.847 1.726 0.362 0.332 0.625 0.500 CA 1.401 9 residues pruned to eliminate duplicates Z: 57 67.079 2.283 0.980 0.654 1.000 0.786 CB 1.718 57 residues pruned to eliminate duplicates Z: 26 44.469 2.295 1.259 0.774 0.840 0.520 CB 1.602 26 residues pruned to eliminate duplicates Z: 6 3.602 1.594 0.043 0.428 1.000 0.800 CB 1.044 6 1.585 1.292 0.633 0.360 0.400 0.400 C 0.977 ? Z: 38 41.591 2.139 1.017 0.697 0.838 0.514 CB 1.580 38 residues pruned to eliminate duplicates Z: 69 53.983 2.235 0.849 0.561 0.926 0.721 CB 1.612 69 residues pruned to eliminate duplicates Z: 10 7.253 1.851 0.139 0.811 0.778 0.667 CB 1.125 Z: 56 59.385 2.264 0.894 0.665 0.964 0.727 CB 1.663 56 residues pruned to eliminate duplicates Z: 12 4.920 1.577 0.140 0.616 0.818 0.545 CB 0.904 6 residues pruned to eliminate duplicates Z: 15 30.019 2.112 0.843 0.944 0.929 0.857 CA 1.537 15 residues pruned to eliminate duplicates Z: 8 5.672 1.837 -0.290 0.714 1.000 0.714 CB 1.354 8 residues pruned to eliminate duplicates Z: 6 8.953 1.913 -0.010 0.761 1.000 0.800 CB 1.677 5 residues pruned to eliminate duplicates Z: 30 28.328 2.101 0.885 0.425 0.897 0.586 CB 1.601 30 residues pruned to eliminate duplicates Z: 15 29.194 2.127 0.747 0.933 0.929 0.786 CB 1.577 15 residues pruned to eliminate duplicates Z: 12 25.488 2.048 1.348 0.808 0.909 0.818 CB 1.344 12 residues pruned to eliminate duplicates Z: 62 60.956 2.269 0.837 0.621 0.984 0.689 CB 1.698 69 residues pruned to eliminate duplicates Z: 24 20.365 1.872 0.706 0.813 0.870 0.696 CB 1.165 24 residues pruned to eliminate duplicates Z: 15 23.114 2.172 0.493 0.871 0.929 0.857 CB 1.497 15 residues pruned to eliminate duplicates Z: 9 3.085 1.521 0.019 0.457 0.875 0.500 CB 0.841 Z: 15 34.441 2.149 0.889 0.940 1.000 0.929 CA 1.575 15 residues pruned to eliminate duplicates Z: 6 9.801 1.457 1.018 0.769 1.000 1.000 CA 1.175 Z: 6 7.097 1.816 0.595 0.601 0.800 0.600 CA 1.245 Z: 38 41.461 2.063 1.106 0.654 0.865 0.622 CB 1.572 38 residues pruned to eliminate duplicates Z: 69 63.629 2.253 1.008 0.615 0.956 0.809 CB 1.601 69 residues pruned to eliminate duplicates Z: 31 49.725 2.263 1.125 0.646 0.967 0.800 CB 1.704 31 residues pruned to eliminate duplicates 6 1.949 1.458 0.579 0.540 0.800 0.600 C 0.455 ? Z: 54 51.347 2.210 0.933 0.585 0.962 0.679 CB 1.581 103 residues pruned to eliminate duplicates Z: 17 20.152 2.147 0.616 0.703 0.812 0.438 CA 1.486 17 residues pruned to eliminate duplicates Z: 20 11.473 1.832 0.878 0.321 0.737 0.263 CB 1.265 20 residues pruned to eliminate duplicates Z: 15 23.901 2.092 0.779 0.778 0.857 0.500 CA 1.568 15 residues pruned to eliminate duplicates Z: 129 87.742 2.305 0.932 0.591 0.938 0.648 CB 1.702 129 residues pruned to eliminate duplicates Z: 6 2.666 1.394 0.085 0.385 1.000 0.400 N 0.891 Z: 68 55.255 2.210 0.794 0.584 0.970 0.701 CB 1.618 121 residues pruned to eliminate duplicates Z: 20 24.885 2.175 0.726 0.492 1.000 0.789 CB 1.534 20 residues pruned to eliminate duplicates Z: 8 4.199 1.827 -0.403 0.628 0.857 0.429 C 1.505 8 residues pruned to eliminate duplicates Z: 55 68.655 2.315 1.025 0.661 0.963 0.704 CB 1.782 55 residues pruned to eliminate duplicates Z: 22 21.959 2.134 0.652 0.433 0.905 0.524 CB 1.610 22 residues pruned to eliminate duplicates Z: 8 6.095 1.758 0.637 0.435 0.857 0.714 CB 0.999 Z: 13 21.728 2.071 1.191 0.846 0.750 0.500 CB 1.370 13 residues pruned to eliminate duplicates Z: 14 28.624 1.983 1.058 0.883 0.923 0.846 CA 1.524 Z: 48 57.540 2.320 1.019 0.623 0.936 0.723 CB 1.704 48 residues pruned to eliminate duplicates Z: 62 61.736 2.254 0.943 0.585 0.951 0.607 CB 1.750 62 residues pruned to eliminate duplicates Z: 7 7.922 1.865 0.390 0.569 1.000 0.833 CB 1.167 7 residues pruned to eliminate duplicates Z: 16 28.807 2.112 0.888 0.780 0.933 0.533 CA 1.562 16 residues pruned to eliminate duplicates Z: 57 59.459 2.275 0.890 0.673 0.982 0.750 CB 1.603 57 residues pruned to eliminate duplicates Z: 16 23.570 2.093 0.442 0.910 1.000 0.933 CB 1.431 16 residues pruned to eliminate duplicates Z: 13 31.120 2.186 1.422 0.697 0.917 0.917 CA 1.546 Z: 11 13.607 2.004 0.414 0.818 0.800 0.600 CB 1.440 11 residues pruned to eliminate duplicates Z: 9 11.109 1.754 0.477 0.708 0.875 0.750 CB 1.434 9 residues pruned to eliminate duplicates Z: 57 61.802 2.346 0.900 0.628 0.982 0.661 CA 1.672 57 residues pruned to eliminate duplicates Z: 16 27.104 1.882 0.907 0.890 1.000 0.667 CA 1.403 16 residues pruned to eliminate duplicates Z: 10 4.194 1.756 0.525 0.270 0.667 0.667 CB 1.018 Z: 7 4.761 1.625 -0.158 0.826 1.000 1.000 CB 1.071 9 residues pruned to eliminate duplicates Z: 14 28.383 2.177 0.703 0.920 1.000 0.846 CB 1.495 14 residues pruned to eliminate duplicates Z: 61 59.417 2.245 0.805 0.651 1.000 0.800 CB 1.644 61 residues pruned to eliminate duplicates Z: 11 12.168 1.916 0.340 0.774 0.800 0.500 CA 1.470 11 residues pruned to eliminate duplicates Z: 8 2.776 1.453 0.491 0.309 0.857 0.714 CB 0.698 8 residues pruned to eliminate duplicates Z: 6 3.800 1.470 0.297 0.334 1.000 0.400 CB 1.069 6 residues pruned to eliminate duplicates Z: 65 62.812 2.211 0.959 0.601 0.984 0.656 CB 1.672 65 residues pruned to eliminate duplicates Z: 41 36.343 2.080 0.877 0.606 0.850 0.525 CB 1.565 41 residues pruned to eliminate duplicates Z: 9 3.659 1.388 0.634 0.483 0.750 0.750 C 0.774 Z: 6 4.417 1.752 -0.156 0.458 1.000 0.600 O 1.394 6 residues pruned to eliminate duplicates Z: 15 6.881 1.660 0.610 0.203 0.929 0.643 CB 1.054 17 residues pruned to eliminate duplicates Z: 14 23.916 1.985 0.815 0.883 1.000 0.538 CB 1.332 Z: 13 13.484 1.868 0.362 0.836 0.917 0.667 CA 1.249 13 residues pruned to eliminate duplicates Z: 9 4.133 1.518 -0.023 0.644 0.875 0.500 CB 0.984 Z: 15 13.041 1.927 0.204 0.804 0.857 0.500 CB 1.344 15 residues pruned to eliminate duplicates Z: 11 3.973 1.660 -0.328 0.668 0.900 0.700 CB 1.071 11 residues pruned to eliminate duplicates Z: 66 55.464 2.211 0.892 0.559 0.969 0.615 CB 1.602 66 residues pruned to eliminate duplicates Z: 14 29.396 2.085 1.060 0.946 1.000 0.846 CB 1.313 14 residues pruned to eliminate duplicates Z: 9 5.599 1.581 0.560 0.292 0.750 0.500 CB 1.351 6 residues pruned to eliminate duplicates Z: 56 69.875 2.380 0.984 0.651 0.982 0.745 CA 1.765 56 residues pruned to eliminate duplicates Z: 8 3.872 1.486 0.650 0.469 1.000 0.571 CB 0.616 8 residues pruned to eliminate duplicates Z: 35 51.750 2.345 1.065 0.619 0.941 0.853 CB 1.740 35 residues pruned to eliminate duplicates Z: 7 3.385 1.626 -0.043 0.639 1.000 0.667 CB 0.780 7 residues pruned to eliminate duplicates Z: 18 12.807 1.772 0.586 0.596 0.824 0.706 CB 1.225 Z: 13 14.076 1.781 1.074 0.542 0.833 0.500 CB 1.267 Z: 65 51.248 2.200 0.677 0.569 0.953 0.688 CB 1.705 65 residues pruned to eliminate duplicates Z: 21 43.395 2.414 1.162 0.689 0.950 0.400 CB 1.646 34 residues pruned to eliminate duplicates Z: 6 4.916 1.646 -0.205 0.874 1.000 1.000 CB 1.223 5 residues pruned to eliminate duplicates Z: 55 65.328 2.260 1.006 0.670 0.981 0.778 CB 1.708 55 residues pruned to eliminate duplicates Z: 10 34.844 2.203 1.431 0.839 1.000 1.000 CA 1.620 10 residues pruned to eliminate duplicates Z: 16 14.114 1.935 0.317 0.734 0.800 0.533 CA 1.448 16 residues pruned to eliminate duplicates Z: 22 15.571 1.867 0.897 0.470 0.810 0.571 CB 1.222 16 residues pruned to eliminate duplicates Z: 97 78.768 2.297 1.020 0.597 0.927 0.688 CB 1.704 97 residues pruned to eliminate duplicates Z: 40 43.046 2.189 1.089 0.485 0.974 0.641 CB 1.571 40 residues pruned to eliminate duplicates Z: 43 53.155 2.282 1.069 0.638 0.976 0.690 CA 1.563 43 residues pruned to eliminate duplicates Z: 34 40.205 2.177 1.119 0.624 0.879 0.576 CB 1.535 45 residues pruned to eliminate duplicates Z: 63 61.345 2.253 0.892 0.608 0.984 0.742 CB 1.676 63 residues pruned to eliminate duplicates Z: 60 57.485 2.230 0.755 0.618 1.000 0.746 CB 1.711 60 residues pruned to eliminate duplicates Z: 43 40.023 2.069 1.096 0.619 0.833 0.524 CB 1.526 47 residues pruned to eliminate duplicates Z: 11 28.250 2.367 1.159 0.783 0.900 0.800 CB 1.514 11 residues pruned to eliminate duplicates Z: 11 6.235 1.773 0.783 0.338 0.700 0.400 CB 1.063 11 residues pruned to eliminate duplicates Z: 30 40.933 2.172 0.981 0.677 0.966 0.690 CB 1.554 30 residues pruned to eliminate duplicates Z: 12 9.105 1.610 0.767 0.512 0.909 0.545 CB 1.049 19 residues pruned to eliminate duplicates Z: 18 38.141 2.390 1.077 0.697 1.000 0.941 CA 1.557 18 residues pruned to eliminate duplicates Z: 81 57.390 2.194 0.943 0.541 0.900 0.637 CB 1.607 81 residues pruned to eliminate duplicates Z: 6 4.856 1.733 0.350 0.519 1.000 0.800 CB 0.911 Z: 23 28.897 1.964 0.762 0.838 0.955 0.545 CB 1.394 23 residues pruned to eliminate duplicates Z: 11 19.980 2.072 1.166 0.645 0.900 0.700 CA 1.367 10 residues pruned to eliminate duplicates Z: 30 47.515 2.296 1.130 0.699 0.966 0.759 CA 1.558 30 residues pruned to eliminate duplicates Z: 18 30.233 2.316 1.206 0.516 0.824 0.706 CA 1.715 18 residues pruned to eliminate duplicates Z: 16 15.478 1.906 0.315 0.799 0.867 0.600 CA 1.416 16 residues pruned to eliminate duplicates Z: 11 20.379 1.991 0.937 0.755 1.000 0.600 CB 1.331 11 residues pruned to eliminate duplicates Z: 28 37.141 2.134 1.151 0.697 0.815 0.556 CB 1.597 14 residues pruned to eliminate duplicates Z: 26 28.576 2.062 0.897 0.553 0.960 0.560 CB 1.446 18 residues pruned to eliminate duplicates Z: 13 20.356 2.000 0.950 0.636 0.917 0.833 CA 1.447 13 residues pruned to eliminate duplicates Z: 74 59.255 2.183 0.966 0.539 0.918 0.644 CB 1.694 74 residues pruned to eliminate duplicates Z: 12 5.577 1.713 0.464 0.291 0.909 0.727 CB 0.932 12 residues pruned to eliminate duplicates Z: 34 51.650 2.222 0.964 0.733 1.000 0.848 CB 1.671 34 residues pruned to eliminate duplicates Z: 6 6.132 1.396 0.400 0.692 1.000 0.600 CA 1.177 Z: 12 39.309 2.384 1.345 0.660 1.000 0.909 CB 1.828 12 residues pruned to eliminate duplicates Z: 7 3.558 1.456 0.332 0.357 0.833 0.667 CB 1.048 Z: 15 17.601 2.115 0.473 0.873 0.929 0.929 CA 1.184 15 residues pruned to eliminate duplicates Z: 8 10.926 1.926 1.361 0.676 1.000 0.714 CB 0.772 Z: 11 18.862 1.919 0.653 0.841 1.000 0.700 CA 1.402 11 residues pruned to eliminate duplicates Z: 13 25.179 2.212 0.905 0.706 0.917 0.833 CB 1.561 13 residues pruned to eliminate duplicates Z: 35 35.341 2.033 0.998 0.574 0.941 0.647 CB 1.477 35 residues pruned to eliminate duplicates Z: 20 34.755 2.261 1.036 0.572 0.947 0.632 CB 1.707 20 residues pruned to eliminate duplicates Z: 6 2.949 1.338 0.521 0.399 0.800 0.400 CA 0.901 Z: 10 7.118 1.757 -0.074 0.656 0.889 0.889 CB 1.419 Z: 7 8.370 1.754 0.549 0.584 0.833 0.833 CB 1.392 13 residues pruned to eliminate duplicates Z: 8 4.290 1.593 0.214 0.508 0.714 0.714 O 1.164 8 residues pruned to eliminate duplicates Z: 29 30.976 2.109 0.995 0.468 0.929 0.607 CB 1.548 29 residues pruned to eliminate duplicates Z: 25 23.414 2.131 0.803 0.457 0.833 0.583 CB 1.561 25 residues pruned to eliminate duplicates Z: 52 64.112 2.325 0.985 0.700 0.961 0.725 CA 1.687 52 residues pruned to eliminate duplicates Z: 11 25.425 2.044 1.012 0.863 1.000 0.800 CB 1.434 11 residues pruned to eliminate duplicates Z: 69 60.833 2.256 1.001 0.602 0.912 0.735 CB 1.627 69 residues pruned to eliminate duplicates Z: 9 3.549 1.602 0.456 0.466 0.875 0.500 CB 0.637 9 residues pruned to eliminate duplicates Z: 7 3.577 1.554 0.087 0.552 0.833 0.833 C 0.986 7 residues pruned to eliminate duplicates Z: 41 49.332 2.179 0.912 0.705 0.975 0.725 CB 1.593 41 residues pruned to eliminate duplicates Z: 14 12.978 1.885 0.404 0.838 0.769 0.538 CA 1.322 14 residues pruned to eliminate duplicates Z: 8 10.264 2.071 0.406 0.423 0.857 0.571 CA 1.683 8 residues pruned to eliminate duplicates Z: 31 43.768 2.295 0.993 0.519 0.967 0.633 CA 1.774 31 residues pruned to eliminate duplicates Z: 11 12.482 1.938 0.160 0.854 0.900 0.700 CB 1.441 11 residues pruned to eliminate duplicates Z: 22 17.243 1.917 0.603 0.536 0.857 0.667 CB 1.379 22 residues pruned to eliminate duplicates Z: 23 28.475 1.884 0.845 0.832 0.864 0.591 CB 1.518 23 residues pruned to eliminate duplicates Z: 11 15.431 2.023 0.641 0.784 0.700 0.400 CA 1.636 11 residues pruned to eliminate duplicates Z: 61 55.872 2.225 0.874 0.588 0.950 0.617 CB 1.675 61 residues pruned to eliminate duplicates Z: 8 3.367 1.574 0.523 0.651 0.857 0.571 N 0.538 Z: 7 6.565 1.416 0.756 0.675 0.833 0.667 CA 1.100 7 residues pruned to eliminate duplicates Z: 6 3.229 1.609 0.370 0.624 0.800 0.400 CB 0.729 6 residues pruned to eliminate duplicates Z: 13 28.901 2.204 0.874 0.885 0.917 0.917 CB 1.590 15 residues pruned to eliminate duplicates Z: 14 32.159 2.138 1.112 0.882 0.923 0.846 CB 1.549 14 residues pruned to eliminate duplicates Z: 8 2.153 1.296 0.619 0.318 0.714 0.429 CB 0.664 Z: 14 25.323 2.315 1.228 0.537 0.846 0.692 CB 1.552 14 residues pruned to eliminate duplicates Z: 52 49.587 2.165 0.864 0.620 0.961 0.706 CB 1.599 52 residues pruned to eliminate duplicates Z: 13 34.741 2.202 1.043 0.896 1.000 0.750 CB 1.597 13 residues pruned to eliminate duplicates Z: 12 15.968 1.817 0.687 0.742 1.000 0.545 CB 1.264 Z: 17 23.281 2.120 0.955 0.645 0.812 0.562 CB 1.509 17 residues pruned to eliminate duplicates Z: 15 20.958 2.120 0.827 0.695 0.857 0.500 CB 1.412 15 residues pruned to eliminate duplicates Z: 6 4.352 1.453 0.536 0.471 0.800 0.600 CA 1.123 Z: 38 47.079 2.284 0.977 0.611 0.946 0.865 CB 1.632 38 residues pruned to eliminate duplicates Z: 8 3.253 1.639 0.361 0.350 0.714 0.286 CB 0.908 Z: 46 62.844 2.368 1.127 0.602 0.978 0.711 CA 1.727 46 residues pruned to eliminate duplicates Z: 9 3.324 1.627 0.525 0.182 0.750 0.375 CB 0.927 Z: 6 5.646 1.744 -0.186 0.721 1.000 0.600 C 1.456 Z: 48 47.788 2.146 1.035 0.640 0.915 0.702 CB 1.531 48 residues pruned to eliminate duplicates Z: 6 2.288 1.359 0.678 0.372 0.600 0.400 O 0.858 Z: 49 67.552 2.405 1.016 0.698 0.979 0.771 CB 1.715 49 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 15 33.049 2.254 1.445 0.644 0.857 0.571 CB 1.634 15 residues pruned to eliminate duplicates Z: 27 49.014 2.192 1.309 0.732 0.923 0.500 CB 1.670 27 residues pruned to eliminate duplicates Z: 6 7.113 1.790 0.872 0.424 1.000 0.600 CA 1.027 6 residues pruned to eliminate duplicates Z: 18 24.233 2.027 1.110 0.570 0.824 0.647 CB 1.560 18 residues pruned to eliminate duplicates Z: 15 33.673 2.239 1.414 0.637 0.857 0.786 CB 1.707 15 residues pruned to eliminate duplicates Z: 28 37.560 2.163 1.225 0.715 0.778 0.556 CB 1.590 28 residues pruned to eliminate duplicates Z: 21 28.837 2.124 0.990 0.606 0.850 0.400 CB 1.623 21 residues pruned to eliminate duplicates Z: 38 33.536 2.072 1.035 0.576 0.811 0.486 CB 1.500 38 residues pruned to eliminate duplicates Z: 28 41.526 2.166 1.225 0.686 0.852 0.481 CB 1.642 28 residues pruned to eliminate duplicates Z: 39 41.557 2.086 1.064 0.636 0.921 0.658 CB 1.496 39 residues pruned to eliminate duplicates Z: 38 51.570 2.186 1.133 0.693 0.919 0.649 CB 1.659 40 residues pruned to eliminate duplicates Z: 11 10.972 1.874 0.369 0.767 0.800 0.800 CA 1.334 11 residues pruned to eliminate duplicates Z: 28 33.857 2.186 0.823 0.672 0.852 0.667 CB 1.638 28 residues pruned to eliminate duplicates Z: 40 33.585 2.017 0.948 0.634 0.821 0.692 CB 1.471 40 residues pruned to eliminate duplicates Z: 14 12.074 1.896 0.496 0.603 0.769 0.462 CB 1.392 14 residues pruned to eliminate duplicates Z: 34 30.003 2.106 0.780 0.590 0.818 0.545 CB 1.563 34 residues pruned to eliminate duplicates Z: 21 13.934 1.867 0.447 0.434 0.900 0.500 CB 1.372 21 residues pruned to eliminate duplicates Z: 46 41.247 2.116 0.879 0.638 0.911 0.689 CB 1.491 46 residues pruned to eliminate duplicates Z: 41 42.467 2.148 0.961 0.641 0.875 0.650 CB 1.597 41 residues pruned to eliminate duplicates Z: 42 28.741 2.020 0.700 0.473 0.902 0.512 CB 1.488 42 residues pruned to eliminate duplicates Z: 42 38.261 2.129 0.856 0.592 0.878 0.634 CB 1.577 42 residues pruned to eliminate duplicates Z: 38 39.126 2.134 0.804 0.643 0.919 0.649 CB 1.591 38 residues pruned to eliminate duplicates Z: 6 5.648 1.783 0.741 0.469 0.800 0.600 CA 1.049 6 residues pruned to eliminate duplicates Z: 17 13.316 1.934 1.085 0.297 0.812 0.312 CB 1.276 17 residues pruned to eliminate duplicates Z: 14 11.735 1.899 1.276 0.301 0.769 0.462 CB 1.222 14 residues pruned to eliminate duplicates Z: 66 58.954 2.199 0.908 0.613 0.985 0.738 CB 1.591 66 residues pruned to eliminate duplicates Z: 62 56.760 2.227 0.926 0.604 0.951 0.803 CB 1.613 62 residues pruned to eliminate duplicates Z: 58 58.122 2.248 0.895 0.634 0.965 0.789 CB 1.651 58 residues pruned to eliminate duplicates Z: 62 60.868 2.257 0.932 0.619 0.967 0.721 CB 1.651 62 residues pruned to eliminate duplicates Z: 59 58.200 2.277 0.843 0.648 0.966 0.793 CB 1.644 59 residues pruned to eliminate duplicates Z: 65 57.456 2.254 0.837 0.607 0.969 0.734 CB 1.618 65 residues pruned to eliminate duplicates Z: 66 65.430 2.293 1.028 0.607 0.954 0.738 CB 1.653 66 residues pruned to eliminate duplicates Z: 63 59.557 2.229 0.915 0.612 0.968 0.774 CB 1.647 63 residues pruned to eliminate duplicates Z: 70 61.012 2.235 1.065 0.563 0.928 0.725 CB 1.613 77 residues pruned to eliminate duplicates Z: 66 62.071 2.262 0.984 0.597 0.969 0.754 CB 1.613 66 residues pruned to eliminate duplicates Z: 70 58.299 2.217 0.937 0.572 0.957 0.754 CB 1.593 70 residues pruned to eliminate duplicates Z: 55 63.399 2.285 0.963 0.676 1.000 0.796 CB 1.637 55 residues pruned to eliminate duplicates Z: 64 58.521 2.265 0.854 0.637 0.952 0.778 CB 1.621 64 residues pruned to eliminate duplicates Z: 40 38.261 2.071 0.683 0.683 0.923 0.821 CB 1.610 40 residues pruned to eliminate duplicates Z: 67 62.978 2.264 1.012 0.598 0.939 0.712 CB 1.650 67 residues pruned to eliminate duplicates Z: 65 57.793 2.240 0.850 0.613 0.969 0.734 CB 1.616 65 residues pruned to eliminate duplicates Z: 67 57.127 2.196 0.985 0.593 0.939 0.742 CB 1.571 67 residues pruned to eliminate duplicates Z: 65 56.446 2.234 0.851 0.600 0.969 0.719 CB 1.601 65 residues pruned to eliminate duplicates Z: 60 57.005 2.248 0.934 0.628 0.949 0.729 CB 1.595 60 residues pruned to eliminate duplicates Z: 60 62.719 2.251 1.056 0.652 0.932 0.763 CB 1.642 60 residues pruned to eliminate duplicates Z: 71 59.052 2.191 0.906 0.596 0.957 0.800 CB 1.611 71 residues pruned to eliminate duplicates Z: 62 60.941 2.247 0.947 0.616 0.984 0.770 CB 1.624 62 residues pruned to eliminate duplicates Z: 65 56.066 2.242 0.912 0.610 0.938 0.719 CB 1.572 65 residues pruned to eliminate duplicates Z: 42 55.178 2.253 1.126 0.657 0.951 0.902 CB 1.635 42 residues pruned to eliminate duplicates Z: 62 63.490 2.251 0.977 0.626 0.984 0.770 CB 1.649 62 residues pruned to eliminate duplicates Z: 68 60.479 2.210 0.962 0.644 0.940 0.791 CB 1.584 68 residues pruned to eliminate duplicates Z: 62 60.058 2.226 0.960 0.627 0.967 0.689 CB 1.617 62 residues pruned to eliminate duplicates Z: 70 56.586 2.205 0.959 0.564 0.942 0.652 CB 1.573 70 residues pruned to eliminate duplicates Z: 55 62.134 2.243 1.049 0.651 1.000 0.704 CB 1.599 55 residues pruned to eliminate duplicates Z: 64 64.418 2.277 1.009 0.614 0.968 0.714 CB 1.644 64 residues pruned to eliminate duplicates Z: 62 57.099 2.237 0.898 0.603 0.951 0.689 CB 1.642 62 residues pruned to eliminate duplicates Z: 71 62.156 2.242 1.034 0.587 0.943 0.686 CB 1.589 71 residues pruned to eliminate duplicates Z: 66 61.423 2.213 0.981 0.602 0.985 0.738 CB 1.602 66 residues pruned to eliminate duplicates Z: 69 61.818 2.229 1.058 0.571 0.956 0.662 CB 1.595 69 residues pruned to eliminate duplicates Z: 65 65.772 2.286 1.025 0.615 0.969 0.766 CB 1.644 65 residues pruned to eliminate duplicates Z: 64 51.933 2.206 0.900 0.592 0.952 0.794 CB 1.501 64 residues pruned to eliminate duplicates Z: 64 63.521 2.207 1.017 0.628 0.984 0.714 CB 1.619 64 residues pruned to eliminate duplicates Z: 69 59.779 2.237 0.959 0.582 0.956 0.750 CB 1.599 69 residues pruned to eliminate duplicates Z: 66 63.418 2.237 1.025 0.611 0.985 0.723 CB 1.587 66 residues pruned to eliminate duplicates Z: 63 64.942 2.243 1.027 0.632 0.984 0.806 CB 1.628 63 residues pruned to eliminate duplicates Z: 61 61.773 2.245 0.978 0.626 0.983 0.783 CB 1.623 61 residues pruned to eliminate duplicates Z: 71 60.338 2.214 0.993 0.578 0.943 0.714 CB 1.608 71 residues pruned to eliminate duplicates Z: 70 57.148 2.207 0.922 0.587 0.942 0.739 CB 1.584 70 residues pruned to eliminate duplicates Z: 70 57.575 2.225 0.894 0.596 0.942 0.667 CB 1.594 70 residues pruned to eliminate duplicates Z: 69 61.146 2.267 0.961 0.595 0.971 0.765 CB 1.569 69 residues pruned to eliminate duplicates Z: 65 62.409 2.240 0.981 0.617 0.969 0.734 CB 1.624 65 residues pruned to eliminate duplicates Z: 66 63.407 2.228 1.069 0.609 0.954 0.677 CB 1.613 66 residues pruned to eliminate duplicates Z: 67 62.330 2.263 0.945 0.620 0.970 0.742 CB 1.605 67 residues pruned to eliminate duplicates Z: 65 66.876 2.277 1.085 0.627 0.953 0.797 CB 1.638 65 residues pruned to eliminate duplicates Z: 59 59.502 2.261 0.978 0.646 0.948 0.793 CB 1.608 59 residues pruned to eliminate duplicates Z: 69 63.327 2.256 1.024 0.595 0.956 0.750 CB 1.607 70 residues pruned to eliminate duplicates Z: 7 6.762 1.708 0.497 0.479 0.833 0.500 CA 1.324 7 residues pruned to eliminate duplicates Z: 55 59.342 2.273 0.940 0.669 0.981 0.778 CB 1.596 55 residues pruned to eliminate duplicates Z: 66 61.501 2.250 0.970 0.618 0.954 0.800 CB 1.614 66 residues pruned to eliminate duplicates Z: 66 64.895 2.265 1.049 0.612 0.954 0.738 CB 1.636 66 residues pruned to eliminate duplicates Z: 65 60.445 2.234 0.976 0.600 0.969 0.766 CB 1.607 65 residues pruned to eliminate duplicates Z: 62 58.977 2.237 0.995 0.603 0.934 0.705 CB 1.642 62 residues pruned to eliminate duplicates Z: 57 60.099 2.237 1.000 0.653 1.000 0.732 CB 1.556 57 residues pruned to eliminate duplicates Z: 56 58.902 2.235 0.959 0.654 1.000 0.745 CB 1.572 56 residues pruned to eliminate duplicates Z: 11 27.684 2.142 1.322 0.705 0.900 0.800 CB 1.622 11 residues pruned to eliminate duplicates Z: 14 32.651 2.060 1.273 0.709 1.000 0.846 CB 1.600 14 residues pruned to eliminate duplicates Z: 39 41.187 2.079 1.027 0.690 0.868 0.605 CB 1.534 39 residues pruned to eliminate duplicates Z: 46 43.643 2.137 1.030 0.621 0.867 0.644 CB 1.544 46 residues pruned to eliminate duplicates Z: 50 54.642 2.230 1.171 0.654 0.857 0.592 CB 1.630 36 residues pruned to eliminate duplicates Z: 6 7.908 1.939 1.145 0.280 0.800 0.800 CA 1.363 6 residues pruned to eliminate duplicates Z: 38 45.637 2.169 1.021 0.693 0.892 0.649 CB 1.609 38 residues pruned to eliminate duplicates Z: 34 36.724 2.167 1.074 0.612 0.818 0.545 CB 1.562 34 residues pruned to eliminate duplicates Z: 47 38.805 2.145 0.914 0.595 0.870 0.478 CB 1.464 47 residues pruned to eliminate duplicates Z: 38 41.135 2.168 0.958 0.659 0.865 0.568 CB 1.590 38 residues pruned to eliminate duplicates Z: 13 35.722 2.235 1.486 0.756 0.917 0.833 CB 1.612 13 residues pruned to eliminate duplicates Z: 38 42.811 2.177 0.925 0.654 0.919 0.514 CB 1.583 38 residues pruned to eliminate duplicates Z: 37 44.484 2.201 1.048 0.664 0.889 0.583 CB 1.589 37 residues pruned to eliminate duplicates Z: 21 33.128 2.162 1.053 0.621 0.900 0.500 CB 1.655 21 residues pruned to eliminate duplicates Z: 29 34.313 2.178 0.890 0.652 0.893 0.607 CB 1.531 29 residues pruned to eliminate duplicates Z: 29 30.722 2.118 0.832 0.615 0.857 0.500 CA 1.566 29 residues pruned to eliminate duplicates Z: 35 46.919 2.222 1.000 0.695 0.941 0.647 CB 1.610 35 residues pruned to eliminate duplicates Z: 27 46.436 2.255 1.190 0.702 1.000 0.615 CB 1.535 27 residues pruned to eliminate duplicates Z: 46 40.200 2.099 0.930 0.610 0.889 0.444 CB 1.499 46 residues pruned to eliminate duplicates Z: 39 40.162 2.151 0.815 0.655 0.868 0.579 CB 1.663 39 residues pruned to eliminate duplicates Z: 31 25.781 2.101 0.736 0.619 0.800 0.433 CB 1.441 31 residues pruned to eliminate duplicates Z: 61 59.008 2.252 0.903 0.598 0.983 0.767 CB 1.646 61 residues pruned to eliminate duplicates Z: 58 57.138 2.220 0.873 0.661 0.982 0.754 CB 1.596 58 residues pruned to eliminate duplicates Z: 71 58.488 2.236 0.976 0.561 0.943 0.686 CB 1.581 71 residues pruned to eliminate duplicates Z: 59 58.804 2.286 0.927 0.626 0.948 0.672 CB 1.642 59 residues pruned to eliminate duplicates Z: 68 61.005 2.253 0.925 0.594 0.955 0.687 CB 1.643 68 residues pruned to eliminate duplicates Z: 54 41.612 2.107 0.713 0.606 0.943 0.585 CB 1.519 62 residues pruned to eliminate duplicates Z: 60 59.659 2.265 0.937 0.626 0.949 0.695 CB 1.656 60 residues pruned to eliminate duplicates Z: 68 58.402 2.241 0.875 0.579 0.955 0.657 CB 1.648 68 residues pruned to eliminate duplicates Z: 65 63.660 2.295 0.897 0.596 0.984 0.703 CB 1.694 65 residues pruned to eliminate duplicates Z: 63 59.643 2.302 0.902 0.591 0.952 0.774 CB 1.667 63 residues pruned to eliminate duplicates Z: 66 62.844 2.284 0.949 0.608 0.938 0.754 CB 1.685 66 residues pruned to eliminate duplicates Z: 66 64.963 2.272 0.960 0.594 0.985 0.723 CB 1.680 66 residues pruned to eliminate duplicates Z: 62 51.160 2.172 0.906 0.608 0.902 0.672 CB 1.584 62 residues pruned to eliminate duplicates Z: 67 60.497 2.262 0.928 0.587 0.955 0.727 CB 1.645 67 residues pruned to eliminate duplicates Z: 67 59.920 2.273 0.873 0.588 0.939 0.667 CB 1.695 67 residues pruned to eliminate duplicates Z: 115 85.617 2.290 0.944 0.600 0.965 0.702 CB 1.697 115 residues pruned to eliminate duplicates Z: 67 58.785 2.262 0.835 0.593 0.985 0.697 CB 1.620 67 residues pruned to eliminate duplicates Z: 62 56.085 2.240 0.847 0.599 0.967 0.721 CB 1.632 62 residues pruned to eliminate duplicates Z: 67 58.151 2.240 0.813 0.600 0.955 0.682 CB 1.678 67 residues pruned to eliminate duplicates Z: 66 63.386 2.277 0.955 0.591 0.985 0.754 CB 1.644 66 residues pruned to eliminate duplicates Z: 58 56.946 2.236 0.811 0.660 0.982 0.667 CB 1.634 58 residues pruned to eliminate duplicates Z: 56 51.784 2.229 0.904 0.626 0.927 0.655 CB 1.575 56 residues pruned to eliminate duplicates Z: 99 84.712 2.304 0.920 0.665 0.959 0.755 CB 1.731 99 residues pruned to eliminate duplicates Z: 50 59.559 2.229 0.880 0.675 1.000 0.612 CA 1.729 50 residues pruned to eliminate duplicates Z: 56 53.627 2.224 0.818 0.626 0.927 0.655 CB 1.712 56 residues pruned to eliminate duplicates Z: 119 87.182 2.303 0.946 0.608 0.941 0.678 CB 1.718 119 residues pruned to eliminate duplicates Z: 60 64.018 2.340 0.879 0.621 0.983 0.763 CB 1.721 60 residues pruned to eliminate duplicates Z: 62 67.223 2.309 1.020 0.598 0.984 0.705 CB 1.708 62 residues pruned to eliminate duplicates Z: 62 64.010 2.338 0.963 0.586 0.951 0.770 CB 1.729 62 residues pruned to eliminate duplicates Z: 64 65.621 2.354 0.905 0.596 0.952 0.762 CB 1.767 64 residues pruned to eliminate duplicates Z: 64 64.277 2.349 0.934 0.585 0.952 0.778 CB 1.724 64 residues pruned to eliminate duplicates Z: 66 58.696 2.319 0.827 0.578 0.938 0.800 CB 1.698 66 residues pruned to eliminate duplicates Z: 58 71.843 2.370 1.019 0.633 0.982 0.772 CB 1.786 58 residues pruned to eliminate duplicates Z: 41 44.851 2.286 0.655 0.642 0.975 0.725 CB 1.684 41 residues pruned to eliminate duplicates Z: 65 63.241 2.327 0.989 0.597 0.922 0.734 CB 1.689 65 residues pruned to eliminate duplicates Z: 57 69.632 2.331 1.005 0.654 1.000 0.786 CB 1.726 57 residues pruned to eliminate duplicates Z: 69 65.128 2.299 1.002 0.557 0.941 0.676 CB 1.725 69 residues pruned to eliminate duplicates Z: 22 38.582 2.399 1.260 0.487 0.905 0.762 CB 1.739 22 residues pruned to eliminate duplicates Z: 62 61.372 2.290 0.984 0.591 0.934 0.754 CB 1.696 62 residues pruned to eliminate duplicates Z: 61 63.476 2.349 0.950 0.605 0.933 0.733 CB 1.735 61 residues pruned to eliminate duplicates Z: 66 67.846 2.308 1.030 0.599 0.969 0.738 CB 1.686 66 residues pruned to eliminate duplicates Z: 62 64.396 2.329 0.969 0.594 0.967 0.787 CB 1.700 62 residues pruned to eliminate duplicates Z: 86 67.067 2.249 0.998 0.593 0.918 0.647 CB 1.615 86 residues pruned to eliminate duplicates Z: 60 72.003 2.382 1.073 0.619 0.966 0.797 CB 1.755 60 residues pruned to eliminate duplicates Z: 86 63.269 2.233 0.917 0.604 0.894 0.624 CB 1.625 86 residues pruned to eliminate duplicates Z: 63 62.096 2.332 0.959 0.574 0.952 0.661 CB 1.690 63 residues pruned to eliminate duplicates Z: 56 71.595 2.354 1.080 0.653 0.982 0.764 CB 1.743 56 residues pruned to eliminate duplicates Z: 66 69.790 2.316 1.041 0.599 0.969 0.708 CB 1.721 66 residues pruned to eliminate duplicates Z: 60 70.237 2.353 1.084 0.605 0.966 0.729 CB 1.746 60 residues pruned to eliminate duplicates Z: 56 70.821 2.333 1.093 0.643 0.964 0.782 CB 1.775 56 residues pruned to eliminate duplicates Z: 64 64.987 2.286 1.038 0.584 0.952 0.683 CB 1.701 64 residues pruned to eliminate duplicates Z: 63 68.494 2.328 1.082 0.607 0.952 0.710 CB 1.703 63 residues pruned to eliminate duplicates Z: 63 68.339 2.357 1.000 0.608 0.952 0.758 CB 1.746 63 residues pruned to eliminate duplicates Z: 89 68.445 2.243 0.974 0.613 0.920 0.636 CB 1.609 89 residues pruned to eliminate duplicates Z: 124 89.218 2.278 1.003 0.623 0.951 0.764 CB 1.650 124 residues pruned to eliminate duplicates Z: 79 61.989 2.238 0.962 0.565 0.910 0.667 CB 1.648 79 residues pruned to eliminate duplicates Z: 64 69.934 2.361 1.048 0.602 0.952 0.714 CB 1.736 64 residues pruned to eliminate duplicates Z: 43 52.850 2.295 1.041 0.606 0.952 0.690 CB 1.654 43 residues pruned to eliminate duplicates Z: 60 72.277 2.353 1.070 0.604 0.983 0.763 CB 1.781 60 residues pruned to eliminate duplicates Z: 102 75.172 2.263 1.042 0.584 0.911 0.604 CB 1.638 102 residues pruned to eliminate duplicates Z: 46 52.644 2.301 1.087 0.600 0.889 0.600 CB 1.672 46 residues pruned to eliminate duplicates Z: 56 70.960 2.332 1.057 0.645 1.000 0.745 CB 1.742 56 residues pruned to eliminate duplicates Z: 62 68.000 2.328 1.042 0.580 0.967 0.721 CB 1.754 62 residues pruned to eliminate duplicates Z: 65 71.594 2.335 1.095 0.596 0.953 0.766 CB 1.750 65 residues pruned to eliminate duplicates Z: 60 72.801 2.348 1.079 0.629 0.983 0.780 CB 1.750 60 residues pruned to eliminate duplicates Z: 63 72.709 2.330 1.131 0.574 0.968 0.694 CB 1.790 63 residues pruned to eliminate duplicates Z: 78 74.135 2.330 1.016 0.609 0.961 0.727 CB 1.687 78 residues pruned to eliminate duplicates Z: 65 66.507 2.322 1.031 0.576 0.938 0.719 CB 1.747 65 residues pruned to eliminate duplicates Z: 78 66.927 2.286 1.045 0.579 0.922 0.688 CB 1.640 78 residues pruned to eliminate duplicates Z: 62 67.874 2.322 1.052 0.604 0.967 0.738 CB 1.708 62 residues pruned to eliminate duplicates Z: 55 70.461 2.359 1.022 0.655 0.981 0.759 CB 1.773 55 residues pruned to eliminate duplicates Z: 63 69.727 2.335 1.031 0.607 0.968 0.742 CB 1.743 63 residues pruned to eliminate duplicates Z: 64 68.378 2.349 1.026 0.601 0.952 0.730 CB 1.726 64 residues pruned to eliminate duplicates Z: 61 67.278 2.364 1.085 0.597 0.933 0.733 CB 1.721 61 residues pruned to eliminate duplicates Z: 66 67.991 2.302 1.056 0.597 0.969 0.692 CB 1.676 66 residues pruned to eliminate duplicates Z: 67 67.895 2.273 1.053 0.587 0.985 0.727 CB 1.673 67 residues pruned to eliminate duplicates Z: 66 68.208 2.315 1.032 0.594 0.969 0.723 CB 1.696 66 residues pruned to eliminate duplicates Z: 66 65.574 2.281 1.006 0.597 0.969 0.738 CB 1.671 66 residues pruned to eliminate duplicates Z: 66 68.689 2.315 1.077 0.581 0.985 0.708 CB 1.664 66 residues pruned to eliminate duplicates Z: 64 69.897 2.355 1.066 0.605 0.952 0.730 CB 1.720 64 residues pruned to eliminate duplicates Z: 60 69.440 2.351 1.184 0.610 0.915 0.712 CB 1.733 60 residues pruned to eliminate duplicates Z: 128 90.662 2.312 0.950 0.605 0.953 0.654 CB 1.696 128 residues pruned to eliminate duplicates Z: 71 57.178 2.219 0.973 0.572 0.900 0.629 CB 1.617 71 residues pruned to eliminate duplicates Z: 68 52.451 2.227 0.804 0.570 0.925 0.642 CB 1.612 68 residues pruned to eliminate duplicates Z: 7 12.132 1.977 0.916 0.471 1.000 0.667 CA 1.346 7 residues pruned to eliminate duplicates Z: 69 48.297 2.172 0.756 0.564 0.941 0.706 CB 1.533 69 residues pruned to eliminate duplicates Z: 14 18.083 2.082 1.116 0.405 0.923 0.615 CA 1.364 14 residues pruned to eliminate duplicates Z: 68 67.128 2.314 1.140 0.577 0.925 0.716 CB 1.662 68 residues pruned to eliminate duplicates Z: 66 56.597 2.267 0.848 0.563 0.938 0.708 CB 1.679 66 residues pruned to eliminate duplicates Z: 69 59.313 2.235 0.860 0.578 0.971 0.721 CB 1.653 69 residues pruned to eliminate duplicates Z: 66 58.492 2.282 0.865 0.590 0.923 0.723 CB 1.694 66 residues pruned to eliminate duplicates Z: 67 58.275 2.248 0.877 0.583 0.939 0.682 CB 1.671 67 residues pruned to eliminate duplicates Z: 62 56.576 2.275 0.818 0.597 0.951 0.770 CB 1.679 62 residues pruned to eliminate duplicates Z: 61 55.392 2.257 0.754 0.599 0.983 0.700 CB 1.671 61 residues pruned to eliminate duplicates Z: 95 58.128 2.205 0.841 0.562 0.872 0.628 CB 1.594 95 residues pruned to eliminate duplicates Z: 41 46.713 2.214 1.024 0.628 0.900 0.750 CB 1.624 41 residues pruned to eliminate duplicates Z: 64 57.850 2.282 0.818 0.570 0.968 0.635 CB 1.697 64 residues pruned to eliminate duplicates Z: 48 45.672 2.217 0.888 0.613 0.915 0.766 CB 1.563 48 residues pruned to eliminate duplicates Z: 60 58.373 2.274 0.832 0.614 0.983 0.729 CB 1.666 60 residues pruned to eliminate duplicates Z: 45 50.253 2.246 0.741 0.690 1.000 0.773 CB 1.628 45 residues pruned to eliminate duplicates Z: 65 53.597 2.250 0.762 0.593 0.938 0.688 CB 1.650 65 residues pruned to eliminate duplicates Z: 68 57.753 2.257 0.863 0.576 0.925 0.642 CB 1.686 68 residues pruned to eliminate duplicates Z: 60 55.436 2.230 0.774 0.635 0.966 0.661 CB 1.663 60 residues pruned to eliminate duplicates Z: 68 60.894 2.256 0.967 0.580 0.940 0.716 CB 1.651 68 residues pruned to eliminate duplicates Z: 57 53.978 2.258 0.794 0.647 0.929 0.732 CB 1.672 57 residues pruned to eliminate duplicates Z: 59 60.642 2.262 0.866 0.624 1.000 0.690 CB 1.679 59 residues pruned to eliminate duplicates Z: 60 58.912 2.269 0.842 0.616 0.983 0.695 CB 1.672 60 residues pruned to eliminate duplicates Z: 64 57.703 2.234 0.861 0.593 0.952 0.683 CB 1.680 64 residues pruned to eliminate duplicates Z: 67 59.199 2.255 0.861 0.585 0.955 0.667 CB 1.676 67 residues pruned to eliminate duplicates Z: 69 58.592 2.240 0.890 0.577 0.956 0.662 CB 1.629 69 residues pruned to eliminate duplicates Z: 68 58.739 2.234 0.959 0.591 0.940 0.672 CB 1.599 68 residues pruned to eliminate duplicates Z: 67 58.732 2.266 0.875 0.586 0.955 0.697 CB 1.641 67 residues pruned to eliminate duplicates Z: 63 56.925 2.256 0.883 0.582 0.952 0.613 CB 1.653 63 residues pruned to eliminate duplicates Z: 69 55.587 2.205 0.878 0.589 0.956 0.647 CB 1.564 69 residues pruned to eliminate duplicates Z: 65 63.128 2.292 0.897 0.616 0.984 0.812 CB 1.651 65 residues pruned to eliminate duplicates Z: 68 57.100 2.237 0.876 0.585 0.955 0.657 CB 1.605 68 residues pruned to eliminate duplicates Z: 128 89.613 2.311 0.958 0.600 0.961 0.724 CB 1.662 128 residues pruned to eliminate duplicates Z: 50 43.545 2.173 0.644 0.628 0.959 0.633 CB 1.609 50 residues pruned to eliminate duplicates Z: 121 85.342 2.257 0.979 0.600 0.958 0.725 CB 1.655 121 residues pruned to eliminate duplicates Z: 67 62.530 2.262 0.942 0.585 0.985 0.667 CB 1.640 67 residues pruned to eliminate duplicates Z: 44 39.287 2.102 0.930 0.634 0.860 0.465 CB 1.513 44 residues pruned to eliminate duplicates Z: 28 43.202 2.293 1.185 0.553 0.889 0.704 CA 1.773 28 residues pruned to eliminate duplicates Z: 30 32.084 2.146 1.245 0.518 0.793 0.621 CB 1.532 30 residues pruned to eliminate duplicates Z: 27 52.259 2.285 1.338 0.695 0.962 0.692 CB 1.670 27 residues pruned to eliminate duplicates Z: 36 45.186 2.229 1.119 0.690 0.886 0.629 CB 1.534 36 residues pruned to eliminate duplicates Z: 27 49.478 2.304 1.447 0.723 0.885 0.577 CB 1.591 27 residues pruned to eliminate duplicates Z: 36 48.164 2.262 1.077 0.690 0.886 0.543 CB 1.644 36 residues pruned to eliminate duplicates Z: 27 45.958 2.262 1.260 0.684 0.923 0.615 CB 1.613 27 residues pruned to eliminate duplicates Z: 37 41.456 2.193 1.003 0.691 0.889 0.611 CB 1.486 37 residues pruned to eliminate duplicates Z: 27 37.058 2.185 1.057 0.722 0.885 0.615 CB 1.496 27 residues pruned to eliminate duplicates Z: 41 41.724 2.152 1.151 0.619 0.825 0.550 CB 1.544 41 residues pruned to eliminate duplicates Z: 26 43.710 2.224 1.250 0.716 0.920 0.640 CB 1.563 26 residues pruned to eliminate duplicates Z: 31 32.698 2.082 0.911 0.638 0.867 0.400 CB 1.521 31 residues pruned to eliminate duplicates Z: 16 25.505 2.173 0.930 0.712 0.933 0.533 CB 1.389 16 residues pruned to eliminate duplicates Z: 79 63.127 2.237 0.884 0.607 0.936 0.641 CB 1.637 79 residues pruned to eliminate duplicates Z: 38 41.539 2.214 0.985 0.656 0.865 0.568 CB 1.554 38 residues pruned to eliminate duplicates Z: 35 29.891 2.062 0.818 0.587 0.882 0.500 CB 1.426 35 residues pruned to eliminate duplicates Z: 24 24.181 2.053 0.679 0.683 0.870 0.304 CB 1.422 24 residues pruned to eliminate duplicates Z: 83 59.243 2.218 1.026 0.547 0.878 0.537 CB 1.584 83 residues pruned to eliminate duplicates Z: 45 40.752 2.115 1.008 0.606 0.909 0.545 CB 1.439 45 residues pruned to eliminate duplicates Z: 36 37.093 2.176 0.954 0.642 0.857 0.600 CB 1.507 36 residues pruned to eliminate duplicates Z: 36 42.418 2.210 0.998 0.719 0.914 0.657 CB 1.457 36 residues pruned to eliminate duplicates Z: 24 30.622 2.153 0.929 0.672 0.870 0.652 CB 1.509 24 residues pruned to eliminate duplicates Z: 37 44.458 2.185 1.129 0.668 0.917 0.694 CB 1.488 37 residues pruned to eliminate duplicates Z: 35 43.114 2.228 1.091 0.682 0.882 0.618 CB 1.522 35 residues pruned to eliminate duplicates Z: 37 40.811 2.127 1.134 0.652 0.889 0.528 CB 1.463 37 residues pruned to eliminate duplicates Z: 42 38.724 2.151 1.045 0.669 0.902 0.561 CB 1.303 42 residues pruned to eliminate duplicates Z: 75 62.323 2.275 0.959 0.603 0.892 0.527 CB 1.652 75 residues pruned to eliminate duplicates Z: 15 14.046 1.902 0.744 0.591 0.786 0.571 CB 1.321 15 residues pruned to eliminate duplicates Z: 17 11.434 1.757 0.918 0.408 0.812 0.375 CB 1.150 17 residues pruned to eliminate duplicates Z: 10 17.658 2.080 0.863 0.674 0.889 0.556 CB 1.456 10 residues pruned to eliminate duplicates Z: 28 33.320 2.149 1.108 0.658 0.889 0.519 CB 1.375 28 residues pruned to eliminate duplicates Z: 12 16.262 1.927 1.076 0.669 0.818 0.727 CB 1.281 12 residues pruned to eliminate duplicates Z: 27 27.301 2.030 1.110 0.490 0.808 0.615 CB 1.563 24 residues pruned to eliminate duplicates Z: 33 41.721 2.193 1.280 0.624 0.844 0.500 CB 1.555 33 residues pruned to eliminate duplicates Z: 30 34.886 2.103 1.216 0.599 0.862 0.586 CB 1.467 30 residues pruned to eliminate duplicates Z: 30 41.152 2.219 1.242 0.672 0.828 0.414 CB 1.584 30 residues pruned to eliminate duplicates Z: 21 31.725 2.009 1.379 0.574 0.900 0.600 CB 1.536 21 residues pruned to eliminate duplicates Z: 31 53.302 2.238 1.489 0.654 0.933 0.700 CB 1.622 34 residues pruned to eliminate duplicates Z: 32 39.758 2.139 1.187 0.649 0.903 0.548 CB 1.471 32 residues pruned to eliminate duplicates Z: 30 44.985 2.255 1.252 0.635 0.897 0.414 CB 1.616 30 residues pruned to eliminate duplicates Z: 31 40.244 2.177 1.156 0.642 0.933 0.567 CB 1.469 31 residues pruned to eliminate duplicates Z: 30 34.471 2.206 1.116 0.618 0.828 0.448 CB 1.483 30 residues pruned to eliminate duplicates Z: 89 77.261 2.324 1.077 0.601 0.920 0.636 CB 1.684 66 residues pruned to eliminate duplicates Z: 15 26.457 2.087 1.177 0.853 0.929 0.571 CB 1.239 15 residues pruned to eliminate duplicates Z: 92 79.157 2.288 1.064 0.634 0.945 0.681 CB 1.640 92 residues pruned to eliminate duplicates Z: 24 31.625 2.171 1.151 0.658 0.870 0.565 CB 1.402 24 residues pruned to eliminate duplicates Z: 42 50.782 2.225 1.277 0.604 0.927 0.439 CB 1.531 30 residues pruned to eliminate duplicates Z: 14 26.950 2.064 1.353 0.808 0.923 0.538 CB 1.275 14 residues pruned to eliminate duplicates Z: 33 37.208 2.133 1.256 0.612 0.875 0.594 CB 1.405 33 residues pruned to eliminate duplicates Z: 31 40.290 2.185 1.117 0.610 0.900 0.600 CB 1.591 31 residues pruned to eliminate duplicates Z: 37 28.378 2.145 1.042 0.455 0.778 0.472 CB 1.454 37 residues pruned to eliminate duplicates Z: 42 33.071 2.179 1.123 0.506 0.805 0.463 CB 1.378 34 residues pruned to eliminate duplicates Z: 13 36.455 2.252 1.293 0.811 1.000 0.750 CB 1.555 Z: 14 37.413 2.214 1.250 0.836 1.000 0.692 CB 1.559 27 residues pruned to eliminate duplicates Z: 41 54.897 2.247 1.385 0.626 0.925 0.725 CB 1.555 41 residues pruned to eliminate duplicates Z: 23 40.406 2.238 1.145 0.725 0.955 0.545 CB 1.534 33 residues pruned to eliminate duplicates Z: 11 21.170 2.026 1.108 0.829 0.900 0.700 CB 1.311 11 residues pruned to eliminate duplicates Z: 11 20.035 2.181 1.134 0.644 0.800 0.400 CB 1.487 11 residues pruned to eliminate duplicates Z: 44 38.471 2.084 1.021 0.541 0.860 0.558 CB 1.555 44 residues pruned to eliminate duplicates Z: 25 25.037 2.223 0.836 0.558 0.708 0.500 CB 1.671 25 residues pruned to eliminate duplicates Z: 11 21.710 2.156 1.305 0.688 0.800 0.700 CB 1.454 11 residues pruned to eliminate duplicates Z: 10 23.950 2.171 1.027 0.764 0.889 0.556 CA 1.614 9 residues pruned to eliminate duplicates Z: 12 22.863 1.923 1.131 0.780 1.000 0.636 CB 1.314 11 residues pruned to eliminate duplicates Z: 13 19.643 1.855 1.444 0.743 0.917 0.583 CB 1.098 13 residues pruned to eliminate duplicates Z: 29 29.664 2.036 0.899 0.600 0.857 0.679 CB 1.538 29 residues pruned to eliminate duplicates Z: 25 46.864 2.222 1.247 0.746 0.958 0.833 CB 1.605 26 residues pruned to eliminate duplicates Z: 14 33.162 2.084 1.286 0.884 0.923 0.846 CA 1.512 14 residues pruned to eliminate duplicates Z: 26 46.406 2.199 1.300 0.736 0.960 0.680 CA 1.547 26 residues pruned to eliminate duplicates Z: 26 39.812 2.205 1.134 0.689 0.920 0.760 CB 1.547 26 residues pruned to eliminate duplicates Z: 14 35.479 2.119 1.233 0.843 1.000 0.538 CB 1.549 14 residues pruned to eliminate duplicates Z: 98 65.155 2.200 0.850 0.596 0.938 0.588 CB 1.580 98 residues pruned to eliminate duplicates Z: 35 37.857 2.088 1.058 0.646 0.882 0.676 CB 1.494 35 residues pruned to eliminate duplicates Z: 46 41.952 2.050 1.128 0.647 0.867 0.578 CB 1.442 46 residues pruned to eliminate duplicates Z: 40 42.072 2.143 1.165 0.591 0.846 0.410 CB 1.572 40 residues pruned to eliminate duplicates Z: 29 28.335 2.029 0.969 0.598 0.857 0.464 CB 1.424 29 residues pruned to eliminate duplicates Z: 38 33.571 2.064 0.964 0.578 0.865 0.405 CB 1.460 38 residues pruned to eliminate duplicates Z: 11 9.748 1.859 0.574 0.642 0.800 0.700 CB 1.154 11 residues pruned to eliminate duplicates Z: 36 39.960 2.116 0.971 0.693 0.914 0.657 CB 1.486 36 residues pruned to eliminate duplicates Z: 11 13.295 1.980 0.453 0.607 1.000 0.500 CB 1.320 11 residues pruned to eliminate duplicates Z: 20 18.095 1.970 0.806 0.472 0.842 0.526 CB 1.425 20 residues pruned to eliminate duplicates Z: 11 31.507 2.085 1.554 0.782 0.900 0.800 CA 1.623 12 residues pruned to eliminate duplicates Z: 6 5.777 1.597 0.817 0.418 0.800 0.600 CA 1.212 6 residues pruned to eliminate duplicates Z: 29 27.324 2.070 1.101 0.571 0.786 0.643 CB 1.410 29 residues pruned to eliminate duplicates Z: 27 36.533 2.190 1.121 0.597 0.846 0.692 CB 1.662 28 residues pruned to eliminate duplicates Z: 7 9.733 1.656 0.902 0.506 1.000 0.833 CA 1.254 7 residues pruned to eliminate duplicates Z: 27 44.227 2.233 1.103 0.693 0.923 0.462 CB 1.677 25 residues pruned to eliminate duplicates Z: 6 4.558 1.767 0.771 0.336 0.600 0.200 C 1.299 6 residues pruned to eliminate duplicates Z: 43 43.939 2.204 1.083 0.522 0.857 0.667 CB 1.686 69 residues pruned to eliminate duplicates Z: 27 40.728 2.234 1.142 0.687 0.923 0.692 CB 1.523 Z: 15 32.834 2.252 1.115 0.748 1.000 0.643 CB 1.476 15 residues pruned to eliminate duplicates Z: 30 31.531 2.169 0.966 0.629 0.862 0.517 CB 1.412 33 residues pruned to eliminate duplicates Z: 13 31.991 2.183 1.065 0.899 1.000 0.667 CB 1.464 13 residues pruned to eliminate duplicates Z: 47 40.398 2.137 0.947 0.553 0.913 0.478 CB 1.490 93 residues pruned to eliminate duplicates Z: 22 27.485 2.099 1.057 0.577 0.857 0.333 CB 1.505 Z: 15 29.532 2.156 0.946 0.811 0.929 0.429 CB 1.546 16 residues pruned to eliminate duplicates Z: 14 32.474 2.125 1.064 0.913 1.000 0.769 CB 1.454 16 residues pruned to eliminate duplicates Z: 15 30.305 2.054 1.081 0.861 1.000 0.571 CB 1.393 15 residues pruned to eliminate duplicates Z: 28 41.754 2.204 1.201 0.660 0.889 0.593 CB 1.606 22 residues pruned to eliminate duplicates Z: 15 30.780 2.029 1.023 0.882 1.000 0.571 CB 1.450 15 residues pruned to eliminate duplicates Z: 20 23.936 2.124 0.885 0.576 0.789 0.526 CB 1.614 20 residues pruned to eliminate duplicates Z: 44 47.282 2.230 1.129 0.575 0.884 0.628 CB 1.599 69 residues pruned to eliminate duplicates Z: 42 35.766 2.106 0.918 0.631 0.854 0.610 CB 1.432 Z: 32 30.883 2.112 0.858 0.619 0.871 0.581 CB 1.450 36 residues pruned to eliminate duplicates Z: 11 9.540 1.762 0.452 0.740 0.800 0.600 CB 1.189 11 residues pruned to eliminate duplicates Z: 36 36.821 2.080 0.967 0.613 0.914 0.457 CB 1.496 36 residues pruned to eliminate duplicates Z: 10 21.365 2.038 0.968 0.829 1.000 0.667 CB 1.336 13 residues pruned to eliminate duplicates Z: 11 15.750 1.864 0.649 0.843 1.000 0.800 CB 1.207 11 residues pruned to eliminate duplicates Z: 12 12.731 1.932 0.655 0.719 0.909 0.636 CB 1.083 12 residues pruned to eliminate duplicates Z: 11 16.718 1.943 0.783 0.717 1.000 0.600 CB 1.254 11 residues pruned to eliminate duplicates Z: 40 38.038 2.168 0.987 0.610 0.846 0.667 CB 1.505 40 residues pruned to eliminate duplicates Z: 11 15.026 2.023 0.628 0.672 0.900 0.500 CB 1.368 11 residues pruned to eliminate duplicates Z: 56 38.777 2.143 0.919 0.539 0.855 0.436 CB 1.431 91 residues pruned to eliminate duplicates Z: 34 29.083 2.075 0.758 0.616 0.909 0.576 CB 1.368 Z: 6 4.959 1.611 0.727 0.323 1.000 0.000 CA 0.968 Z: 7 5.494 1.752 0.724 0.360 0.833 0.167 CA 1.037 6 residues pruned to eliminate duplicates Z: 6 6.351 1.584 0.915 0.214 1.000 0.800 CA 1.311 6 residues pruned to eliminate duplicates Z: 65 59.700 2.255 0.854 0.601 0.953 0.734 CB 1.701 65 residues pruned to eliminate duplicates Z: 66 58.713 2.249 0.868 0.591 0.938 0.723 CB 1.692 66 residues pruned to eliminate duplicates Z: 97 60.882 2.182 0.805 0.577 0.938 0.583 CB 1.562 138 residues pruned to eliminate duplicates Z: 63 57.693 2.263 0.864 0.579 0.935 0.677 CB 1.721 63 residues pruned to eliminate duplicates Z: 62 58.589 2.273 0.880 0.585 0.951 0.639 CB 1.701 62 residues pruned to eliminate duplicates Z: 53 51.709 2.238 0.897 0.588 0.942 0.654 CB 1.647 53 residues pruned to eliminate duplicates Z: 67 56.289 2.247 0.804 0.568 0.955 0.621 CB 1.677 67 residues pruned to eliminate duplicates Z: 62 58.252 2.239 0.822 0.600 0.967 0.705 CB 1.719 62 residues pruned to eliminate duplicates Z: 64 58.188 2.266 0.824 0.593 0.968 0.698 CB 1.677 64 residues pruned to eliminate duplicates Z: 65 62.006 2.267 0.944 0.584 0.953 0.672 CB 1.701 65 residues pruned to eliminate duplicates Z: 65 61.310 2.258 0.924 0.593 0.938 0.641 CB 1.722 65 residues pruned to eliminate duplicates Z: 67 62.827 2.236 0.983 0.561 0.955 0.636 CA 1.722 67 residues pruned to eliminate duplicates Z: 64 61.370 2.242 0.909 0.574 0.984 0.635 CB 1.709 64 residues pruned to eliminate duplicates Z: 63 58.644 2.241 0.896 0.585 0.952 0.661 CB 1.697 63 residues pruned to eliminate duplicates Z: 73 57.040 2.232 0.905 0.556 0.931 0.639 CB 1.609 73 residues pruned to eliminate duplicates Z: 62 60.026 2.254 0.887 0.606 0.967 0.689 CB 1.689 62 residues pruned to eliminate duplicates Z: 66 58.578 2.244 0.904 0.576 0.954 0.600 CB 1.656 66 residues pruned to eliminate duplicates Z: 66 57.140 2.195 0.896 0.594 0.938 0.662 CB 1.659 66 residues pruned to eliminate duplicates Z: 71 58.508 2.232 0.880 0.560 0.929 0.686 CB 1.693 71 residues pruned to eliminate duplicates Z: 71 63.754 2.238 0.945 0.576 0.971 0.686 CB 1.675 71 residues pruned to eliminate duplicates Z: 70 58.710 2.251 0.855 0.563 0.942 0.681 CB 1.689 70 residues pruned to eliminate duplicates Z: 60 62.382 2.249 0.930 0.631 0.949 0.712 CB 1.742 60 residues pruned to eliminate duplicates Z: 65 62.693 2.257 0.939 0.579 0.953 0.625 CB 1.741 65 residues pruned to eliminate duplicates Z: 63 61.133 2.242 0.941 0.596 0.952 0.677 CA 1.710 63 residues pruned to eliminate duplicates Z: 65 59.422 2.240 0.871 0.585 0.953 0.688 CB 1.713 65 residues pruned to eliminate duplicates Z: 64 58.215 2.274 0.876 0.577 0.937 0.651 CB 1.704 64 residues pruned to eliminate duplicates Z: 71 62.861 2.236 0.923 0.588 0.986 0.700 CB 1.630 71 residues pruned to eliminate duplicates Z: 62 60.880 2.245 0.975 0.605 0.951 0.656 CB 1.673 62 residues pruned to eliminate duplicates Z: 67 64.770 2.247 0.921 0.582 0.985 0.606 CB 1.733 67 residues pruned to eliminate duplicates Z: 66 59.494 2.208 0.937 0.589 0.938 0.631 CB 1.688 66 residues pruned to eliminate duplicates Z: 59 65.998 2.275 1.044 0.619 0.948 0.690 CB 1.755 59 residues pruned to eliminate duplicates Z: 64 59.278 2.224 1.030 0.585 0.905 0.698 CB 1.685 64 residues pruned to eliminate duplicates Z: 63 57.577 2.259 0.958 0.569 0.935 0.677 CB 1.653 63 residues pruned to eliminate duplicates Z: 64 63.864 2.258 0.988 0.584 0.968 0.667 CB 1.708 64 residues pruned to eliminate duplicates Z: 67 60.533 2.230 0.929 0.580 0.939 0.667 CB 1.707 67 residues pruned to eliminate duplicates Z: 66 63.415 2.265 0.947 0.587 0.954 0.631 CB 1.720 66 residues pruned to eliminate duplicates Z: 63 62.530 2.259 0.961 0.572 0.968 0.629 CB 1.728 63 residues pruned to eliminate duplicates Z: 98 70.543 2.228 0.968 0.590 0.918 0.670 CB 1.633 98 residues pruned to eliminate duplicates Z: 62 63.204 2.273 0.991 0.585 0.951 0.639 CB 1.733 62 residues pruned to eliminate duplicates Z: 63 58.506 2.214 0.956 0.588 0.919 0.710 CB 1.715 63 residues pruned to eliminate duplicates Z: 59 65.018 2.280 0.911 0.627 1.000 0.741 CB 1.738 59 residues pruned to eliminate duplicates Z: 65 63.871 2.267 0.985 0.571 0.969 0.641 CB 1.710 65 residues pruned to eliminate duplicates Z: 66 60.908 2.257 0.982 0.580 0.938 0.631 CB 1.666 66 residues pruned to eliminate duplicates Z: 64 63.635 2.287 0.916 0.597 0.968 0.730 CB 1.723 64 residues pruned to eliminate duplicates Z: 62 61.257 2.265 0.944 0.592 0.951 0.689 CB 1.717 62 residues pruned to eliminate duplicates Z: 65 59.506 2.237 0.906 0.579 0.969 0.734 CB 1.669 65 residues pruned to eliminate duplicates Z: 81 67.716 2.219 0.968 0.586 0.975 0.675 CB 1.637 81 residues pruned to eliminate duplicates Z: 66 59.512 2.237 0.905 0.580 0.954 0.662 CB 1.682 66 residues pruned to eliminate duplicates Z: 67 63.575 2.242 0.970 0.586 0.985 0.697 CB 1.657 67 residues pruned to eliminate duplicates Z: 64 64.000 2.273 1.014 0.598 0.952 0.683 CB 1.684 64 residues pruned to eliminate duplicates Z: 66 59.652 2.261 0.912 0.602 0.908 0.662 CB 1.711 66 residues pruned to eliminate duplicates Z: 72 57.627 2.225 0.900 0.569 0.915 0.592 CB 1.652 72 residues pruned to eliminate duplicates Z: 10 11.265 1.917 1.290 0.309 0.889 0.444 CB 1.190 10 residues pruned to eliminate duplicates Z: 70 62.834 2.221 1.072 0.561 0.957 0.580 CB 1.619 70 residues pruned to eliminate duplicates Z: 127 89.462 2.303 0.940 0.595 0.944 0.619 CB 1.725 127 residues pruned to eliminate duplicates Z: 123 88.456 2.273 1.024 0.600 0.934 0.697 CB 1.693 123 residues pruned to eliminate duplicates Z: 65 72.462 2.374 1.008 0.605 0.984 0.703 CB 1.747 65 residues pruned to eliminate duplicates Z: 12 10.973 2.001 0.893 0.282 0.818 0.545 CB 1.365 20 residues pruned to eliminate duplicates Z: 10 8.751 1.957 0.982 0.327 0.778 0.556 CA 1.169 10 residues pruned to eliminate duplicates Z: 65 70.697 2.373 0.992 0.612 0.969 0.750 CA 1.735 65 residues pruned to eliminate duplicates Z: 64 64.269 2.352 0.929 0.568 0.968 0.714 CB 1.726 64 residues pruned to eliminate duplicates Z: 64 72.402 2.389 1.015 0.597 0.968 0.698 CA 1.784 64 residues pruned to eliminate duplicates Z: 128 96.682 2.323 1.021 0.603 0.961 0.669 CB 1.724 128 residues pruned to eliminate duplicates Z: 122 89.199 2.318 1.000 0.591 0.934 0.669 CB 1.717 122 residues pruned to eliminate duplicates Z: 75 67.396 2.241 1.069 0.584 0.959 0.662 CB 1.623 75 residues pruned to eliminate duplicates Z: 60 72.620 2.386 1.111 0.618 0.949 0.644 CB 1.769 60 residues pruned to eliminate duplicates Z: 64 70.252 2.366 1.026 0.600 0.952 0.698 CB 1.763 64 residues pruned to eliminate duplicates Z: 56 77.790 2.420 1.116 0.643 0.982 0.673 CA 1.824 56 residues pruned to eliminate duplicates Z: 56 73.645 2.384 0.998 0.656 1.000 0.764 CA 1.803 56 residues pruned to eliminate duplicates Z: 77 73.651 2.262 1.071 0.596 0.961 0.658 CB 1.713 45 residues pruned to eliminate duplicates Z: 71 69.644 2.325 1.059 0.589 0.957 0.700 CB 1.668 70 residues pruned to eliminate duplicates Z: 20 22.542 2.044 0.616 0.769 0.947 0.737 CA 1.302 20 residues pruned to eliminate duplicates Z: 62 64.841 2.355 0.961 0.588 0.934 0.721 CB 1.769 62 residues pruned to eliminate duplicates Z: 49 55.584 2.316 0.956 0.627 0.938 0.646 CA 1.677 58 residues pruned to eliminate duplicates Z: 61 66.046 2.363 1.024 0.617 0.950 0.717 CA 1.681 61 residues pruned to eliminate duplicates Z: 65 71.690 2.372 1.026 0.595 0.969 0.734 CA 1.757 66 residues pruned to eliminate duplicates Z: 68 64.167 2.312 1.077 0.550 0.940 0.687 CB 1.653 74 residues pruned to eliminate duplicates Z: 63 64.827 2.335 1.033 0.591 0.935 0.742 CB 1.700 63 residues pruned to eliminate duplicates Z: 63 73.503 2.385 1.066 0.593 0.968 0.629 CB 1.791 63 residues pruned to eliminate duplicates Z: 66 74.460 2.361 1.076 0.588 0.985 0.677 CA 1.759 66 residues pruned to eliminate duplicates Z: 57 71.585 2.380 1.019 0.644 0.982 0.750 CB 1.772 57 residues pruned to eliminate duplicates Z: 55 74.262 2.406 1.037 0.643 1.000 0.704 CA 1.804 55 residues pruned to eliminate duplicates Z: 65 69.004 2.344 1.037 0.564 0.969 0.641 CA 1.753 65 residues pruned to eliminate duplicates Z: 67 69.987 2.356 1.051 0.571 0.955 0.621 CB 1.744 67 residues pruned to eliminate duplicates Z: 56 70.009 2.369 1.016 0.655 0.982 0.655 CB 1.743 56 residues pruned to eliminate duplicates Z: 65 64.822 2.353 0.989 0.563 0.938 0.656 CA 1.737 65 residues pruned to eliminate duplicates Z: 65 66.218 2.347 1.032 0.580 0.922 0.688 CA 1.742 65 residues pruned to eliminate duplicates Z: 66 71.338 2.370 1.017 0.590 0.969 0.631 CA 1.751 66 residues pruned to eliminate duplicates Z: 65 71.981 2.379 1.044 0.594 0.953 0.734 CA 1.774 65 residues pruned to eliminate duplicates Z: 55 76.140 2.422 1.052 0.645 1.000 0.741 CA 1.821 55 residues pruned to eliminate duplicates Z: 17 29.984 2.247 0.749 0.757 0.875 0.625 CA 1.733 17 residues pruned to eliminate duplicates Z: 57 67.535 2.340 0.965 0.630 0.982 0.643 CA 1.768 57 residues pruned to eliminate duplicates Z: 65 71.305 2.358 1.027 0.578 0.984 0.672 CB 1.757 65 residues pruned to eliminate duplicates Z: 67 70.733 2.346 1.091 0.580 0.955 0.697 CA 1.722 67 residues pruned to eliminate duplicates Z: 60 70.296 2.377 1.064 0.600 0.983 0.695 CA 1.725 60 residues pruned to eliminate duplicates Z: 70 74.744 2.364 1.169 0.573 0.942 0.696 CB 1.735 70 residues pruned to eliminate duplicates Z: 16 35.221 2.354 0.948 0.766 1.000 0.533 CA 1.567 16 residues pruned to eliminate duplicates Z: 73 72.966 2.278 1.093 0.628 0.958 0.736 CB 1.668 73 residues pruned to eliminate duplicates Z: 57 69.932 2.379 0.988 0.644 0.982 0.607 CB 1.758 57 residues pruned to eliminate duplicates Z: 66 64.998 2.313 1.012 0.604 0.954 0.708 CA 1.645 66 residues pruned to eliminate duplicates Z: 44 60.171 2.355 1.006 0.667 0.953 0.628 CB 1.745 44 residues pruned to eliminate duplicates Z: 56 75.549 2.412 1.042 0.650 1.000 0.655 CB 1.798 56 residues pruned to eliminate duplicates Z: 57 72.178 2.393 1.055 0.642 0.964 0.643 CA 1.782 56 residues pruned to eliminate duplicates Z: 6 6.531 1.619 1.034 0.338 1.000 0.600 CA 1.058 Z: 8 8.563 1.803 0.615 0.516 1.000 0.714 CA 1.095 8 residues pruned to eliminate duplicates Z: 68 67.306 2.320 1.062 0.573 0.940 0.687 CA 1.704 74 residues pruned to eliminate duplicates Z: 58 71.959 2.382 0.982 0.634 1.000 0.702 CB 1.779 58 residues pruned to eliminate duplicates Z: 67 72.039 2.360 1.050 0.592 0.970 0.773 CB 1.730 67 residues pruned to eliminate duplicates Z: 66 68.760 2.354 1.057 0.581 0.954 0.692 CB 1.707 66 residues pruned to eliminate duplicates Z: 57 68.325 2.382 0.937 0.632 1.000 0.714 CA 1.748 57 residues pruned to eliminate duplicates Z: 68 66.517 2.327 0.954 0.579 0.970 0.612 CB 1.708 68 residues pruned to eliminate duplicates 466 residues left after pruning, divided into chains as follows: A: 103 B: 37 C: 9 D: 116 E: 41 F: 24 G: 116 H: 20 CC for partial structure against native data = 38.32 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.445, Connect. = 0.720 for dens.mod. cycle 1 = 0.300, Contrast = 0.518, Connect. = 0.751 for dens.mod. cycle 2 = 0.300, Contrast = 0.610, Connect. = 0.782 for dens.mod. cycle 3 = 0.300, Contrast = 0.619, Connect. = 0.786 for dens.mod. cycle 4 = 0.300, Contrast = 0.628, Connect. = 0.790 for dens.mod. cycle 5 = 0.300, Contrast = 0.631, Connect. = 0.792 for dens.mod. cycle 6 = 0.300, Contrast = 0.634, Connect. = 0.794 for dens.mod. cycle 7 = 0.300, Contrast = 0.635, Connect. = 0.795 for dens.mod. cycle 8 = 0.300, Contrast = 0.636, Connect. = 0.795 for dens.mod. cycle 9 = 0.300, Contrast = 0.636, Connect. = 0.796 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4237 peaks > 0.5 sigma used to seed fragment search Space for about 746 unique residues taking solvent into account 857 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 65 54.166 2.192 0.845 0.579 0.969 0.609 CB 1.602 B: 66 60.606 2.259 0.921 0.560 0.938 0.708 CB 1.741 C: 63 58.662 2.311 0.796 0.585 0.935 0.758 CB 1.769 63 residues pruned to eliminate duplicates D: 14 26.123 2.061 1.279 0.625 0.846 0.615 CA 1.621 E: 62 64.700 2.300 0.903 0.589 0.967 0.689 CA 1.798 65 residues pruned to eliminate duplicates F: 67 54.607 2.221 0.868 0.576 0.955 0.727 CB 1.577 64 residues pruned to eliminate duplicates G: 17 24.585 2.226 0.708 0.756 0.812 0.500 CA 1.585 H: 31 48.331 2.281 1.271 0.662 0.867 0.500 CB 1.692 I: 16 28.512 2.148 0.615 0.897 1.000 0.800 CA 1.519 16 residues pruned to eliminate duplicates J: 66 60.717 2.279 0.800 0.567 0.969 0.723 CB 1.775 66 residues pruned to eliminate duplicates K: 12 29.948 2.109 1.706 0.643 0.818 0.727 CA 1.692 12 residues pruned to eliminate duplicates L: 102 66.874 2.258 0.850 0.587 0.891 0.574 CB 1.644 M: 63 67.034 2.337 1.019 0.595 0.968 0.742 CB 1.702 61 residues pruned to eliminate duplicates N: 60 59.243 2.274 0.755 0.633 0.949 0.746 CA 1.798 60 residues pruned to eliminate duplicates O: 65 66.681 2.339 0.945 0.598 0.984 0.703 CB 1.694 60 residues pruned to eliminate duplicates P: 71 65.087 2.305 0.991 0.539 0.943 0.700 CB 1.731 71 residues pruned to eliminate duplicates Q: 92 72.907 2.269 1.050 0.579 0.934 0.659 CB 1.631 93 residues pruned to eliminate duplicates R: 67 68.238 2.321 1.017 0.592 0.970 0.727 CB 1.695 67 residues pruned to eliminate duplicates S: 66 58.668 2.254 0.847 0.599 0.954 0.708 CB 1.667 68 residues pruned to eliminate duplicates T: 61 55.792 2.237 0.803 0.618 0.983 0.733 CB 1.623 61 residues pruned to eliminate duplicates U: 50 44.698 2.237 1.076 0.571 0.878 0.449 CB 1.463 31 residues pruned to eliminate duplicates V: 39 39.455 2.091 0.880 0.612 0.895 0.553 CB 1.636 14 residues pruned to eliminate duplicates W: 17 24.528 2.286 1.271 0.590 0.688 0.500 CA 1.577 17 residues pruned to eliminate duplicates X: 35 47.257 2.267 1.128 0.712 0.853 0.588 CB 1.625 Y: 27 44.776 2.238 1.281 0.679 0.923 0.577 CB 1.580 27 residues pruned to eliminate duplicates Z: 18 23.630 2.172 0.934 0.490 0.824 0.588 CB 1.674 17 residues pruned to eliminate duplicates Z: 63 63.527 2.332 0.914 0.582 0.952 0.710 CB 1.755 63 residues pruned to eliminate duplicates Z: 33 44.555 2.214 1.234 0.649 0.906 0.625 CB 1.529 32 residues pruned to eliminate duplicates Z: 62 60.494 2.245 0.880 0.632 0.967 0.770 CA 1.676 Z: 63 53.766 2.239 0.772 0.585 0.952 0.661 CB 1.666 63 residues pruned to eliminate duplicates Z: 11 13.995 2.076 0.707 0.630 0.800 0.400 CA 1.382 11 residues pruned to eliminate duplicates Z: 63 63.170 2.364 0.910 0.600 0.935 0.726 CB 1.727 63 residues pruned to eliminate duplicates Z: 65 65.048 2.264 0.968 0.598 0.984 0.734 CB 1.687 63 residues pruned to eliminate duplicates Z: 62 51.770 2.256 0.711 0.598 0.934 0.672 CB 1.673 62 residues pruned to eliminate duplicates Z: 26 44.209 2.205 1.296 0.673 0.920 0.560 CB 1.618 26 residues pruned to eliminate duplicates Z: 34 51.453 2.270 1.077 0.719 0.939 0.697 CB 1.659 36 residues pruned to eliminate duplicates Z: 101 79.378 2.298 1.083 0.587 0.920 0.610 CB 1.659 60 residues pruned to eliminate duplicates Z: 14 35.377 2.122 0.954 0.895 1.000 0.769 CA 1.696 14 residues pruned to eliminate duplicates Z: 65 63.438 2.310 0.807 0.593 0.984 0.734 CB 1.766 65 residues pruned to eliminate duplicates Z: 14 27.031 2.134 1.148 0.694 0.846 0.692 CB 1.618 14 residues pruned to eliminate duplicates Z: 105 76.529 2.266 1.016 0.579 0.913 0.663 CB 1.667 110 residues pruned to eliminate duplicates Z: 67 60.126 2.249 0.817 0.580 0.985 0.682 CB 1.702 67 residues pruned to eliminate duplicates Z: 35 37.489 2.175 0.912 0.668 0.824 0.529 CB 1.607 35 residues pruned to eliminate duplicates Z: 15 31.687 2.384 0.719 0.746 0.929 0.643 CA 1.787 15 residues pruned to eliminate duplicates Z: 67 62.714 2.310 0.947 0.585 0.939 0.712 CB 1.684 67 residues pruned to eliminate duplicates Z: 12 16.093 2.140 0.580 0.763 0.727 0.455 CB 1.563 12 residues pruned to eliminate duplicates Z: 16 25.399 2.132 0.564 0.883 0.933 0.600 CA 1.524 16 residues pruned to eliminate duplicates Z: 13 24.213 2.074 0.699 0.840 1.000 0.750 CB 1.480 13 residues pruned to eliminate duplicates Z: 46 41.749 2.145 0.902 0.576 0.889 0.467 CB 1.594 38 residues pruned to eliminate duplicates Z: 50 44.073 2.166 0.693 0.628 0.980 0.714 CB 1.554 47 residues pruned to eliminate duplicates Z: 15 31.466 2.028 0.857 0.868 1.000 0.857 CB 1.632 15 residues pruned to eliminate duplicates Z: 15 25.475 2.145 0.577 0.917 0.929 0.786 CA 1.529 15 residues pruned to eliminate duplicates Z: 15 23.236 2.126 0.554 0.853 0.929 0.643 CA 1.497 15 residues pruned to eliminate duplicates Z: 12 18.560 1.842 0.817 0.825 0.909 0.455 CB 1.388 14 residues pruned to eliminate duplicates Z: 12 23.304 2.170 0.993 0.800 0.818 0.364 CB 1.527 12 residues pruned to eliminate duplicates Z: 65 67.064 2.355 1.028 0.584 0.938 0.719 CA 1.728 65 residues pruned to eliminate duplicates Z: 64 67.020 2.293 1.018 0.629 0.968 0.794 CB 1.670 69 residues pruned to eliminate duplicates Z: 14 32.103 2.059 1.350 0.854 1.000 0.615 CB 1.359 14 residues pruned to eliminate duplicates Z: 6 6.994 2.119 0.204 0.697 0.800 0.800 CA 1.280 6 residues pruned to eliminate duplicates Z: 66 69.628 2.345 1.075 0.596 0.938 0.692 CA 1.726 66 residues pruned to eliminate duplicates Z: 43 33.088 2.073 0.949 0.491 0.905 0.524 CB 1.410 43 residues pruned to eliminate duplicates Z: 123 89.115 2.298 0.944 0.616 0.967 0.721 CB 1.673 129 residues pruned to eliminate duplicates Z: 64 67.039 2.353 0.979 0.578 0.968 0.714 CA 1.738 64 residues pruned to eliminate duplicates Z: 64 61.483 2.272 0.940 0.590 0.905 0.698 CB 1.782 64 residues pruned to eliminate duplicates Z: 61 56.628 2.253 0.867 0.625 0.950 0.817 CB 1.627 61 residues pruned to eliminate duplicates Z: 68 68.739 2.333 1.015 0.594 0.970 0.731 CB 1.683 68 residues pruned to eliminate duplicates Z: 64 69.774 2.370 1.029 0.591 0.968 0.683 CB 1.731 65 residues pruned to eliminate duplicates Z: 15 26.388 2.337 0.509 0.820 0.929 0.714 CA 1.632 15 residues pruned to eliminate duplicates Z: 67 67.545 2.296 1.050 0.588 0.970 0.697 CB 1.675 67 residues pruned to eliminate duplicates Z: 14 29.676 2.079 0.945 0.826 1.000 0.769 CB 1.535 14 residues pruned to eliminate duplicates Z: 78 58.094 2.213 0.823 0.598 0.948 0.779 CB 1.576 78 residues pruned to eliminate duplicates Z: 63 61.059 2.237 0.931 0.617 0.968 0.710 CB 1.660 63 residues pruned to eliminate duplicates Z: 14 33.351 2.180 1.263 0.888 1.000 0.692 CB 1.351 14 residues pruned to eliminate duplicates Z: 54 70.419 2.401 0.946 0.661 1.000 0.736 CA 1.784 54 residues pruned to eliminate duplicates Z: 40 40.428 2.188 0.930 0.667 0.846 0.615 CB 1.553 40 residues pruned to eliminate duplicates Z: 15 35.777 2.063 0.953 0.908 1.000 0.929 CA 1.686 15 residues pruned to eliminate duplicates Z: 64 65.368 2.333 0.862 0.609 0.984 0.714 CB 1.737 64 residues pruned to eliminate duplicates Z: 16 16.714 1.961 0.366 0.754 0.933 0.800 CB 1.376 16 residues pruned to eliminate duplicates Z: 62 56.601 2.259 0.824 0.600 0.951 0.721 CB 1.682 62 residues pruned to eliminate duplicates Z: 37 40.075 2.181 0.989 0.669 0.833 0.556 CB 1.581 37 residues pruned to eliminate duplicates Z: 13 33.689 2.188 1.080 0.897 1.000 0.917 CB 1.530 13 residues pruned to eliminate duplicates Z: 22 37.325 2.133 1.079 0.807 0.952 0.524 CB 1.476 23 residues pruned to eliminate duplicates Z: 12 33.358 2.127 1.397 0.720 1.000 1.000 CB 1.617 12 residues pruned to eliminate duplicates Z: 8 8.647 1.829 0.637 0.726 0.714 0.571 C 1.247 8 residues pruned to eliminate duplicates Z: 62 58.339 2.285 0.871 0.613 0.951 0.803 CB 1.651 62 residues pruned to eliminate duplicates Z: 54 33.542 2.079 0.904 0.495 0.849 0.547 CB 1.377 52 residues pruned to eliminate duplicates Z: 11 11.688 1.945 0.414 0.378 1.000 0.700 CB 1.530 11 residues pruned to eliminate duplicates Z: 15 29.933 2.125 0.875 0.888 1.000 0.857 CB 1.446 15 residues pruned to eliminate duplicates Z: 68 62.562 2.317 0.923 0.570 0.925 0.731 CB 1.733 68 residues pruned to eliminate duplicates Z: 14 28.822 2.151 1.018 0.861 0.923 0.846 CB 1.466 14 residues pruned to eliminate duplicates Z: 16 20.350 2.135 0.322 0.761 0.933 0.667 CA 1.582 16 residues pruned to eliminate duplicates Z: 69 62.346 2.255 0.937 0.619 0.956 0.765 CB 1.618 69 residues pruned to eliminate duplicates Z: 17 30.835 2.182 0.799 0.789 0.938 0.562 CB 1.626 17 residues pruned to eliminate duplicates Z: 38 41.386 2.100 1.018 0.637 0.892 0.595 CB 1.584 38 residues pruned to eliminate duplicates Z: 65 62.534 2.258 0.955 0.579 0.953 0.656 CB 1.722 65 residues pruned to eliminate duplicates Z: 13 30.768 2.090 1.102 0.852 1.000 0.833 CB 1.495 13 residues pruned to eliminate duplicates Z: 66 49.811 2.171 0.779 0.566 0.954 0.723 CB 1.573 66 residues pruned to eliminate duplicates Z: 15 28.051 2.169 0.545 0.893 1.000 0.786 CA 1.606 15 residues pruned to eliminate duplicates Z: 59 43.391 2.210 0.957 0.531 0.828 0.552 CB 1.544 59 residues pruned to eliminate duplicates Z: 50 54.283 2.282 0.855 0.621 0.980 0.694 CB 1.668 50 residues pruned to eliminate duplicates Z: 45 44.270 2.194 1.136 0.614 0.841 0.523 CB 1.521 45 residues pruned to eliminate duplicates Z: 72 59.542 2.260 0.907 0.556 0.958 0.662 CA 1.621 72 residues pruned to eliminate duplicates Z: 16 31.301 1.896 1.033 0.820 1.000 0.800 CA 1.589 16 residues pruned to eliminate duplicates Z: 15 20.526 2.142 0.265 0.915 0.929 0.857 CA 1.541 15 residues pruned to eliminate duplicates Z: 17 22.950 2.035 0.467 0.877 1.000 0.688 CA 1.396 17 residues pruned to eliminate duplicates Z: 62 55.173 2.234 0.828 0.598 0.951 0.738 CB 1.657 62 residues pruned to eliminate duplicates Z: 17 21.702 2.163 0.421 0.734 0.875 0.625 CA 1.635 17 residues pruned to eliminate duplicates Z: 61 56.926 2.260 0.914 0.609 0.950 0.667 CB 1.612 61 residues pruned to eliminate duplicates Z: 14 27.379 2.046 0.978 0.851 1.000 0.846 CA 1.389 14 residues pruned to eliminate duplicates Z: 16 26.706 2.243 0.718 0.756 0.867 0.467 CB 1.644 16 residues pruned to eliminate duplicates Z: 15 32.948 2.302 0.817 0.794 0.929 0.643 CA 1.751 15 residues pruned to eliminate duplicates Z: 27 38.669 2.217 1.125 0.690 0.885 0.538 CB 1.528 27 residues pruned to eliminate duplicates Z: 64 65.306 2.287 0.890 0.594 0.984 0.714 CA 1.769 64 residues pruned to eliminate duplicates Z: 56 66.972 2.351 0.946 0.651 1.000 0.709 CA 1.715 56 residues pruned to eliminate duplicates Z: 16 25.483 2.182 0.480 0.831 0.933 0.600 CB 1.639 16 residues pruned to eliminate duplicates Z: 64 66.662 2.277 1.008 0.585 0.968 0.683 CB 1.748 64 residues pruned to eliminate duplicates Z: 62 61.780 2.348 0.871 0.593 0.951 0.672 CB 1.733 62 residues pruned to eliminate duplicates Z: 41 50.987 2.249 1.123 0.643 0.925 0.700 CB 1.598 41 residues pruned to eliminate duplicates Z: 36 43.475 2.187 1.165 0.666 0.829 0.486 CB 1.607 36 residues pruned to eliminate duplicates Z: 16 21.964 2.130 0.265 0.912 1.000 0.933 CA 1.489 16 residues pruned to eliminate duplicates Z: 13 30.071 2.231 0.984 0.909 0.917 0.917 CB 1.518 13 residues pruned to eliminate duplicates Z: 62 61.295 2.261 0.986 0.631 0.951 0.770 CA 1.625 62 residues pruned to eliminate duplicates Z: 63 63.047 2.274 0.934 0.585 0.968 0.629 CB 1.734 63 residues pruned to eliminate duplicates Z: 16 18.711 2.130 0.515 0.790 0.800 0.667 CA 1.452 16 residues pruned to eliminate duplicates Z: 117 84.795 2.299 0.942 0.605 0.957 0.724 CB 1.668 117 residues pruned to eliminate duplicates Z: 66 63.896 2.317 0.898 0.595 0.954 0.708 CB 1.726 66 residues pruned to eliminate duplicates Z: 17 13.328 1.785 0.332 0.842 0.812 0.688 CA 1.286 17 residues pruned to eliminate duplicates Z: 62 65.070 2.338 0.919 0.598 0.967 0.738 CB 1.748 62 residues pruned to eliminate duplicates Z: 16 23.976 2.150 0.546 0.903 0.867 0.867 CB 1.531 16 residues pruned to eliminate duplicates Z: 15 28.896 1.963 1.154 0.877 1.000 0.786 CB 1.326 15 residues pruned to eliminate duplicates Z: 61 61.742 2.270 1.004 0.622 0.967 0.800 CB 1.616 61 residues pruned to eliminate duplicates Z: 14 28.755 2.285 0.681 0.911 1.000 0.692 CA 1.471 14 residues pruned to eliminate duplicates Z: 11 15.324 1.893 0.621 0.844 0.900 0.700 CB 1.305 11 residues pruned to eliminate duplicates Z: 103 80.866 2.273 1.078 0.606 0.922 0.657 CB 1.663 103 residues pruned to eliminate duplicates Z: 14 34.391 2.123 0.894 0.881 1.000 0.846 CB 1.717 14 residues pruned to eliminate duplicates Z: 128 90.882 2.299 0.960 0.609 0.969 0.685 CB 1.665 66 residues pruned to eliminate duplicates Z: 14 36.348 2.105 1.253 0.896 1.000 0.769 CB 1.523 14 residues pruned to eliminate duplicates Z: 102 74.699 2.294 0.926 0.606 0.911 0.683 CB 1.670 63 residues pruned to eliminate duplicates Z: 14 30.674 2.209 0.590 0.912 1.000 0.538 CB 1.716 14 residues pruned to eliminate duplicates Z: 14 27.086 2.204 0.496 0.945 1.000 0.769 CB 1.576 14 residues pruned to eliminate duplicates Z: 68 62.477 2.274 0.955 0.594 0.955 0.761 CB 1.643 68 residues pruned to eliminate duplicates Z: 38 45.735 2.281 1.157 0.576 0.919 0.757 CA 1.545 36 residues pruned to eliminate duplicates Z: 54 69.273 2.363 0.950 0.661 1.000 0.755 CB 1.778 54 residues pruned to eliminate duplicates Z: 14 25.341 2.185 0.341 0.939 1.000 0.923 CA 1.667 14 residues pruned to eliminate duplicates Z: 13 26.966 2.078 1.261 0.637 0.917 0.667 CB 1.590 13 residues pruned to eliminate duplicates Z: 59 61.235 2.275 0.953 0.634 0.966 0.707 CB 1.653 59 residues pruned to eliminate duplicates Z: 21 37.668 2.099 1.077 0.828 0.950 0.550 CB 1.531 21 residues pruned to eliminate duplicates Z: 60 61.157 2.293 0.868 0.614 0.932 0.712 CB 1.790 60 residues pruned to eliminate duplicates Z: 15 20.112 2.162 0.123 0.882 1.000 0.857 CA 1.602 15 residues pruned to eliminate duplicates Z: 67 54.674 2.218 0.850 0.568 0.924 0.682 CB 1.661 67 residues pruned to eliminate duplicates Z: 35 46.411 2.224 1.111 0.622 0.912 0.588 CB 1.656 36 residues pruned to eliminate duplicates Z: 13 39.709 2.243 1.297 0.909 1.000 1.000 CB 1.579 13 residues pruned to eliminate duplicates Z: 14 31.977 2.069 1.041 0.879 1.000 0.846 CA 1.522 14 residues pruned to eliminate duplicates Z: 11 18.499 1.983 0.568 0.770 1.000 0.700 CB 1.482 11 residues pruned to eliminate duplicates Z: 16 34.387 2.072 1.045 0.875 1.000 0.867 CB 1.524 16 residues pruned to eliminate duplicates Z: 15 23.154 2.113 0.432 0.946 1.000 1.000 CB 1.414 15 residues pruned to eliminate duplicates Z: 17 25.702 2.206 0.673 0.586 1.000 0.875 CB 1.604 17 residues pruned to eliminate duplicates Z: 50 52.412 2.239 0.916 0.636 0.980 0.735 CB 1.568 50 residues pruned to eliminate duplicates Z: 18 16.685 2.017 0.304 0.760 0.882 0.588 CA 1.383 18 residues pruned to eliminate duplicates Z: 15 27.188 2.272 0.592 0.759 0.929 0.429 CB 1.719 15 residues pruned to eliminate duplicates Z: 61 70.697 2.352 1.040 0.611 0.983 0.750 CB 1.741 61 residues pruned to eliminate duplicates Z: 17 17.062 1.972 0.446 0.760 0.812 0.625 CB 1.461 17 residues pruned to eliminate duplicates Z: 17 27.919 2.097 1.235 0.552 0.875 0.688 CA 1.618 17 residues pruned to eliminate duplicates Z: 16 34.664 2.194 1.094 0.879 1.000 0.733 CA 1.413 16 residues pruned to eliminate duplicates Z: 64 62.596 2.332 0.839 0.607 0.952 0.746 CB 1.744 64 residues pruned to eliminate duplicates Z: 22 38.087 2.095 1.068 0.802 0.952 0.571 CB 1.547 22 residues pruned to eliminate duplicates Z: 17 24.931 2.205 0.588 0.718 0.875 0.625 CA 1.670 17 residues pruned to eliminate duplicates Z: 17 19.467 2.081 0.351 0.766 0.938 0.625 CA 1.458 17 residues pruned to eliminate duplicates Z: 41 38.562 2.137 0.892 0.616 0.850 0.550 CB 1.589 37 residues pruned to eliminate duplicates Z: 17 27.935 2.169 0.653 0.864 0.875 0.625 CA 1.632 17 residues pruned to eliminate duplicates Z: 15 27.334 2.062 0.869 0.949 1.000 0.857 CB 1.308 15 residues pruned to eliminate duplicates Z: 15 21.126 2.191 0.264 0.933 0.929 0.857 CB 1.531 15 residues pruned to eliminate duplicates Z: 14 26.559 2.050 0.806 0.839 1.000 0.923 CA 1.486 14 residues pruned to eliminate duplicates Z: 59 68.003 2.362 0.974 0.629 0.983 0.707 CB 1.726 59 residues pruned to eliminate duplicates Z: 15 36.322 2.154 0.972 0.945 1.000 0.857 CB 1.581 15 residues pruned to eliminate duplicates Z: 16 27.147 2.216 0.679 0.896 0.933 0.667 CA 1.445 16 residues pruned to eliminate duplicates Z: 61 58.927 2.270 0.811 0.611 0.950 0.700 CA 1.754 61 residues pruned to eliminate duplicates Z: 64 64.990 2.258 1.030 0.614 0.968 0.730 CB 1.656 64 residues pruned to eliminate duplicates Z: 15 28.264 2.098 0.823 0.861 0.929 0.786 CB 1.564 15 residues pruned to eliminate duplicates Z: 12 16.331 1.921 0.773 0.822 0.909 0.455 CB 1.203 12 residues pruned to eliminate duplicates Z: 16 31.359 2.108 0.722 0.926 1.000 0.800 CA 1.564 16 residues pruned to eliminate duplicates Z: 12 25.566 2.108 0.959 0.889 1.000 0.909 CB 1.344 Z: 16 28.895 2.137 0.669 0.896 0.933 0.667 CB 1.605 16 residues pruned to eliminate duplicates Z: 106 76.446 2.226 0.973 0.634 0.952 0.743 CB 1.573 145 residues pruned to eliminate duplicates Z: 24 30.424 1.931 0.749 0.863 0.913 0.565 CB 1.509 24 residues pruned to eliminate duplicates Z: 13 12.151 1.774 0.688 0.750 0.833 0.667 CB 1.125 13 residues pruned to eliminate duplicates Z: 17 34.362 2.303 1.056 0.537 1.000 0.688 CB 1.750 17 residues pruned to eliminate duplicates Z: 26 47.889 2.251 1.227 0.728 0.960 0.560 CB 1.621 26 residues pruned to eliminate duplicates Z: 14 23.463 2.074 0.801 0.876 0.923 0.769 CB 1.372 14 residues pruned to eliminate duplicates Z: 63 56.919 2.206 0.936 0.588 0.952 0.645 CB 1.635 63 residues pruned to eliminate duplicates Z: 14 35.301 2.327 0.893 0.940 1.000 0.846 CA 1.544 14 residues pruned to eliminate duplicates Z: 65 68.423 2.342 1.031 0.586 0.969 0.672 CA 1.709 66 residues pruned to eliminate duplicates Z: 66 50.552 2.233 0.685 0.572 0.938 0.708 CB 1.657 66 residues pruned to eliminate duplicates Z: 12 17.246 1.890 0.701 0.808 0.909 0.545 CB 1.360 12 residues pruned to eliminate duplicates Z: 66 64.961 2.324 0.947 0.589 0.954 0.723 CA 1.715 66 residues pruned to eliminate duplicates Z: 66 61.768 2.271 0.862 0.586 0.954 0.692 CB 1.749 66 residues pruned to eliminate duplicates Z: 10 20.060 1.967 0.809 0.820 1.000 0.778 CA 1.423 Z: 14 30.522 2.143 1.372 0.703 0.923 0.769 CB 1.500 14 residues pruned to eliminate duplicates Z: 13 16.011 2.134 0.443 0.769 0.750 0.500 CB 1.577 13 residues pruned to eliminate duplicates Z: 32 38.748 2.171 1.062 0.612 0.903 0.484 CB 1.548 32 residues pruned to eliminate duplicates Z: 14 36.780 2.101 1.302 0.894 1.000 0.769 CB 1.513 Z: 14 29.156 2.101 0.960 0.873 1.000 0.923 CB 1.431 14 residues pruned to eliminate duplicates Z: 15 33.376 2.154 0.914 0.904 1.000 0.857 CB 1.541 15 residues pruned to eliminate duplicates Z: 28 24.336 1.952 1.014 0.616 0.778 0.556 CB 1.372 14 residues pruned to eliminate duplicates Z: 14 18.325 2.113 0.571 0.727 0.846 0.538 CB 1.475 14 residues pruned to eliminate duplicates Z: 14 27.847 2.094 0.912 0.938 1.000 0.538 CB 1.341 14 residues pruned to eliminate duplicates Z: 15 16.396 1.973 0.313 0.814 0.929 0.571 CB 1.386 15 residues pruned to eliminate duplicates Z: 17 31.349 2.213 0.887 0.719 0.938 0.438 CA 1.643 17 residues pruned to eliminate duplicates Z: 14 33.467 2.237 0.804 0.925 1.000 0.769 CB 1.614 14 residues pruned to eliminate duplicates Z: 15 32.188 2.044 0.980 0.882 1.000 0.857 CB 1.539 15 residues pruned to eliminate duplicates Z: 10 7.657 1.937 1.280 0.198 0.556 0.333 CB 1.490 10 residues pruned to eliminate duplicates Z: 15 24.107 1.828 0.901 0.902 1.000 0.929 CB 1.323 14 residues pruned to eliminate duplicates Z: 9 25.234 1.976 1.372 0.773 1.000 1.000 CA 1.495 9 residues pruned to eliminate duplicates Z: 14 37.976 2.307 1.064 0.933 1.000 0.615 CA 1.543 14 residues pruned to eliminate duplicates Z: 12 13.666 1.796 0.803 0.777 1.000 0.545 CB 0.996 11 residues pruned to eliminate duplicates Z: 62 58.661 2.263 0.921 0.609 0.951 0.787 CB 1.638 62 residues pruned to eliminate duplicates Z: 11 23.550 1.993 1.277 0.720 0.900 0.900 CB 1.494 11 residues pruned to eliminate duplicates Z: 60 57.935 2.279 0.881 0.613 0.949 0.763 CB 1.665 59 residues pruned to eliminate duplicates Z: 20 29.018 2.044 0.856 0.849 0.895 0.737 CB 1.454 20 residues pruned to eliminate duplicates Z: 15 29.465 1.969 0.948 0.873 1.000 0.714 CB 1.495 15 residues pruned to eliminate duplicates Z: 13 27.068 2.157 1.175 0.837 0.917 0.750 CB 1.359 13 residues pruned to eliminate duplicates Z: 41 55.096 2.357 0.901 0.703 0.975 0.700 CA 1.657 41 residues pruned to eliminate duplicates Z: 65 65.883 2.326 0.962 0.586 0.953 0.672 CA 1.743 65 residues pruned to eliminate duplicates Z: 11 18.377 1.866 0.700 0.905 1.000 0.800 CA 1.303 11 residues pruned to eliminate duplicates Z: 66 59.686 2.265 0.817 0.579 0.954 0.615 CB 1.747 66 residues pruned to eliminate duplicates Z: 16 25.431 1.982 1.260 0.635 0.867 0.733 CB 1.490 16 residues pruned to eliminate duplicates Z: 15 30.002 2.077 0.889 0.877 1.000 0.786 CA 1.484 15 residues pruned to eliminate duplicates Z: 26 25.882 1.926 1.132 0.505 0.840 0.520 CB 1.493 26 residues pruned to eliminate duplicates Z: 94 70.760 2.267 1.006 0.552 0.925 0.699 CB 1.659 142 residues pruned to eliminate duplicates Z: 15 35.155 2.136 1.068 0.887 1.000 0.786 CB 1.533 Z: 18 25.289 2.135 0.785 0.585 1.000 0.647 CB 1.484 18 residues pruned to eliminate duplicates Z: 15 15.148 2.154 0.300 0.789 0.714 0.571 CA 1.570 15 residues pruned to eliminate duplicates Z: 16 36.512 2.225 1.095 0.912 1.000 0.733 CA 1.433 16 residues pruned to eliminate duplicates Z: 21 34.746 2.065 0.919 0.911 0.950 0.850 CB 1.462 23 residues pruned to eliminate duplicates Z: 10 22.037 2.352 0.496 0.772 0.889 0.444 CB 1.846 10 residues pruned to eliminate duplicates Z: 11 13.584 1.873 0.703 0.819 0.900 0.600 CB 1.135 11 residues pruned to eliminate duplicates Z: 15 23.506 1.999 0.974 0.826 0.929 0.643 CB 1.293 14 residues pruned to eliminate duplicates Z: 8 13.600 1.946 0.731 0.878 0.857 0.714 CA 1.292 8 residues pruned to eliminate duplicates Z: 17 17.761 2.053 0.353 0.766 0.875 0.562 CA 1.443 17 residues pruned to eliminate duplicates Z: 23 27.234 2.052 0.733 0.796 0.864 0.636 CB 1.459 14 residues pruned to eliminate duplicates Z: 10 8.563 1.870 -0.061 0.637 1.000 0.556 O 1.430 Z: 13 19.824 2.271 0.500 0.759 0.833 0.500 CB 1.601 13 residues pruned to eliminate duplicates Z: 7 10.284 2.112 0.679 0.366 0.833 0.500 C 1.641 7 residues pruned to eliminate duplicates Z: 15 20.930 2.113 0.424 0.863 0.929 0.857 CB 1.469 15 residues pruned to eliminate duplicates Z: 38 26.892 1.951 0.922 0.643 0.811 0.486 CB 1.272 28 residues pruned to eliminate duplicates Z: 8 4.435 1.675 0.805 0.393 1.000 0.571 CB 0.621 8 residues pruned to eliminate duplicates Z: 16 13.070 1.993 1.103 0.319 0.733 0.467 CB 1.340 16 residues pruned to eliminate duplicates Z: 15 32.181 2.166 0.761 0.928 1.000 0.857 CA 1.579 15 residues pruned to eliminate duplicates Z: 10 6.382 1.859 0.100 0.553 0.778 0.556 CB 1.270 10 residues pruned to eliminate duplicates Z: 13 30.936 2.265 0.995 0.866 0.917 0.667 CB 1.578 13 residues pruned to eliminate duplicates Z: 70 61.982 2.251 0.954 0.569 0.942 0.681 CB 1.685 70 residues pruned to eliminate duplicates Z: 16 19.840 1.992 0.472 0.870 0.933 0.733 CB 1.366 16 residues pruned to eliminate duplicates Z: 16 28.129 2.058 0.852 0.913 1.000 0.733 CB 1.349 16 residues pruned to eliminate duplicates Z: 100 69.961 2.219 1.077 0.568 0.939 0.636 CB 1.521 106 residues pruned to eliminate duplicates Z: 12 24.107 2.015 1.202 0.921 1.000 1.000 CB 1.153 12 residues pruned to eliminate duplicates Z: 8 20.867 2.183 0.602 0.893 1.000 0.571 CA 1.619 8 residues pruned to eliminate duplicates Z: 16 23.737 2.209 0.635 0.774 0.867 0.533 CA 1.537 16 residues pruned to eliminate duplicates Z: 21 30.870 2.028 1.114 0.877 0.900 0.650 CB 1.299 21 residues pruned to eliminate duplicates Z: 126 86.461 2.297 0.931 0.608 0.936 0.752 CB 1.681 126 residues pruned to eliminate duplicates Z: 20 28.830 2.253 0.760 0.459 1.000 0.684 CB 1.740 20 residues pruned to eliminate duplicates Z: 12 30.143 2.241 0.785 0.876 1.000 0.636 CA 1.651 12 residues pruned to eliminate duplicates Z: 13 31.373 2.101 1.023 0.874 1.000 0.833 CB 1.551 13 residues pruned to eliminate duplicates Z: 14 32.609 2.363 0.846 0.781 0.923 0.538 CA 1.753 14 residues pruned to eliminate duplicates Z: 7 10.587 1.900 1.469 0.405 0.833 0.500 CB 1.222 7 residues pruned to eliminate duplicates Z: 10 17.145 1.979 0.612 0.854 1.000 0.778 CB 1.324 10 residues pruned to eliminate duplicates Z: 15 20.651 1.872 0.899 0.870 0.929 0.786 CB 1.220 15 residues pruned to eliminate duplicates Z: 13 14.996 1.902 0.338 0.818 0.917 0.667 CB 1.408 13 residues pruned to eliminate duplicates Z: 9 8.340 1.919 0.801 0.251 0.875 0.375 CB 1.298 9 residues pruned to eliminate duplicates Z: 15 32.279 2.300 0.829 0.773 1.000 0.643 CA 1.611 15 residues pruned to eliminate duplicates Z: 9 11.847 1.931 0.498 0.755 0.875 0.500 CB 1.319 Z: 27 32.075 2.156 0.849 0.617 0.885 0.500 CB 1.597 23 residues pruned to eliminate duplicates Z: 15 30.341 2.167 0.689 0.924 1.000 0.571 CB 1.556 15 residues pruned to eliminate duplicates Z: 12 18.804 2.194 0.514 0.812 0.909 0.545 CB 1.431 Z: 27 34.119 1.953 1.159 0.819 0.885 0.731 CB 1.360 27 residues pruned to eliminate duplicates Z: 8 5.931 1.923 -0.332 0.760 1.000 0.857 CB 1.384 Z: 61 59.758 2.286 0.949 0.591 0.933 0.767 CB 1.700 73 residues pruned to eliminate duplicates Z: 11 15.793 1.955 0.618 0.789 0.900 0.400 CB 1.362 11 residues pruned to eliminate duplicates Z: 11 29.822 2.245 1.303 0.720 0.900 0.800 CA 1.661 Z: 11 17.593 1.918 1.020 0.826 0.900 0.400 CB 1.204 11 residues pruned to eliminate duplicates Z: 14 26.356 2.109 0.774 0.950 1.000 1.000 CB 1.347 14 residues pruned to eliminate duplicates Z: 15 22.757 2.092 0.484 0.906 1.000 0.929 CB 1.394 15 residues pruned to eliminate duplicates Z: 15 28.914 2.163 0.582 0.904 1.000 0.929 CB 1.609 15 residues pruned to eliminate duplicates Z: 10 19.985 2.001 0.773 0.832 1.000 0.556 CB 1.410 10 residues pruned to eliminate duplicates Z: 16 23.400 2.068 0.537 0.780 1.000 0.667 CB 1.485 16 residues pruned to eliminate duplicates Z: 15 23.467 2.051 0.513 0.908 1.000 0.857 CB 1.435 15 residues pruned to eliminate duplicates Z: 14 28.961 1.966 1.045 0.920 1.000 0.923 CB 1.407 14 residues pruned to eliminate duplicates Z: 12 14.102 1.871 0.614 0.718 1.000 0.727 CB 1.156 11 residues pruned to eliminate duplicates Z: 10 15.534 1.899 0.947 0.784 0.778 0.444 CA 1.403 10 residues pruned to eliminate duplicates Z: 72 60.479 2.231 0.890 0.571 0.958 0.690 CB 1.659 13 residues pruned to eliminate duplicates Z: 49 48.497 2.132 1.177 0.640 0.896 0.646 CB 1.476 49 residues pruned to eliminate duplicates Z: 18 19.069 2.019 0.821 0.414 0.882 0.471 CA 1.559 18 residues pruned to eliminate duplicates Z: 21 21.247 2.207 0.818 0.410 0.800 0.500 CA 1.626 21 residues pruned to eliminate duplicates Z: 9 9.925 1.862 0.412 0.662 0.875 0.375 CB 1.312 9 residues pruned to eliminate duplicates Z: 12 18.231 1.943 0.764 0.838 0.818 0.636 CB 1.466 12 residues pruned to eliminate duplicates Z: 14 22.822 2.068 0.865 0.477 1.000 0.769 CA 1.680 14 residues pruned to eliminate duplicates Z: 12 16.203 1.765 0.911 0.845 0.818 0.727 CB 1.316 12 residues pruned to eliminate duplicates Z: 28 29.926 2.129 0.964 0.606 0.815 0.296 CB 1.528 28 residues pruned to eliminate duplicates Z: 15 24.619 2.170 0.641 0.856 0.929 0.857 CB 1.468 15 residues pruned to eliminate duplicates Z: 14 31.032 1.997 1.049 0.903 1.000 1.000 CA 1.500 14 residues pruned to eliminate duplicates Z: 15 22.986 2.251 0.420 0.758 0.929 0.571 CA 1.645 15 residues pruned to eliminate duplicates Z: 62 56.230 2.247 0.795 0.627 0.984 0.738 CB 1.610 62 residues pruned to eliminate duplicates Z: 14 35.608 2.112 1.209 0.911 1.000 0.538 CA 1.501 14 residues pruned to eliminate duplicates Z: 24 33.284 1.944 1.059 0.844 0.913 0.522 CB 1.412 24 residues pruned to eliminate duplicates Z: 15 29.628 2.174 0.688 0.933 1.000 0.857 CB 1.506 15 residues pruned to eliminate duplicates Z: 31 45.142 2.299 1.047 0.640 0.933 0.833 CB 1.646 31 residues pruned to eliminate duplicates Z: 7 7.413 1.920 -0.014 0.686 0.833 0.500 CB 1.618 Z: 12 26.631 2.037 0.979 0.919 1.000 0.818 CB 1.404 12 residues pruned to eliminate duplicates Z: 16 30.116 2.127 0.784 0.914 0.933 0.533 CA 1.552 16 residues pruned to eliminate duplicates Z: 15 20.244 2.014 0.810 0.672 0.857 0.786 CB 1.478 15 residues pruned to eliminate duplicates Z: 66 54.017 2.258 0.699 0.588 0.954 0.708 CB 1.683 66 residues pruned to eliminate duplicates Z: 16 19.754 2.185 0.865 0.513 0.800 0.600 CA 1.545 16 residues pruned to eliminate duplicates Z: 15 28.886 2.196 0.816 0.878 1.000 0.857 CA 1.405 15 residues pruned to eliminate duplicates Z: 13 13.906 1.796 0.679 0.782 1.000 0.750 CB 1.039 13 residues pruned to eliminate duplicates Z: 10 22.042 2.110 0.773 0.928 1.000 1.000 CB 1.375 10 residues pruned to eliminate duplicates Z: 22 32.585 2.097 0.970 0.791 0.857 0.714 CB 1.556 22 residues pruned to eliminate duplicates Z: 15 20.635 2.040 0.458 0.920 1.000 0.857 CB 1.305 15 residues pruned to eliminate duplicates Z: 23 22.649 2.068 0.691 0.467 0.909 0.591 CB 1.571 23 residues pruned to eliminate duplicates Z: 16 32.228 1.999 0.909 0.882 1.000 0.800 CA 1.577 16 residues pruned to eliminate duplicates Z: 13 18.506 2.176 0.129 0.899 1.000 1.000 CB 1.555 13 residues pruned to eliminate duplicates Z: 38 31.362 2.148 0.938 0.557 0.838 0.514 CB 1.399 12 residues pruned to eliminate duplicates Z: 15 31.333 2.341 0.935 0.733 0.857 0.500 CA 1.749 15 residues pruned to eliminate duplicates Z: 19 24.510 2.055 0.783 0.514 1.000 0.667 CA 1.555 19 residues pruned to eliminate duplicates Z: 17 26.648 2.152 0.869 0.850 0.938 0.688 CA 1.310 17 residues pruned to eliminate duplicates Z: 12 19.118 1.998 0.750 0.841 0.909 0.909 CB 1.353 12 residues pruned to eliminate duplicates Z: 16 22.825 2.059 0.490 0.911 1.000 0.667 CB 1.361 16 residues pruned to eliminate duplicates Z: 16 32.342 2.020 1.216 0.896 1.000 0.867 CB 1.336 18 residues pruned to eliminate duplicates Z: 6 8.481 1.481 0.725 0.812 1.000 0.600 CA 1.132 Z: 11 7.865 1.734 -0.058 0.635 1.000 0.600 N 1.341 6 residues pruned to eliminate duplicates Z: 17 24.868 1.946 0.674 0.921 1.000 0.875 CA 1.343 17 residues pruned to eliminate duplicates Z: 70 65.097 2.299 0.996 0.587 0.957 0.696 CB 1.642 76 residues pruned to eliminate duplicates Z: 15 31.877 2.414 0.857 0.738 0.857 0.571 CA 1.791 15 residues pruned to eliminate duplicates Z: 55 65.212 2.340 1.105 0.612 0.981 0.630 CA 1.650 55 residues pruned to eliminate duplicates Z: 15 32.603 2.168 1.074 0.890 0.929 0.786 CB 1.501 15 residues pruned to eliminate duplicates Z: 7 9.627 2.016 1.070 0.486 0.667 0.667 CA 1.433 7 residues pruned to eliminate duplicates Z: 57 60.259 2.322 0.961 0.617 0.964 0.768 CA 1.642 32 residues pruned to eliminate duplicates Z: 9 7.437 1.854 -0.223 0.726 1.000 0.625 CB 1.488 9 residues pruned to eliminate duplicates Z: 14 24.447 2.162 1.166 0.668 0.769 0.769 CB 1.610 14 residues pruned to eliminate duplicates Z: 36 44.643 2.237 1.064 0.617 0.914 0.743 CB 1.600 36 residues pruned to eliminate duplicates Z: 36 30.465 2.115 0.937 0.441 0.857 0.543 CA 1.559 36 residues pruned to eliminate duplicates Z: 15 37.245 2.125 1.026 0.942 1.000 0.500 CA 1.603 15 residues pruned to eliminate duplicates Z: 8 8.756 1.847 0.593 0.416 1.000 0.714 CB 1.228 8 residues pruned to eliminate duplicates Z: 11 3.929 1.621 0.598 0.404 0.800 0.600 CB 0.663 Z: 39 30.668 1.929 0.979 0.648 0.895 0.684 CB 1.269 39 residues pruned to eliminate duplicates Z: 12 11.456 1.771 0.467 0.807 0.909 0.727 CB 1.119 12 residues pruned to eliminate duplicates Z: 8 16.222 1.882 1.107 0.853 1.000 0.714 CB 1.142 8 residues pruned to eliminate duplicates Z: 12 18.547 1.840 0.759 0.829 0.909 0.545 CB 1.430 12 residues pruned to eliminate duplicates Z: 7 11.855 1.965 0.599 0.788 1.000 0.667 CA 1.196 7 residues pruned to eliminate duplicates Z: 127 79.078 2.230 0.963 0.587 0.921 0.675 CB 1.609 127 residues pruned to eliminate duplicates Z: 38 43.523 2.178 1.012 0.641 0.892 0.595 CB 1.605 40 residues pruned to eliminate duplicates Z: 6 3.219 1.507 0.115 0.451 0.800 0.400 CB 1.127 Z: 64 75.128 2.364 1.061 0.636 0.968 0.730 CB 1.767 64 residues pruned to eliminate duplicates Z: 13 22.257 2.034 0.592 0.874 1.000 0.917 CB 1.444 13 residues pruned to eliminate duplicates Z: 6 5.425 1.796 -0.321 0.838 1.000 0.800 O 1.487 Z: 11 10.976 1.881 0.516 0.800 0.900 0.600 CB 1.041 11 residues pruned to eliminate duplicates Z: 63 61.684 2.271 0.853 0.585 0.984 0.677 CA 1.744 64 residues pruned to eliminate duplicates Z: 52 64.462 2.366 0.904 0.636 1.000 0.765 CA 1.764 53 residues pruned to eliminate duplicates Z: 35 38.534 2.220 0.930 0.587 0.912 0.765 CB 1.557 35 residues pruned to eliminate duplicates Z: 16 27.261 2.184 0.763 0.758 0.933 0.600 CA 1.557 Z: 14 26.650 2.051 0.862 0.856 1.000 0.692 CA 1.428 14 residues pruned to eliminate duplicates Z: 14 25.077 2.124 0.502 0.909 1.000 0.923 CB 1.547 14 residues pruned to eliminate duplicates Z: 28 29.897 2.022 1.170 0.649 0.852 0.481 CB 1.340 28 residues pruned to eliminate duplicates Z: 61 57.359 2.218 0.859 0.619 0.983 0.750 CB 1.632 61 residues pruned to eliminate duplicates Z: 7 2.703 1.422 0.457 0.246 0.833 0.500 CB 0.857 7 residues pruned to eliminate duplicates Z: 16 17.776 2.037 0.427 0.822 0.867 0.800 CA 1.378 16 residues pruned to eliminate duplicates Z: 7 6.490 1.557 0.757 0.596 0.833 0.167 CA 1.060 7 residues pruned to eliminate duplicates Z: 32 29.901 2.136 0.841 0.607 0.839 0.710 CB 1.471 32 residues pruned to eliminate duplicates Z: 69 60.499 2.277 0.961 0.552 0.956 0.662 CB 1.634 85 residues pruned to eliminate duplicates Z: 128 92.287 2.307 0.974 0.609 0.961 0.717 CB 1.689 160 residues pruned to eliminate duplicates Z: 56 69.949 2.324 1.071 0.657 0.982 0.618 CB 1.724 56 residues pruned to eliminate duplicates Z: 16 14.732 1.867 0.434 0.783 0.800 0.467 CB 1.384 16 residues pruned to eliminate duplicates Z: 9 8.165 1.738 0.223 0.854 0.875 0.750 CB 1.147 9 residues pruned to eliminate duplicates Z: 7 8.942 1.828 0.654 0.524 0.833 0.500 CA 1.414 7 residues pruned to eliminate duplicates Z: 12 19.106 2.157 0.649 0.873 0.909 0.636 CA 1.298 12 residues pruned to eliminate duplicates 6 1.635 1.689 0.398 0.300 0.600 0.400 CB 0.646 ? Z: 44 32.042 1.999 0.745 0.540 0.907 0.512 CB 1.485 56 residues pruned to eliminate duplicates Z: 27 31.968 2.021 1.119 0.735 0.923 0.692 CB 1.284 27 residues pruned to eliminate duplicates Z: 16 24.380 1.986 0.687 0.852 1.000 0.733 CB 1.389 16 residues pruned to eliminate duplicates Z: 10 9.383 1.777 0.366 0.773 0.778 0.667 CA 1.301 10 residues pruned to eliminate duplicates Z: 13 15.510 1.831 0.574 0.837 0.833 0.583 CA 1.394 13 residues pruned to eliminate duplicates Z: 9 11.878 1.796 0.437 0.826 1.000 0.750 CB 1.227 9 residues pruned to eliminate duplicates Z: 18 15.397 2.040 0.173 0.756 0.882 0.647 CA 1.408 18 residues pruned to eliminate duplicates Z: 110 87.804 2.325 0.951 0.623 0.936 0.661 CA 1.764 104 residues pruned to eliminate duplicates Z: 16 30.991 2.072 0.847 0.922 1.000 0.800 CA 1.470 16 residues pruned to eliminate duplicates Z: 6 4.735 1.498 1.010 0.637 1.000 0.600 C 0.618 Z: 68 60.214 2.286 1.073 0.551 0.896 0.642 CB 1.649 64 residues pruned to eliminate duplicates Z: 11 14.310 2.004 0.629 0.798 0.800 0.400 CB 1.335 11 residues pruned to eliminate duplicates Z: 19 29.906 2.100 1.135 0.541 0.944 0.667 CB 1.598 19 residues pruned to eliminate duplicates Z: 10 8.544 1.691 0.053 0.594 1.000 0.778 CB 1.462 7 residues pruned to eliminate duplicates Z: 9 9.179 1.840 -0.120 0.759 1.000 0.500 N 1.592 8 residues pruned to eliminate duplicates Z: 12 23.727 2.091 1.203 0.708 0.909 0.909 CB 1.415 12 residues pruned to eliminate duplicates Z: 43 54.769 2.214 1.034 0.670 0.976 0.690 CB 1.642 43 residues pruned to eliminate duplicates Z: 14 24.266 1.984 0.889 0.909 1.000 0.769 CB 1.275 Z: 16 24.925 2.090 0.645 0.768 1.000 0.800 CB 1.476 16 residues pruned to eliminate duplicates Z: 15 28.008 1.893 0.990 0.906 1.000 0.786 CB 1.414 14 residues pruned to eliminate duplicates Z: 13 31.292 2.051 1.163 0.867 1.000 0.833 CA 1.490 Z: 8 9.163 1.625 0.535 0.885 1.000 1.000 CB 1.002 Z: 49 53.574 2.302 0.970 0.597 0.938 0.708 CA 1.659 49 residues pruned to eliminate duplicates Z: 11 5.901 1.701 0.708 0.186 0.700 0.300 CA 1.338 Z: 16 19.599 2.101 0.342 0.785 0.933 0.733 CA 1.497 16 residues pruned to eliminate duplicates Z: 13 33.804 2.224 1.327 0.755 0.917 0.917 CB 1.639 13 residues pruned to eliminate duplicates Z: 12 17.156 2.072 0.504 0.767 0.909 0.636 CA 1.441 12 residues pruned to eliminate duplicates Z: 18 15.185 2.021 0.657 0.446 0.824 0.588 CA 1.412 18 residues pruned to eliminate duplicates Z: 7 3.633 1.419 0.455 0.430 0.833 0.500 CB 0.926 Z: 16 27.887 2.064 0.744 0.824 1.000 0.800 CA 1.510 16 residues pruned to eliminate duplicates Z: 24 29.714 2.217 1.012 0.495 0.957 0.739 CB 1.459 24 residues pruned to eliminate duplicates Z: 14 14.036 1.934 0.280 0.894 0.923 0.615 CB 1.222 14 residues pruned to eliminate duplicates Z: 9 9.993 1.848 1.055 0.373 0.875 0.375 CA 1.217 9 residues pruned to eliminate duplicates Z: 11 10.440 1.631 0.690 0.855 0.900 0.500 CB 0.982 8 residues pruned to eliminate duplicates Z: 41 39.056 2.067 1.062 0.640 0.850 0.550 CB 1.494 41 residues pruned to eliminate duplicates Z: 13 31.670 2.222 0.934 0.897 0.917 0.750 CB 1.662 13 residues pruned to eliminate duplicates Z: 28 38.591 2.212 1.026 0.688 0.889 0.741 CB 1.569 41 residues pruned to eliminate duplicates Z: 16 36.904 2.106 1.010 0.937 1.000 0.667 CA 1.566 16 residues pruned to eliminate duplicates Z: 15 21.011 2.174 0.580 0.822 0.786 0.643 CA 1.573 15 residues pruned to eliminate duplicates Z: 14 14.751 1.912 0.425 0.756 0.769 0.462 CB 1.554 14 residues pruned to eliminate duplicates Z: 66 62.139 2.238 0.970 0.615 0.969 0.754 CB 1.618 66 residues pruned to eliminate duplicates Z: 15 32.374 2.180 0.832 0.913 1.000 0.786 CB 1.534 15 residues pruned to eliminate duplicates Z: 7 6.625 1.720 0.021 0.760 1.000 0.833 CB 1.223 Z: 12 16.418 1.874 0.767 0.788 0.909 0.636 CB 1.277 12 residues pruned to eliminate duplicates Z: 20 27.491 1.984 0.985 0.659 0.947 0.526 CB 1.460 20 residues pruned to eliminate duplicates Z: 12 16.506 1.900 0.350 0.842 1.000 0.636 CA 1.446 12 residues pruned to eliminate duplicates Z: 16 26.704 2.231 1.392 0.519 0.867 0.733 CB 1.463 26 residues pruned to eliminate duplicates Z: 13 30.400 2.203 0.961 0.879 0.917 0.750 CB 1.607 13 residues pruned to eliminate duplicates Z: 13 19.713 2.143 0.440 0.763 0.917 0.500 CB 1.592 13 residues pruned to eliminate duplicates Z: 47 48.297 2.203 0.900 0.646 0.935 0.652 CB 1.587 47 residues pruned to eliminate duplicates Z: 8 11.906 1.913 1.376 0.424 0.857 0.571 C 1.251 Z: 23 31.469 1.972 0.868 0.806 0.955 0.455 CB 1.461 23 residues pruned to eliminate duplicates Z: 57 56.813 2.345 0.799 0.626 0.929 0.714 CB 1.721 57 residues pruned to eliminate duplicates Z: 15 25.517 2.019 0.868 0.888 1.000 0.857 CA 1.303 15 residues pruned to eliminate duplicates Z: 10 3.860 1.487 0.275 0.320 0.778 0.444 CB 1.064 Z: 15 19.377 1.847 1.519 0.648 0.786 0.571 CB 1.234 Z: 15 32.350 1.953 1.146 0.900 1.000 0.929 CB 1.473 15 residues pruned to eliminate duplicates Z: 22 18.124 2.016 0.975 0.462 0.762 0.667 CB 1.356 22 residues pruned to eliminate duplicates Z: 13 19.843 1.993 0.810 0.811 0.917 0.667 CB 1.322 13 residues pruned to eliminate duplicates Z: 15 28.056 1.973 0.994 0.867 1.000 0.857 CA 1.394 15 residues pruned to eliminate duplicates Z: 56 69.071 2.322 0.968 0.654 1.000 0.745 CB 1.767 56 residues pruned to eliminate duplicates Z: 64 66.425 2.274 0.986 0.588 0.984 0.651 CB 1.731 64 residues pruned to eliminate duplicates Z: 7 8.260 1.760 0.583 0.569 1.000 0.500 N 1.132 7 residues pruned to eliminate duplicates Z: 61 50.781 2.200 0.795 0.590 0.950 0.717 CB 1.602 61 residues pruned to eliminate duplicates Z: 15 16.884 1.854 0.514 0.829 1.000 0.500 CB 1.210 15 residues pruned to eliminate duplicates Z: 10 3.651 1.497 0.136 0.403 0.778 0.556 O 1.019 6 residues pruned to eliminate duplicates Z: 9 4.909 1.655 0.387 0.604 0.625 0.625 CB 1.096 Z: 15 23.517 1.905 1.127 0.656 0.929 0.786 CB 1.446 15 residues pruned to eliminate duplicates Z: 16 33.671 2.082 1.029 0.930 0.933 0.667 CA 1.541 16 residues pruned to eliminate duplicates Z: 15 28.885 2.076 0.809 0.891 1.000 0.857 CB 1.478 15 residues pruned to eliminate duplicates Z: 103 72.716 2.278 0.931 0.570 0.902 0.618 CB 1.696 103 residues pruned to eliminate duplicates Z: 37 26.570 2.116 0.932 0.408 0.778 0.500 CB 1.533 37 residues pruned to eliminate duplicates Z: 18 27.982 2.145 0.876 0.541 1.000 0.647 CB 1.620 18 residues pruned to eliminate duplicates Z: 7 4.070 1.596 -0.327 0.843 1.000 0.833 N 1.151 Z: 8 10.797 1.929 0.359 0.900 0.857 0.714 CB 1.297 8 residues pruned to eliminate duplicates Z: 64 63.306 2.261 0.979 0.612 0.984 0.794 CB 1.630 64 residues pruned to eliminate duplicates Z: 16 20.479 2.184 0.405 0.915 1.000 0.867 CA 1.218 16 residues pruned to eliminate duplicates Z: 37 42.529 2.122 1.040 0.640 0.889 0.583 CB 1.615 34 residues pruned to eliminate duplicates Z: 61 60.095 2.263 0.847 0.628 0.967 0.767 CB 1.702 61 residues pruned to eliminate duplicates Z: 65 60.787 2.271 0.920 0.643 0.938 0.828 CB 1.626 65 residues pruned to eliminate duplicates Z: 7 2.905 1.572 0.213 0.247 0.667 0.500 N 1.248 Z: 27 42.178 2.238 1.227 0.708 0.808 0.577 CA 1.701 27 residues pruned to eliminate duplicates Z: 65 62.258 2.267 0.925 0.597 0.938 0.641 CA 1.734 65 residues pruned to eliminate duplicates Z: 85 70.201 2.297 1.007 0.548 0.940 0.714 CA 1.686 85 residues pruned to eliminate duplicates Z: 9 6.626 1.894 -0.117 0.554 1.000 0.750 CB 1.330 10 residues pruned to eliminate duplicates Z: 15 34.314 2.146 0.976 0.944 0.929 0.500 CA 1.613 15 residues pruned to eliminate duplicates Z: 12 34.178 2.315 1.186 0.893 0.909 0.455 CA 1.609 12 residues pruned to eliminate duplicates Z: 46 38.358 2.153 0.695 0.563 0.956 0.689 CB 1.543 46 residues pruned to eliminate duplicates Z: 23 23.659 2.191 0.801 0.408 0.864 0.682 CB 1.631 23 residues pruned to eliminate duplicates Z: 13 30.328 2.055 1.248 0.849 0.917 0.583 CB 1.533 13 residues pruned to eliminate duplicates Z: 38 44.693 2.176 1.050 0.714 0.838 0.730 CB 1.619 38 residues pruned to eliminate duplicates Z: 34 46.176 2.268 0.953 0.590 0.970 0.576 CB 1.718 33 residues pruned to eliminate duplicates Z: 14 20.273 1.831 1.392 0.716 0.846 0.846 CB 1.248 14 residues pruned to eliminate duplicates Z: 14 13.810 2.047 0.272 0.828 0.769 0.538 CB 1.440 14 residues pruned to eliminate duplicates Z: 15 27.635 2.134 0.638 0.905 1.000 0.643 CB 1.503 15 residues pruned to eliminate duplicates Z: 37 39.908 2.187 1.044 0.584 0.861 0.472 CB 1.594 37 residues pruned to eliminate duplicates Z: 44 55.433 2.247 0.971 0.691 0.977 0.767 CB 1.640 44 residues pruned to eliminate duplicates Z: 15 19.866 2.149 0.150 0.900 1.000 0.929 CB 1.535 15 residues pruned to eliminate duplicates Z: 67 55.383 2.220 0.843 0.609 0.955 0.758 CB 1.574 67 residues pruned to eliminate duplicates Z: 14 28.367 2.102 0.828 0.929 1.000 0.769 CB 1.432 14 residues pruned to eliminate duplicates Z: 22 28.879 2.101 1.310 0.519 0.810 0.571 CB 1.574 22 residues pruned to eliminate duplicates Z: 50 52.287 2.235 0.942 0.628 0.959 0.653 CB 1.590 50 residues pruned to eliminate duplicates Z: 17 20.511 1.976 0.504 0.791 0.938 0.750 CA 1.426 17 residues pruned to eliminate duplicates Z: 54 57.474 2.272 0.900 0.682 0.943 0.698 CB 1.641 54 residues pruned to eliminate duplicates Z: 12 16.307 1.809 0.596 0.809 1.000 0.727 CB 1.301 12 residues pruned to eliminate duplicates Z: 9 12.082 1.942 0.324 0.885 0.875 0.625 CB 1.371 9 residues pruned to eliminate duplicates Z: 10 7.662 1.842 0.578 0.390 0.778 0.556 CA 1.270 10 residues pruned to eliminate duplicates Z: 41 41.413 2.186 0.907 0.572 0.950 0.650 CB 1.542 49 residues pruned to eliminate duplicates Z: 16 31.974 2.016 0.974 0.931 1.000 0.867 CB 1.450 16 residues pruned to eliminate duplicates Z: 13 8.093 1.786 0.360 0.357 0.833 0.417 CB 1.346 13 residues pruned to eliminate duplicates Z: 39 41.949 2.191 1.014 0.643 0.842 0.474 CB 1.602 37 residues pruned to eliminate duplicates Z: 8 8.496 1.842 1.271 0.748 0.857 0.857 CB 0.718 Z: 81 61.262 2.219 0.924 0.601 0.938 0.637 CB 1.554 81 residues pruned to eliminate duplicates Z: 14 19.406 1.930 0.782 0.861 0.923 0.769 CB 1.246 14 residues pruned to eliminate duplicates Z: 65 54.136 2.256 0.914 0.564 0.906 0.609 CB 1.626 65 residues pruned to eliminate duplicates Z: 9 4.880 1.798 -0.383 0.669 1.000 0.875 N 1.330 Z: 6 8.137 1.998 0.434 0.683 1.000 0.600 CB 1.074 6 residues pruned to eliminate duplicates Z: 15 25.835 2.108 0.673 0.917 1.000 0.786 CB 1.381 15 residues pruned to eliminate duplicates Z: 53 45.169 2.205 0.813 0.593 0.904 0.596 CB 1.586 53 residues pruned to eliminate duplicates Z: 8 9.166 1.855 -0.156 0.822 1.000 0.571 O 1.673 Z: 15 19.146 1.796 0.638 0.799 1.000 0.500 CB 1.339 15 residues pruned to eliminate duplicates Z: 22 24.446 2.182 1.071 0.465 0.857 0.667 CB 1.428 23 residues pruned to eliminate duplicates Z: 16 28.943 1.984 1.000 0.911 1.000 0.800 CB 1.335 16 residues pruned to eliminate duplicates Z: 12 21.874 2.009 1.310 0.629 0.818 0.818 CB 1.538 10 residues pruned to eliminate duplicates Z: 20 12.206 1.903 0.725 0.381 0.789 0.526 CB 1.227 20 residues pruned to eliminate duplicates Z: 6 5.566 1.855 0.647 0.421 0.800 0.600 CB 1.105 6 residues pruned to eliminate duplicates Z: 13 13.958 1.833 0.416 0.825 0.917 0.583 CB 1.278 13 residues pruned to eliminate duplicates Z: 60 67.776 2.371 0.936 0.623 0.983 0.746 CB 1.742 60 residues pruned to eliminate duplicates Z: 7 6.312 1.940 -0.216 0.608 1.000 0.667 N 1.529 7 residues pruned to eliminate duplicates Z: 17 24.815 1.899 0.950 0.879 0.938 0.750 CB 1.296 17 residues pruned to eliminate duplicates Z: 11 11.309 1.937 0.431 0.507 0.900 0.500 CB 1.423 11 residues pruned to eliminate duplicates Z: 60 63.441 2.298 0.876 0.633 0.966 0.678 CB 1.751 60 residues pruned to eliminate duplicates Z: 49 57.720 2.291 0.964 0.621 0.958 0.688 CB 1.723 49 residues pruned to eliminate duplicates Z: 14 32.023 2.090 1.096 0.867 1.000 0.923 CB 1.483 14 residues pruned to eliminate duplicates Z: 12 10.732 1.653 0.880 0.798 0.818 0.273 CB 0.980 11 residues pruned to eliminate duplicates Z: 58 59.510 2.284 0.903 0.629 0.930 0.684 CB 1.727 58 residues pruned to eliminate duplicates Z: 17 20.519 2.001 0.771 0.457 0.938 0.750 CB 1.613 17 residues pruned to eliminate duplicates Z: 7 2.065 1.421 -0.076 0.549 0.667 0.667 CB 0.918 Z: 6 6.625 1.915 0.733 0.598 0.800 0.800 CA 1.016 Z: 11 21.999 2.166 0.824 0.750 1.000 0.900 CA 1.408 11 residues pruned to eliminate duplicates Z: 18 17.288 1.898 0.819 0.484 0.882 0.588 CA 1.398 18 residues pruned to eliminate duplicates Z: 25 44.503 2.230 1.108 0.745 1.000 0.792 CB 1.553 25 residues pruned to eliminate duplicates Z: 8 9.686 1.829 0.804 0.483 1.000 0.571 CB 1.129 Z: 9 4.171 1.832 0.615 0.270 0.750 0.500 CB 0.863 9 residues pruned to eliminate duplicates Z: 6 2.946 1.803 -0.047 0.546 0.800 0.800 CB 0.916 6 residues pruned to eliminate duplicates Z: 8 5.673 1.420 0.664 0.214 1.000 0.571 N 1.272 Z: 11 21.504 2.110 1.037 0.728 1.000 0.700 CB 1.288 11 residues pruned to eliminate duplicates Z: 9 11.112 1.886 0.411 0.565 1.000 0.750 CA 1.387 9 residues pruned to eliminate duplicates 7 1.149 1.446 0.076 0.392 0.833 0.667 CB 0.405 ? Z: 8 16.003 1.928 0.610 0.874 1.000 0.571 CB 1.418 8 residues pruned to eliminate duplicates Z: 16 24.059 2.092 0.523 0.875 1.000 0.867 CB 1.419 16 residues pruned to eliminate duplicates Z: 66 56.548 2.279 0.877 0.540 0.954 0.677 CB 1.653 73 residues pruned to eliminate duplicates Z: 12 12.072 1.945 0.352 0.788 0.909 0.545 CB 1.182 12 residues pruned to eliminate duplicates Z: 8 15.324 2.063 0.424 0.819 1.000 0.714 CB 1.495 8 residues pruned to eliminate duplicates Z: 23 24.830 1.948 0.731 0.812 0.955 0.682 CB 1.253 23 residues pruned to eliminate duplicates Z: 8 5.232 1.668 0.614 0.318 0.714 0.571 CA 1.256 8 residues pruned to eliminate duplicates Z: 16 27.673 1.910 0.941 0.893 1.000 0.733 CB 1.383 16 residues pruned to eliminate duplicates Z: 8 5.781 1.748 0.326 0.619 0.857 0.571 CB 0.983 8 residues pruned to eliminate duplicates Z: 63 67.039 2.333 1.115 0.589 0.952 0.710 CA 1.666 69 residues pruned to eliminate duplicates 7 1.918 1.476 0.134 0.376 0.500 0.500 CB 1.068 ? Z: 16 19.273 1.999 0.419 0.832 0.933 0.667 CB 1.412 16 residues pruned to eliminate duplicates Z: 6 5.292 1.550 0.531 0.730 0.800 0.600 N 1.014 Z: 51 42.981 2.147 0.767 0.612 0.920 0.700 CB 1.567 51 residues pruned to eliminate duplicates Z: 6 3.858 1.661 -0.069 0.716 1.000 0.800 CB 0.919 6 residues pruned to eliminate duplicates Z: 54 51.699 2.244 0.801 0.574 0.943 0.679 CA 1.735 54 residues pruned to eliminate duplicates Z: 7 4.145 1.597 0.407 0.489 0.667 0.500 CA 1.142 Z: 15 27.099 2.130 0.768 0.911 1.000 0.714 CA 1.363 15 residues pruned to eliminate duplicates Z: 24 15.935 1.954 0.812 0.358 0.826 0.565 CB 1.324 24 residues pruned to eliminate duplicates Z: 59 70.313 2.306 1.075 0.643 0.983 0.759 CB 1.718 67 residues pruned to eliminate duplicates Z: 65 67.509 2.357 1.053 0.586 0.938 0.672 CB 1.713 65 residues pruned to eliminate duplicates Z: 62 58.344 2.219 0.941 0.607 0.984 0.820 CB 1.592 62 residues pruned to eliminate duplicates Z: 42 46.896 2.171 0.850 0.664 0.927 0.683 CA 1.690 42 residues pruned to eliminate duplicates Z: 60 56.471 2.238 0.716 0.645 1.000 0.814 CB 1.673 60 residues pruned to eliminate duplicates Z: 10 10.303 1.487 1.349 0.717 1.000 0.556 CB 0.808 Z: 14 30.370 2.090 1.085 0.947 1.000 0.846 CB 1.336 14 residues pruned to eliminate duplicates Z: 11 17.133 1.853 0.665 0.857 1.000 0.800 CA 1.293 11 residues pruned to eliminate duplicates Z: 13 8.983 1.770 0.524 0.501 0.917 0.583 CB 1.048 Z: 13 19.310 2.075 1.159 0.436 0.917 0.667 CA 1.451 13 residues pruned to eliminate duplicates Z: 48 47.912 2.242 1.004 0.603 0.915 0.638 CA 1.542 48 residues pruned to eliminate duplicates Z: 33 46.696 2.238 0.878 0.721 0.969 0.875 CB 1.660 33 residues pruned to eliminate duplicates Z: 13 23.777 2.093 0.993 0.834 0.917 0.583 CB 1.345 13 residues pruned to eliminate duplicates Z: 11 11.338 1.939 0.167 0.852 0.900 0.700 CB 1.302 11 residues pruned to eliminate duplicates Z: 27 28.338 2.017 1.077 0.694 0.846 0.577 CB 1.313 30 residues pruned to eliminate duplicates Z: 34 44.710 2.352 1.079 0.593 0.939 0.758 CA 1.550 34 residues pruned to eliminate duplicates Z: 15 33.224 2.159 0.883 0.908 1.000 0.714 CB 1.551 15 residues pruned to eliminate duplicates Z: 16 6.626 1.597 0.312 0.403 0.800 0.533 CB 1.131 7 residues pruned to eliminate duplicates Z: 16 10.353 1.817 0.663 0.358 0.733 0.600 CB 1.405 15 residues pruned to eliminate duplicates Z: 37 35.583 2.056 0.942 0.553 0.917 0.667 CB 1.538 64 residues pruned to eliminate duplicates Z: 7 4.181 1.577 0.212 0.332 1.000 0.500 CB 1.073 7 residues pruned to eliminate duplicates Z: 20 33.071 2.242 1.151 0.596 0.895 0.632 CB 1.604 20 residues pruned to eliminate duplicates Z: 44 54.433 2.317 0.946 0.646 0.953 0.791 CB 1.685 44 residues pruned to eliminate duplicates Z: 8 10.709 1.906 0.587 0.784 0.714 0.429 N 1.460 8 residues pruned to eliminate duplicates Z: 16 16.939 2.011 0.609 0.716 0.800 0.533 CB 1.389 16 residues pruned to eliminate duplicates Z: 13 10.977 1.830 0.503 0.385 0.917 0.667 CB 1.420 13 residues pruned to eliminate duplicates Z: 12 18.332 1.779 0.690 0.847 1.000 0.727 CA 1.365 12 residues pruned to eliminate duplicates Z: 123 88.898 2.325 0.905 0.582 0.951 0.672 CB 1.765 123 residues pruned to eliminate duplicates Z: 34 33.317 1.986 0.943 0.604 0.970 0.576 CB 1.404 34 residues pruned to eliminate duplicates Z: 19 17.521 1.940 0.715 0.399 0.944 0.722 CA 1.463 19 residues pruned to eliminate duplicates Z: 12 39.935 2.332 1.249 0.872 1.000 0.818 CA 1.674 12 residues pruned to eliminate duplicates Z: 58 50.601 2.207 0.693 0.588 0.947 0.737 CB 1.740 58 residues pruned to eliminate duplicates Z: 13 36.200 2.263 1.219 0.749 1.000 0.833 CB 1.666 13 residues pruned to eliminate duplicates Z: 9 5.014 1.654 -0.036 0.416 1.000 0.375 CB 1.213 Z: 29 32.069 1.972 1.178 0.687 0.893 0.607 CB 1.331 Z: 7 2.194 1.755 0.105 0.247 0.667 0.333 CA 0.928 Z: 8 5.304 1.696 -0.161 0.590 1.000 0.571 O 1.293 8 residues pruned to eliminate duplicates Z: 21 20.864 2.014 0.725 0.467 0.900 0.550 CA 1.544 21 residues pruned to eliminate duplicates Z: 59 64.847 2.266 1.010 0.667 0.966 0.793 CB 1.659 60 residues pruned to eliminate duplicates Z: 14 28.105 1.990 1.004 0.905 1.000 0.846 CB 1.392 14 residues pruned to eliminate duplicates Z: 24 24.525 2.007 1.240 0.505 0.913 0.522 CB 1.239 24 residues pruned to eliminate duplicates Z: 7 2.876 1.438 0.401 0.272 0.667 0.500 C 1.133 Z: 29 40.720 2.312 1.204 0.498 0.929 0.714 CA 1.630 29 residues pruned to eliminate duplicates Z: 7 2.545 1.361 0.092 0.249 1.000 0.333 N 0.934 Z: 9 6.072 1.632 -0.049 0.649 1.000 0.750 CB 1.204 9 residues pruned to eliminate duplicates Z: 50 51.272 2.210 0.907 0.609 0.959 0.633 CB 1.634 50 residues pruned to eliminate duplicates Z: 16 25.422 1.983 0.707 0.909 1.000 0.733 CA 1.376 16 residues pruned to eliminate duplicates Z: 9 13.306 1.916 0.627 0.817 1.000 0.875 CB 1.146 9 residues pruned to eliminate duplicates Z: 7 4.880 1.695 0.573 0.272 0.667 0.500 CB 1.451 7 residues pruned to eliminate duplicates Z: 14 29.274 2.210 0.947 0.789 1.000 0.692 CB 1.464 14 residues pruned to eliminate duplicates Z: 6 6.409 1.872 0.329 0.619 0.800 0.800 CA 1.287 6 residues pruned to eliminate duplicates Z: 6 3.260 1.640 -0.090 0.296 1.000 0.600 C 1.229 Z: 15 19.655 1.898 1.007 0.627 0.929 0.571 CB 1.318 15 residues pruned to eliminate duplicates Z: 12 6.156 1.545 0.020 0.572 0.909 0.545 N 1.209 11 residues pruned to eliminate duplicates Z: 14 29.956 2.142 1.043 0.865 0.846 0.692 CB 1.644 14 residues pruned to eliminate duplicates Z: 16 37.635 2.041 1.104 0.901 1.000 0.867 CB 1.615 16 residues pruned to eliminate duplicates Z: 44 48.585 2.248 0.907 0.596 0.930 0.698 CB 1.695 52 residues pruned to eliminate duplicates Z: 26 31.066 2.128 0.804 0.634 0.880 0.360 CB 1.622 26 residues pruned to eliminate duplicates Z: 12 16.917 1.932 0.482 0.871 1.000 0.818 CA 1.300 12 residues pruned to eliminate duplicates Z: 49 51.505 2.185 0.883 0.623 0.938 0.667 CB 1.716 49 residues pruned to eliminate duplicates Z: 14 29.167 2.159 1.168 0.705 0.923 0.692 CB 1.554 14 residues pruned to eliminate duplicates Z: 57 46.406 2.173 0.756 0.526 0.946 0.643 CB 1.673 57 residues pruned to eliminate duplicates Z: 62 61.550 2.242 0.826 0.608 0.984 0.672 CA 1.767 62 residues pruned to eliminate duplicates Z: 21 17.479 1.892 0.608 0.442 0.950 0.600 CB 1.436 21 residues pruned to eliminate duplicates Z: 32 43.064 2.357 0.847 0.557 0.968 0.645 CB 1.738 32 residues pruned to eliminate duplicates Z: 10 3.879 1.340 0.406 0.368 0.778 0.444 CB 1.016 Z: 6 2.828 1.363 0.244 0.327 0.800 0.800 CA 1.127 6 residues pruned to eliminate duplicates Z: 65 66.816 2.310 0.959 0.604 0.953 0.750 CB 1.754 65 residues pruned to eliminate duplicates Z: 50 53.904 2.242 0.979 0.622 0.939 0.714 CA 1.648 50 residues pruned to eliminate duplicates 8 1.545 1.638 0.710 0.253 0.714 0.429 CB 0.388 ? Z: 32 35.940 2.156 0.751 0.556 0.968 0.710 CB 1.673 42 residues pruned to eliminate duplicates Z: 22 31.400 2.341 1.048 0.460 0.905 0.667 CB 1.644 22 residues pruned to eliminate duplicates Z: 11 25.109 2.060 1.419 0.839 1.000 0.800 CB 1.190 14 residues pruned to eliminate duplicates Z: 58 67.163 2.328 0.994 0.632 1.000 0.702 CB 1.692 58 residues pruned to eliminate duplicates Z: 22 44.155 2.209 1.204 0.670 0.952 0.667 CB 1.777 22 residues pruned to eliminate duplicates Z: 9 13.532 1.977 0.465 0.898 0.875 0.875 CB 1.351 9 residues pruned to eliminate duplicates Z: 44 57.473 2.371 1.031 0.616 0.977 0.698 CA 1.669 44 residues pruned to eliminate duplicates Z: 18 21.161 1.870 0.894 0.827 0.941 0.647 CB 1.160 18 residues pruned to eliminate duplicates Z: 46 35.708 2.135 0.599 0.573 0.911 0.644 CB 1.596 46 residues pruned to eliminate duplicates Z: 13 18.259 1.762 1.116 0.808 0.917 0.583 CB 1.178 13 residues pruned to eliminate duplicates Z: 40 50.797 2.218 0.983 0.692 0.923 0.692 CB 1.681 40 residues pruned to eliminate duplicates Z: 78 75.417 2.327 1.059 0.589 0.961 0.714 CB 1.714 78 residues pruned to eliminate duplicates Z: 6 5.391 1.926 -0.318 0.719 1.000 0.600 C 1.506 Z: 9 10.035 1.945 0.116 0.842 1.000 0.875 CA 1.219 9 residues pruned to eliminate duplicates Z: 30 49.456 2.369 1.047 0.697 1.000 0.690 CA 1.582 30 residues pruned to eliminate duplicates Z: 8 5.197 1.450 0.544 0.284 1.000 0.429 CB 1.119 Z: 15 36.008 2.044 1.010 0.888 1.000 0.571 CA 1.688 15 residues pruned to eliminate duplicates Z: 25 41.788 2.379 1.059 0.570 0.958 0.792 CB 1.699 25 residues pruned to eliminate duplicates Z: 8 11.539 1.888 0.422 0.868 0.857 0.429 CB 1.386 8 residues pruned to eliminate duplicates Z: 23 29.548 2.297 1.163 0.392 0.909 0.682 CA 1.563 23 residues pruned to eliminate duplicates Z: 61 69.471 2.312 1.066 0.628 0.983 0.667 CA 1.693 61 residues pruned to eliminate duplicates Z: 26 30.051 2.020 1.094 0.736 0.880 0.560 CB 1.307 26 residues pruned to eliminate duplicates Z: 11 16.608 2.085 0.517 0.854 0.900 0.900 CA 1.363 11 residues pruned to eliminate duplicates Z: 31 35.896 2.222 1.000 0.625 0.867 0.367 CB 1.512 31 residues pruned to eliminate duplicates Z: 19 29.495 1.892 1.036 0.874 0.944 0.667 CB 1.390 19 residues pruned to eliminate duplicates Z: 11 16.599 2.032 0.308 0.799 1.000 0.600 CB 1.520 11 residues pruned to eliminate duplicates Z: 12 8.877 1.651 0.585 0.704 0.818 0.818 CB 1.039 9 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 8.131 1.719 0.821 0.484 1.000 0.800 CB 1.180 6 residues pruned to eliminate duplicates Z: 46 43.778 2.174 1.006 0.602 0.867 0.556 CB 1.567 46 residues pruned to eliminate duplicates Z: 37 48.064 2.213 1.046 0.703 0.917 0.667 CB 1.604 37 residues pruned to eliminate duplicates Z: 13 33.988 2.256 1.367 0.696 0.917 0.833 CA 1.677 13 residues pruned to eliminate duplicates Z: 35 46.170 2.235 0.915 0.688 0.941 0.529 CB 1.655 35 residues pruned to eliminate duplicates Z: 14 25.833 2.090 1.150 0.590 0.923 0.692 CB 1.585 14 residues pruned to eliminate duplicates Z: 37 38.909 2.102 0.994 0.692 0.889 0.611 CB 1.460 37 residues pruned to eliminate duplicates Z: 31 29.498 2.120 0.759 0.605 0.833 0.367 CB 1.569 39 residues pruned to eliminate duplicates Z: 45 41.311 2.134 0.886 0.607 0.886 0.455 CB 1.578 45 residues pruned to eliminate duplicates Z: 30 31.318 2.155 0.906 0.621 0.828 0.448 CB 1.526 30 residues pruned to eliminate duplicates Z: 28 38.979 2.136 1.189 0.643 0.889 0.556 CB 1.579 28 residues pruned to eliminate duplicates Z: 37 40.233 2.181 1.021 0.671 0.833 0.556 CB 1.558 37 residues pruned to eliminate duplicates Z: 40 32.576 2.055 0.826 0.503 0.846 0.385 CB 1.638 40 residues pruned to eliminate duplicates Z: 35 45.553 2.216 1.105 0.700 0.882 0.500 CB 1.582 35 residues pruned to eliminate duplicates Z: 36 43.606 2.156 1.061 0.686 0.914 0.514 CB 1.530 36 residues pruned to eliminate duplicates Z: 82 61.309 2.204 0.905 0.605 0.926 0.630 CB 1.586 44 residues pruned to eliminate duplicates Z: 15 29.268 2.069 0.801 0.872 1.000 0.714 CB 1.530 15 residues pruned to eliminate duplicates Z: 78 59.111 2.165 0.916 0.608 0.922 0.636 CB 1.590 78 residues pruned to eliminate duplicates Z: 27 41.626 2.198 1.193 0.687 0.885 0.654 CB 1.612 27 residues pruned to eliminate duplicates Z: 37 42.242 2.177 0.995 0.641 0.889 0.611 CB 1.599 37 residues pruned to eliminate duplicates Z: 36 33.034 2.076 0.855 0.595 0.857 0.571 CB 1.546 36 residues pruned to eliminate duplicates Z: 37 41.265 2.120 0.865 0.646 0.917 0.694 CB 1.655 37 residues pruned to eliminate duplicates Z: 29 35.083 2.176 1.008 0.646 0.821 0.643 CA 1.612 29 residues pruned to eliminate duplicates Z: 40 27.588 2.029 0.680 0.549 0.821 0.615 CB 1.506 40 residues pruned to eliminate duplicates Z: 37 43.821 2.190 0.878 0.666 0.917 0.750 CA 1.662 37 residues pruned to eliminate duplicates Z: 14 11.422 1.927 0.505 0.551 0.846 0.538 CA 1.228 14 residues pruned to eliminate duplicates Z: 43 40.910 2.122 0.929 0.607 0.929 0.667 CB 1.500 43 residues pruned to eliminate duplicates Z: 46 37.457 2.070 0.755 0.602 0.889 0.622 CB 1.568 46 residues pruned to eliminate duplicates Z: 34 33.298 2.069 0.952 0.580 0.879 0.515 CA 1.512 34 residues pruned to eliminate duplicates Z: 43 43.496 2.111 0.973 0.623 0.929 0.595 CB 1.545 43 residues pruned to eliminate duplicates Z: 28 25.639 2.057 0.670 0.650 0.778 0.593 CA 1.606 28 residues pruned to eliminate duplicates Z: 40 40.943 2.129 0.840 0.682 0.897 0.641 CA 1.577 40 residues pruned to eliminate duplicates Z: 11 11.898 1.964 0.637 0.410 0.900 0.400 CA 1.429 11 residues pruned to eliminate duplicates Z: 75 51.201 2.089 0.840 0.595 0.905 0.595 CB 1.562 75 residues pruned to eliminate duplicates Z: 21 13.129 1.902 0.540 0.350 0.850 0.550 CA 1.388 21 residues pruned to eliminate duplicates Z: 10 13.991 2.106 0.651 0.424 0.889 0.667 CB 1.634 10 residues pruned to eliminate duplicates Z: 14 12.914 1.906 0.504 0.458 0.923 0.538 CA 1.413 20 residues pruned to eliminate duplicates Z: 12 14.090 1.973 0.762 0.443 0.909 0.364 CB 1.426 12 residues pruned to eliminate duplicates Z: 69 59.318 2.279 0.801 0.597 0.956 0.750 CB 1.671 58 residues pruned to eliminate duplicates Z: 7 6.146 1.604 1.027 0.465 0.833 0.333 CB 0.960 Z: 6 4.948 1.763 0.880 0.418 1.000 0.800 CA 0.727 Z: 7 6.914 1.778 0.691 0.528 1.000 0.667 CA 0.914 7 residues pruned to eliminate duplicates Z: 67 56.460 2.238 0.816 0.599 0.970 0.788 CB 1.604 80 residues pruned to eliminate duplicates Z: 61 61.026 2.284 0.950 0.613 0.950 0.767 CB 1.674 61 residues pruned to eliminate duplicates Z: 64 59.540 2.293 0.876 0.602 0.968 0.794 CB 1.635 64 residues pruned to eliminate duplicates Z: 78 60.029 2.233 0.872 0.596 0.935 0.753 CB 1.597 78 residues pruned to eliminate duplicates Z: 55 58.464 2.301 0.793 0.672 0.981 0.852 CB 1.677 55 residues pruned to eliminate duplicates Z: 60 59.307 2.287 0.889 0.624 0.966 0.763 CB 1.645 60 residues pruned to eliminate duplicates Z: 59 62.826 2.291 1.009 0.627 0.966 0.776 CB 1.648 59 residues pruned to eliminate duplicates Z: 68 54.709 2.226 0.940 0.595 0.896 0.716 CB 1.579 68 residues pruned to eliminate duplicates Z: 64 66.180 2.298 0.989 0.622 0.968 0.762 CB 1.679 69 residues pruned to eliminate duplicates Z: 15 31.649 2.199 0.690 0.926 1.000 0.929 CB 1.596 15 residues pruned to eliminate duplicates Z: 58 63.036 2.306 0.936 0.642 0.982 0.754 CB 1.666 58 residues pruned to eliminate duplicates Z: 65 50.510 2.175 0.867 0.596 0.938 0.703 CB 1.512 65 residues pruned to eliminate duplicates Z: 57 60.304 2.268 0.977 0.649 0.964 0.732 CB 1.621 57 residues pruned to eliminate duplicates Z: 60 60.809 2.270 0.978 0.642 0.949 0.712 CB 1.627 60 residues pruned to eliminate duplicates Z: 67 61.524 2.247 0.997 0.605 0.939 0.712 CB 1.626 67 residues pruned to eliminate duplicates Z: 70 57.975 2.217 0.907 0.590 0.942 0.638 CB 1.608 70 residues pruned to eliminate duplicates Z: 61 61.426 2.280 0.962 0.636 0.950 0.750 CB 1.642 61 residues pruned to eliminate duplicates Z: 65 59.703 2.277 0.914 0.602 0.953 0.688 CB 1.631 65 residues pruned to eliminate duplicates Z: 61 61.813 2.291 0.928 0.625 0.967 0.833 CB 1.662 61 residues pruned to eliminate duplicates Z: 98 67.647 2.215 0.848 0.620 0.928 0.670 CB 1.614 82 residues pruned to eliminate duplicates Z: 17 24.144 2.022 0.747 0.725 0.938 0.438 CB 1.488 17 residues pruned to eliminate duplicates Z: 61 59.759 2.246 1.011 0.608 0.933 0.700 CB 1.651 59 residues pruned to eliminate duplicates Z: 16 22.487 2.057 0.645 0.733 0.933 0.600 CB 1.491 16 residues pruned to eliminate duplicates Z: 60 61.044 2.267 1.016 0.614 0.983 0.780 CB 1.588 60 residues pruned to eliminate duplicates Z: 61 58.088 2.260 0.908 0.611 0.950 0.700 CB 1.648 62 residues pruned to eliminate duplicates Z: 16 22.841 2.083 0.842 0.699 0.867 0.533 CB 1.478 16 residues pruned to eliminate duplicates Z: 64 65.989 2.279 1.032 0.609 0.968 0.698 CB 1.671 59 residues pruned to eliminate duplicates Z: 15 26.662 2.148 0.709 0.783 1.000 0.714 CB 1.512 15 residues pruned to eliminate duplicates Z: 64 67.787 2.304 1.063 0.607 0.952 0.762 CB 1.704 64 residues pruned to eliminate duplicates Z: 62 61.670 2.272 0.966 0.605 0.951 0.787 CB 1.682 62 residues pruned to eliminate duplicates Z: 56 63.515 2.275 0.954 0.668 1.000 0.818 CB 1.649 56 residues pruned to eliminate duplicates Z: 59 65.973 2.267 1.063 0.648 0.983 0.741 CB 1.642 58 residues pruned to eliminate duplicates Z: 6 8.275 2.198 0.624 0.383 0.800 0.400 CA 1.468 6 residues pruned to eliminate duplicates Z: 59 64.725 2.295 1.020 0.635 0.983 0.672 CB 1.643 59 residues pruned to eliminate duplicates Z: 68 61.074 2.226 0.940 0.606 0.970 0.701 CB 1.610 68 residues pruned to eliminate duplicates Z: 64 58.416 2.221 0.958 0.592 0.952 0.714 CB 1.628 64 residues pruned to eliminate duplicates Z: 71 59.835 2.239 0.964 0.590 0.929 0.757 CB 1.606 71 residues pruned to eliminate duplicates Z: 59 61.760 2.291 0.993 0.634 0.948 0.776 CB 1.652 59 residues pruned to eliminate duplicates Z: 59 66.545 2.287 1.025 0.656 1.000 0.724 CB 1.633 59 residues pruned to eliminate duplicates Z: 58 63.121 2.286 0.975 0.656 0.982 0.772 CB 1.630 58 residues pruned to eliminate duplicates Z: 67 60.997 2.223 0.960 0.611 0.955 0.697 CB 1.624 67 residues pruned to eliminate duplicates Z: 61 58.694 2.257 0.945 0.616 0.933 0.783 CB 1.657 61 residues pruned to eliminate duplicates Z: 6 6.514 1.962 0.557 0.357 1.000 0.800 CA 1.113 Z: 7 6.004 1.887 0.501 0.469 1.000 0.833 CA 0.893 7 residues pruned to eliminate duplicates Z: 6 6.620 1.750 0.658 0.340 1.000 0.400 C 1.215 6 residues pruned to eliminate duplicates Z: 14 28.601 2.149 1.303 0.610 0.846 0.692 C 1.706 14 residues pruned to eliminate duplicates Z: 27 48.028 2.229 1.160 0.707 0.962 0.615 CB 1.686 27 residues pruned to eliminate duplicates Z: 33 40.815 2.181 1.202 0.570 0.844 0.500 CB 1.664 33 residues pruned to eliminate duplicates Z: 53 40.647 2.107 0.983 0.504 0.885 0.577 CB 1.519 96 residues pruned to eliminate duplicates Z: 40 34.528 2.112 0.916 0.521 0.872 0.410 CB 1.535 Z: 12 11.295 1.796 0.811 0.450 0.818 0.273 CA 1.347 12 residues pruned to eliminate duplicates Z: 27 16.847 1.972 0.817 0.510 0.692 0.423 CB 1.319 27 residues pruned to eliminate duplicates Z: 20 20.255 1.968 0.982 0.448 0.842 0.368 CB 1.492 20 residues pruned to eliminate duplicates Z: 27 33.771 2.156 1.039 0.661 0.808 0.500 CB 1.607 26 residues pruned to eliminate duplicates Z: 15 26.040 1.969 1.174 0.886 0.857 0.500 CA 1.369 15 residues pruned to eliminate duplicates Z: 20 15.258 1.993 1.133 0.501 0.684 0.368 CB 1.202 20 residues pruned to eliminate duplicates Z: 23 31.210 2.166 0.892 0.666 0.909 0.409 CB 1.532 23 residues pruned to eliminate duplicates Z: 37 45.544 2.214 1.045 0.661 0.917 0.639 CB 1.576 41 residues pruned to eliminate duplicates Z: 14 29.975 2.131 0.869 0.852 1.000 0.692 CB 1.544 14 residues pruned to eliminate duplicates Z: 44 37.690 2.135 1.019 0.575 0.837 0.605 CB 1.481 36 residues pruned to eliminate duplicates Z: 14 33.243 2.118 1.211 0.888 0.923 0.692 CA 1.536 14 residues pruned to eliminate duplicates Z: 16 27.794 2.045 1.122 0.704 0.933 0.667 CB 1.471 16 residues pruned to eliminate duplicates Z: 36 41.468 2.142 1.000 0.664 0.943 0.571 CB 1.491 36 residues pruned to eliminate duplicates Z: 38 45.146 2.212 1.088 0.649 0.892 0.676 CB 1.568 44 residues pruned to eliminate duplicates Z: 24 35.304 2.097 1.042 0.767 0.913 0.652 CB 1.486 24 residues pruned to eliminate duplicates Z: 31 31.014 2.059 1.002 0.573 0.867 0.567 CB 1.477 27 residues pruned to eliminate duplicates Z: 10 16.608 2.005 0.694 0.765 0.889 0.667 CB 1.449 10 residues pruned to eliminate duplicates Z: 11 13.150 1.985 0.706 0.675 0.800 0.700 CB 1.306 11 residues pruned to eliminate duplicates Z: 16 14.911 1.888 0.582 0.493 0.867 0.533 CB 1.498 16 residues pruned to eliminate duplicates Z: 15 16.466 2.030 0.823 0.571 0.857 0.429 CB 1.296 15 residues pruned to eliminate duplicates Z: 42 30.295 2.028 0.909 0.513 0.829 0.585 CB 1.454 42 residues pruned to eliminate duplicates Z: 26 29.716 2.077 0.986 0.661 0.840 0.400 CB 1.477 26 residues pruned to eliminate duplicates Z: 39 35.336 2.101 0.876 0.605 0.868 0.684 CB 1.516 39 residues pruned to eliminate duplicates Z: 21 13.531 1.937 0.570 0.392 0.850 0.650 CB 1.313 21 residues pruned to eliminate duplicates Z: 13 18.007 2.008 0.858 0.576 0.833 0.667 CB 1.555 13 residues pruned to eliminate duplicates Z: 13 20.170 1.949 0.837 0.638 0.917 0.667 CB 1.559 13 residues pruned to eliminate duplicates Z: 62 53.594 2.234 0.839 0.606 0.967 0.689 CB 1.561 62 residues pruned to eliminate duplicates Z: 57 57.299 2.253 0.850 0.647 0.982 0.768 CB 1.630 57 residues pruned to eliminate duplicates Z: 58 61.960 2.271 0.916 0.649 1.000 0.737 CB 1.642 58 residues pruned to eliminate duplicates Z: 76 48.705 2.210 0.867 0.552 0.867 0.653 CB 1.495 119 residues pruned to eliminate duplicates Z: 68 53.430 2.229 0.865 0.581 0.925 0.657 CB 1.570 68 residues pruned to eliminate duplicates Z: 67 49.177 2.244 0.738 0.575 0.909 0.682 CB 1.589 67 residues pruned to eliminate duplicates Z: 25 24.781 2.116 0.850 0.510 0.875 0.625 CB 1.462 25 residues pruned to eliminate duplicates Z: 103 68.224 2.271 0.868 0.576 0.912 0.588 CB 1.623 116 residues pruned to eliminate duplicates Z: 116 86.395 2.322 0.985 0.592 0.939 0.678 CB 1.706 116 residues pruned to eliminate duplicates Z: 128 88.899 2.299 0.968 0.596 0.961 0.717 CB 1.657 128 residues pruned to eliminate duplicates Z: 62 62.749 2.339 0.903 0.574 0.967 0.656 CB 1.738 62 residues pruned to eliminate duplicates Z: 63 63.107 2.315 0.930 0.583 0.952 0.710 CB 1.741 63 residues pruned to eliminate duplicates Z: 60 65.806 2.375 0.886 0.623 0.966 0.780 CB 1.763 60 residues pruned to eliminate duplicates Z: 63 60.879 2.310 0.894 0.584 0.952 0.629 CB 1.713 63 residues pruned to eliminate duplicates Z: 70 51.104 2.217 0.801 0.534 0.928 0.565 CB 1.608 70 residues pruned to eliminate duplicates Z: 62 66.647 2.341 1.036 0.582 0.967 0.689 CB 1.711 62 residues pruned to eliminate duplicates Z: 52 47.627 2.204 0.924 0.573 0.922 0.706 CB 1.590 52 residues pruned to eliminate duplicates Z: 63 57.367 2.286 0.918 0.558 0.935 0.597 CB 1.679 63 residues pruned to eliminate duplicates Z: 56 68.548 2.335 0.987 0.641 0.982 0.764 CB 1.778 56 residues pruned to eliminate duplicates Z: 45 54.795 2.311 0.966 0.624 0.977 0.727 CB 1.655 45 residues pruned to eliminate duplicates Z: 123 87.515 2.293 0.961 0.616 0.951 0.730 CB 1.661 123 residues pruned to eliminate duplicates Z: 126 86.415 2.299 0.942 0.595 0.944 0.680 CB 1.675 126 residues pruned to eliminate duplicates Z: 146 95.370 2.285 1.053 0.593 0.931 0.641 CB 1.660 146 residues pruned to eliminate duplicates Z: 114 69.679 2.216 1.005 0.544 0.894 0.611 CB 1.580 114 residues pruned to eliminate duplicates Z: 119 87.313 2.307 0.930 0.627 0.975 0.712 CB 1.644 119 residues pruned to eliminate duplicates Z: 65 64.797 2.338 0.954 0.585 0.938 0.672 CB 1.743 65 residues pruned to eliminate duplicates Z: 68 62.985 2.269 1.015 0.562 0.970 0.687 CB 1.633 68 residues pruned to eliminate duplicates Z: 125 80.037 2.289 0.884 0.597 0.935 0.694 CB 1.624 125 residues pruned to eliminate duplicates Z: 49 53.639 2.258 0.873 0.633 0.979 0.667 CB 1.650 49 residues pruned to eliminate duplicates Z: 52 50.712 2.196 0.928 0.620 0.961 0.627 CB 1.558 52 residues pruned to eliminate duplicates Z: 43 54.463 2.303 1.036 0.627 0.929 0.690 CB 1.713 43 residues pruned to eliminate duplicates Z: 60 70.302 2.387 1.048 0.595 0.966 0.678 CB 1.770 60 residues pruned to eliminate duplicates Z: 56 65.485 2.292 0.980 0.615 1.000 0.636 CB 1.746 56 residues pruned to eliminate duplicates Z: 119 85.618 2.302 0.924 0.623 0.949 0.695 CB 1.669 119 residues pruned to eliminate duplicates Z: 60 65.294 2.318 0.963 0.608 0.966 0.695 CB 1.745 60 residues pruned to eliminate duplicates Z: 62 65.287 2.354 1.006 0.580 0.951 0.689 CB 1.724 62 residues pruned to eliminate duplicates Z: 90 75.981 2.304 1.072 0.604 0.933 0.640 CB 1.639 90 residues pruned to eliminate duplicates Z: 112 88.818 2.316 0.986 0.614 0.964 0.703 CB 1.707 105 residues pruned to eliminate duplicates Z: 15 30.255 2.283 0.884 0.723 0.929 0.429 CA 1.655 15 residues pruned to eliminate duplicates Z: 53 49.954 2.211 0.817 0.573 0.942 0.577 CB 1.706 53 residues pruned to eliminate duplicates Z: 64 66.745 2.344 1.011 0.581 0.952 0.683 CB 1.733 64 residues pruned to eliminate duplicates Z: 58 71.142 2.391 1.067 0.612 0.965 0.702 CB 1.777 58 residues pruned to eliminate duplicates Z: 128 88.943 2.304 0.975 0.592 0.945 0.646 CB 1.681 128 residues pruned to eliminate duplicates Z: 141 89.247 2.281 0.973 0.577 0.929 0.671 CB 1.675 141 residues pruned to eliminate duplicates Z: 69 70.095 2.326 1.069 0.564 0.971 0.647 CB 1.711 69 residues pruned to eliminate duplicates Z: 77 58.840 2.235 1.013 0.506 0.908 0.618 CB 1.643 77 residues pruned to eliminate duplicates Z: 60 68.557 2.380 1.002 0.611 0.966 0.695 CB 1.744 60 residues pruned to eliminate duplicates Z: 82 66.550 2.241 1.043 0.555 0.914 0.679 CB 1.676 82 residues pruned to eliminate duplicates Z: 65 67.121 2.339 1.020 0.590 0.969 0.719 CB 1.682 65 residues pruned to eliminate duplicates Z: 71 64.007 2.295 0.997 0.535 0.943 0.629 CB 1.710 71 residues pruned to eliminate duplicates Z: 66 63.454 2.279 0.997 0.560 0.938 0.692 CB 1.738 66 residues pruned to eliminate duplicates Z: 63 70.693 2.343 1.045 0.593 0.952 0.661 CB 1.803 63 residues pruned to eliminate duplicates Z: 62 68.265 2.352 1.050 0.592 0.951 0.721 CB 1.746 62 residues pruned to eliminate duplicates Z: 58 71.307 2.396 0.995 0.643 0.965 0.737 CB 1.792 58 residues pruned to eliminate duplicates Z: 65 68.623 2.331 1.011 0.605 0.969 0.781 CB 1.709 65 residues pruned to eliminate duplicates Z: 125 84.720 2.306 0.851 0.602 0.952 0.694 CB 1.699 125 residues pruned to eliminate duplicates Z: 68 58.325 2.240 0.798 0.600 0.970 0.776 CB 1.658 59 residues pruned to eliminate duplicates Z: 6 3.238 1.781 0.570 0.232 0.600 0.600 CB 1.179 6 residues pruned to eliminate duplicates Z: 61 53.905 2.238 0.778 0.616 0.933 0.733 CB 1.679 61 residues pruned to eliminate duplicates Z: 61 53.950 2.245 0.779 0.603 0.967 0.767 CB 1.636 61 residues pruned to eliminate duplicates Z: 68 56.783 2.222 0.859 0.585 0.955 0.746 CB 1.620 68 residues pruned to eliminate duplicates Z: 6 3.628 1.736 1.228 0.298 0.600 0.400 CA 0.877 Z: 6 2.096 1.526 1.115 0.283 0.600 0.400 CA 0.618 6 residues pruned to eliminate duplicates Z: 60 54.934 2.256 0.736 0.629 0.966 0.763 CB 1.674 66 residues pruned to eliminate duplicates Z: 66 56.982 2.265 0.827 0.581 0.938 0.646 CB 1.684 66 residues pruned to eliminate duplicates Z: 62 55.419 2.243 0.743 0.612 0.984 0.738 CB 1.659 62 residues pruned to eliminate duplicates Z: 59 55.874 2.268 0.743 0.625 1.000 0.793 CB 1.650 59 residues pruned to eliminate duplicates Z: 49 41.763 2.168 0.669 0.602 0.958 0.625 CB 1.578 49 residues pruned to eliminate duplicates Z: 59 56.513 2.245 0.848 0.624 0.948 0.793 CB 1.679 59 residues pruned to eliminate duplicates Z: 60 54.072 2.257 0.737 0.622 0.983 0.712 CB 1.628 60 residues pruned to eliminate duplicates Z: 61 53.871 2.263 0.726 0.626 0.950 0.733 CB 1.666 61 residues pruned to eliminate duplicates Z: 61 53.951 2.243 0.775 0.621 0.933 0.733 CB 1.672 61 residues pruned to eliminate duplicates Z: 60 56.346 2.262 0.848 0.627 0.949 0.780 CB 1.641 60 residues pruned to eliminate duplicates Z: 61 56.919 2.236 0.802 0.620 0.967 0.650 CB 1.685 61 residues pruned to eliminate duplicates Z: 60 54.484 2.255 0.775 0.614 0.966 0.729 CB 1.647 60 residues pruned to eliminate duplicates Z: 61 53.890 2.201 0.843 0.586 0.967 0.600 CB 1.634 61 residues pruned to eliminate duplicates Z: 62 58.018 2.289 0.839 0.605 0.951 0.689 CB 1.679 62 residues pruned to eliminate duplicates Z: 61 54.515 2.228 0.843 0.601 0.983 0.667 CB 1.583 61 residues pruned to eliminate duplicates Z: 67 57.457 2.247 0.839 0.586 0.970 0.682 CB 1.625 67 residues pruned to eliminate duplicates Z: 101 68.276 2.220 0.866 0.616 0.920 0.670 CB 1.605 101 residues pruned to eliminate duplicates Z: 63 56.626 2.252 0.826 0.592 0.952 0.694 CB 1.682 63 residues pruned to eliminate duplicates Z: 67 58.868 2.251 0.900 0.587 0.955 0.682 CB 1.632 67 residues pruned to eliminate duplicates Z: 63 57.509 2.228 0.842 0.595 0.984 0.710 CB 1.652 63 residues pruned to eliminate duplicates Z: 74 45.057 2.129 0.744 0.526 0.863 0.616 CB 1.604 74 residues pruned to eliminate duplicates Z: 66 50.619 2.157 0.886 0.557 0.938 0.554 CB 1.556 66 residues pruned to eliminate duplicates Z: 60 58.610 2.242 0.934 0.612 0.966 0.746 CB 1.639 60 residues pruned to eliminate duplicates Z: 60 59.179 2.242 0.884 0.621 1.000 0.695 CB 1.626 60 residues pruned to eliminate duplicates Z: 62 54.591 2.226 0.838 0.604 0.951 0.689 CB 1.627 62 residues pruned to eliminate duplicates Z: 63 53.539 2.227 0.869 0.588 0.919 0.661 CB 1.633 63 residues pruned to eliminate duplicates Z: 58 55.127 2.231 0.813 0.652 0.965 0.754 CB 1.624 58 residues pruned to eliminate duplicates Z: 60 57.656 2.255 0.853 0.610 0.966 0.712 CB 1.676 60 residues pruned to eliminate duplicates Z: 62 58.464 2.250 0.904 0.586 0.967 0.672 CB 1.663 62 residues pruned to eliminate duplicates Z: 52 42.498 2.111 0.688 0.594 0.980 0.667 CB 1.557 52 residues pruned to eliminate duplicates Z: 69 60.096 2.193 0.949 0.595 0.956 0.676 CB 1.629 69 residues pruned to eliminate duplicates Z: 67 59.589 2.246 0.947 0.586 0.955 0.742 CB 1.618 67 residues pruned to eliminate duplicates Z: 64 55.150 2.223 0.927 0.565 0.952 0.698 CB 1.600 64 residues pruned to eliminate duplicates Z: 62 59.297 2.267 0.880 0.609 0.984 0.754 CB 1.633 62 residues pruned to eliminate duplicates Z: 62 53.241 2.213 0.808 0.623 0.934 0.754 CB 1.624 62 residues pruned to eliminate duplicates Z: 50 46.719 2.156 0.793 0.626 0.980 0.673 CB 1.565 50 residues pruned to eliminate duplicates Z: 60 62.066 2.258 0.920 0.635 0.983 0.780 CB 1.670 60 residues pruned to eliminate duplicates Z: 59 63.822 2.273 0.996 0.639 0.983 0.741 CB 1.651 59 residues pruned to eliminate duplicates Z: 61 59.376 2.227 0.878 0.629 0.983 0.633 CB 1.651 61 residues pruned to eliminate duplicates Z: 7 22.252 2.423 0.551 0.787 1.000 0.833 CB 1.879 Z: 6 2.832 1.670 0.612 0.202 0.800 0.600 CB 0.838 Z: 6 4.170 2.174 0.239 0.267 0.800 0.400 CB 1.128 6 residues pruned to eliminate duplicates Z: 6 3.794 1.768 0.865 0.342 1.000 0.400 CB 0.611 5 residues pruned to eliminate duplicates Z: 7 7.650 1.551 0.879 0.424 1.000 0.333 N 1.160 7 residues pruned to eliminate duplicates Z: 6 6.977 1.441 1.179 0.439 1.000 0.600 C 1.059 6 residues pruned to eliminate duplicates Z: 34 41.674 2.131 1.145 0.628 0.879 0.545 CB 1.601 34 residues pruned to eliminate duplicates Z: 15 28.845 2.134 1.337 0.706 0.929 0.714 CB 1.381 15 residues pruned to eliminate duplicates Z: 154 94.225 2.276 0.972 0.610 0.928 0.621 CB 1.647 168 residues pruned to eliminate duplicates Z: 44 42.079 2.163 1.046 0.607 0.884 0.535 CB 1.483 40 residues pruned to eliminate duplicates Z: 8 8.045 1.665 0.799 0.443 0.857 0.571 C 1.256 8 residues pruned to eliminate duplicates Z: 28 37.112 2.206 1.069 0.656 0.889 0.519 CB 1.523 28 residues pruned to eliminate duplicates Z: 50 38.375 2.132 0.932 0.537 0.837 0.469 CB 1.534 44 residues pruned to eliminate duplicates Z: 16 21.372 2.092 1.198 0.693 0.733 0.400 CB 1.372 16 residues pruned to eliminate duplicates Z: 19 21.503 2.194 0.702 0.544 0.889 0.667 CB 1.462 19 residues pruned to eliminate duplicates Z: 16 23.920 2.228 1.166 0.586 0.867 0.667 CB 1.360 16 residues pruned to eliminate duplicates Z: 35 20.549 2.016 0.617 0.495 0.765 0.588 CB 1.421 35 residues pruned to eliminate duplicates Z: 28 25.617 2.130 0.800 0.589 0.852 0.704 CB 1.385 28 residues pruned to eliminate duplicates Z: 18 28.865 2.243 1.075 0.668 0.882 0.588 CB 1.460 18 residues pruned to eliminate duplicates Z: 39 39.610 2.159 0.938 0.629 0.868 0.605 CB 1.567 39 residues pruned to eliminate duplicates Z: 43 35.193 2.098 0.842 0.556 0.929 0.619 CB 1.433 43 residues pruned to eliminate duplicates Z: 30 30.370 2.108 0.831 0.604 0.897 0.655 CB 1.477 30 residues pruned to eliminate duplicates Z: 36 33.309 2.173 0.903 0.564 0.857 0.657 CB 1.493 36 residues pruned to eliminate duplicates Z: 27 40.774 2.217 1.170 0.670 0.923 0.692 CB 1.539 27 residues pruned to eliminate duplicates Z: 38 40.198 2.192 0.859 0.656 0.865 0.730 CB 1.622 38 residues pruned to eliminate duplicates Z: 24 33.648 2.157 0.805 0.700 0.913 0.652 CB 1.645 24 residues pruned to eliminate duplicates Z: 36 39.495 2.172 0.974 0.674 0.886 0.629 CB 1.497 36 residues pruned to eliminate duplicates Z: 45 41.679 2.195 0.980 0.584 0.886 0.636 CB 1.505 45 residues pruned to eliminate duplicates Z: 55 52.238 2.246 0.754 0.625 0.963 0.648 CB 1.665 24 residues pruned to eliminate duplicates Z: 23 34.246 2.078 1.046 0.798 0.909 0.500 CB 1.455 23 residues pruned to eliminate duplicates Z: 11 18.430 2.066 0.837 0.692 0.800 0.400 CB 1.611 11 residues pruned to eliminate duplicates Z: 22 10.795 1.897 0.637 0.375 0.714 0.476 CB 1.213 22 residues pruned to eliminate duplicates Z: 12 14.224 1.895 0.780 0.591 0.909 0.545 CB 1.282 12 residues pruned to eliminate duplicates Z: 12 17.785 2.044 0.818 0.612 0.818 0.545 CB 1.586 12 residues pruned to eliminate duplicates Z: 29 21.773 1.982 0.982 0.530 0.857 0.571 CB 1.186 29 residues pruned to eliminate duplicates Z: 25 16.039 1.900 0.783 0.318 0.833 0.375 CB 1.417 25 residues pruned to eliminate duplicates Z: 20 15.131 1.996 0.773 0.456 0.842 0.421 CB 1.218 20 residues pruned to eliminate duplicates Z: 42 33.518 2.106 1.030 0.519 0.854 0.610 CB 1.407 42 residues pruned to eliminate duplicates Z: 33 43.124 2.195 1.156 0.621 0.938 0.562 CB 1.532 33 residues pruned to eliminate duplicates Z: 42 39.209 2.228 1.050 0.488 0.829 0.537 CB 1.637 42 residues pruned to eliminate duplicates Z: 40 41.966 2.191 1.112 0.542 0.897 0.487 CB 1.553 40 residues pruned to eliminate duplicates Z: 26 34.034 2.254 1.019 0.656 0.880 0.400 CB 1.471 26 residues pruned to eliminate duplicates Z: 99 66.741 2.219 0.940 0.584 0.918 0.592 CB 1.574 99 residues pruned to eliminate duplicates Z: 31 32.828 2.204 1.082 0.561 0.833 0.567 CB 1.477 31 residues pruned to eliminate duplicates Z: 44 46.508 2.236 1.172 0.576 0.907 0.605 CB 1.496 44 residues pruned to eliminate duplicates Z: 23 31.492 2.136 1.289 0.594 0.909 0.545 CB 1.380 23 residues pruned to eliminate duplicates Z: 94 68.822 2.268 1.010 0.571 0.914 0.645 CB 1.600 67 residues pruned to eliminate duplicates Z: 14 38.860 2.228 1.318 0.867 1.000 0.692 CB 1.527 15 residues pruned to eliminate duplicates Z: 15 36.459 2.157 1.076 0.818 1.000 0.786 CB 1.651 15 residues pruned to eliminate duplicates Z: 30 40.025 2.270 1.122 0.617 0.897 0.517 CB 1.541 26 residues pruned to eliminate duplicates Z: 10 24.409 2.132 0.987 0.779 1.000 0.556 CB 1.502 10 residues pruned to eliminate duplicates Z: 51 42.689 2.186 1.023 0.540 0.860 0.560 CB 1.527 38 residues pruned to eliminate duplicates Z: 28 25.181 1.917 0.569 0.817 0.889 0.667 CA 1.376 28 residues pruned to eliminate duplicates Z: 12 19.554 2.192 1.025 0.628 0.909 0.455 CB 1.295 12 residues pruned to eliminate duplicates Z: 12 13.162 1.959 0.896 0.585 0.818 0.455 CB 1.204 12 residues pruned to eliminate duplicates Z: 11 19.833 2.189 1.105 0.699 0.800 0.700 CB 1.419 11 residues pruned to eliminate duplicates Z: 13 14.591 1.957 1.170 0.570 0.750 0.667 CB 1.236 13 residues pruned to eliminate duplicates Z: 49 34.485 2.111 0.961 0.526 0.854 0.521 CB 1.371 49 residues pruned to eliminate duplicates Z: 23 25.661 2.193 1.052 0.605 0.773 0.591 CB 1.424 23 residues pruned to eliminate duplicates Z: 12 14.191 1.976 0.996 0.554 0.818 0.727 CB 1.259 12 residues pruned to eliminate duplicates Z: 57 68.086 2.339 0.983 0.639 1.000 0.714 CA 1.723 57 residues pruned to eliminate duplicates Z: 63 68.178 2.320 1.074 0.585 0.968 0.694 CA 1.713 63 residues pruned to eliminate duplicates Z: 67 66.505 2.319 1.053 0.577 0.939 0.667 CA 1.700 67 residues pruned to eliminate duplicates Z: 71 67.792 2.322 1.027 0.570 0.957 0.629 CB 1.682 71 residues pruned to eliminate duplicates Z: 65 64.974 2.332 0.977 0.584 0.953 0.672 CB 1.705 65 residues pruned to eliminate duplicates Z: 66 68.982 2.348 1.003 0.594 0.969 0.692 CA 1.715 66 residues pruned to eliminate duplicates Z: 59 66.227 2.338 0.940 0.637 0.966 0.741 CA 1.746 59 residues pruned to eliminate duplicates Z: 64 64.752 2.344 0.993 0.589 0.937 0.714 CB 1.713 64 residues pruned to eliminate duplicates Z: 60 65.976 2.310 1.091 0.610 0.966 0.644 CB 1.658 60 residues pruned to eliminate duplicates Z: 120 92.301 2.317 0.971 0.598 0.958 0.672 CB 1.762 120 residues pruned to eliminate duplicates Z: 63 64.059 2.310 1.049 0.573 0.935 0.597 CA 1.713 63 residues pruned to eliminate duplicates Z: 75 57.909 2.242 1.068 0.514 0.878 0.514 CB 1.630 75 residues pruned to eliminate duplicates Z: 62 54.684 2.237 0.864 0.580 0.902 0.721 CB 1.724 62 residues pruned to eliminate duplicates Z: 66 59.292 2.265 0.872 0.590 0.923 0.738 CB 1.724 66 residues pruned to eliminate duplicates Z: 61 61.210 2.296 0.877 0.600 0.917 0.733 CB 1.819 61 residues pruned to eliminate duplicates Z: 64 61.217 2.275 0.879 0.580 0.937 0.730 CB 1.784 64 residues pruned to eliminate duplicates Z: 66 60.070 2.243 0.827 0.572 0.969 0.754 CB 1.751 66 residues pruned to eliminate duplicates Z: 67 60.742 2.258 0.948 0.558 0.924 0.682 CB 1.739 67 residues pruned to eliminate duplicates Z: 64 57.595 2.273 0.815 0.564 0.921 0.635 CB 1.795 64 residues pruned to eliminate duplicates Z: 61 61.310 2.282 0.846 0.615 0.950 0.650 CB 1.774 61 residues pruned to eliminate duplicates Z: 62 63.863 2.316 0.920 0.596 0.934 0.689 CB 1.797 62 residues pruned to eliminate duplicates Z: 63 59.287 2.299 0.870 0.554 0.935 0.645 CA 1.777 63 residues pruned to eliminate duplicates Z: 113 95.113 2.344 0.975 0.631 0.964 0.768 CB 1.781 113 residues pruned to eliminate duplicates Z: 60 66.173 2.345 0.882 0.595 0.983 0.695 CB 1.814 60 residues pruned to eliminate duplicates Z: 63 51.860 2.252 0.817 0.576 0.871 0.677 CB 1.717 63 residues pruned to eliminate duplicates Z: 63 62.223 2.311 0.901 0.573 0.968 0.677 CB 1.733 63 residues pruned to eliminate duplicates Z: 65 60.509 2.277 0.897 0.566 0.938 0.641 CB 1.752 65 residues pruned to eliminate duplicates Z: 65 59.127 2.299 0.835 0.584 0.922 0.625 CB 1.753 65 residues pruned to eliminate duplicates Z: 60 66.749 2.280 0.985 0.608 0.966 0.678 CA 1.795 60 residues pruned to eliminate duplicates Z: 62 64.005 2.299 0.944 0.578 0.984 0.672 CB 1.729 62 residues pruned to eliminate duplicates Z: 63 61.905 2.291 0.885 0.585 0.952 0.742 CB 1.763 63 residues pruned to eliminate duplicates Z: 65 64.602 2.299 0.885 0.596 0.969 0.672 CB 1.754 65 residues pruned to eliminate duplicates Z: 63 61.170 2.282 0.930 0.570 0.935 0.629 CA 1.763 63 residues pruned to eliminate duplicates Z: 67 60.214 2.266 0.880 0.571 0.939 0.682 CA 1.729 67 residues pruned to eliminate duplicates Z: 123 91.528 2.321 0.979 0.584 0.959 0.713 CB 1.736 123 residues pruned to eliminate duplicates Z: 50 42.687 2.145 0.743 0.598 0.898 0.673 CA 1.654 50 residues pruned to eliminate duplicates Z: 67 62.827 2.253 0.917 0.572 0.955 0.621 CA 1.750 67 residues pruned to eliminate duplicates Z: 69 66.180 2.264 0.942 0.589 0.985 0.676 CB 1.701 69 residues pruned to eliminate duplicates Z: 65 61.309 2.280 0.916 0.574 0.953 0.672 CB 1.715 65 residues pruned to eliminate duplicates Z: 66 60.634 2.289 0.863 0.580 0.938 0.662 CA 1.740 66 residues pruned to eliminate duplicates Z: 59 63.451 2.293 0.907 0.616 0.966 0.690 CB 1.767 59 residues pruned to eliminate duplicates Z: 43 45.700 2.234 0.797 0.628 0.929 0.714 CB 1.677 43 residues pruned to eliminate duplicates Z: 67 62.547 2.265 0.937 0.592 0.924 0.621 CB 1.739 67 residues pruned to eliminate duplicates Z: 62 65.494 2.287 0.978 0.587 0.967 0.623 CB 1.763 62 residues pruned to eliminate duplicates Z: 66 67.491 2.299 0.992 0.579 0.969 0.677 CB 1.749 66 residues pruned to eliminate duplicates Z: 61 61.481 2.269 0.974 0.603 0.917 0.650 CA 1.754 61 residues pruned to eliminate duplicates Z: 63 61.104 2.286 0.964 0.560 0.952 0.597 CB 1.714 63 residues pruned to eliminate duplicates Z: 61 63.961 2.320 0.933 0.605 0.967 0.700 CB 1.725 61 residues pruned to eliminate duplicates Z: 61 63.888 2.306 0.927 0.597 0.950 0.667 CA 1.782 61 residues pruned to eliminate duplicates Z: 64 61.662 2.281 0.917 0.574 0.952 0.667 CB 1.737 64 residues pruned to eliminate duplicates Z: 66 62.403 2.287 0.941 0.572 0.938 0.646 CB 1.732 66 residues pruned to eliminate duplicates Z: 64 63.816 2.305 0.969 0.589 0.921 0.714 CB 1.766 64 residues pruned to eliminate duplicates Z: 66 59.609 2.245 0.913 0.556 0.938 0.631 CB 1.737 66 residues pruned to eliminate duplicates Z: 62 64.548 2.281 0.924 0.605 0.967 0.656 CA 1.763 62 residues pruned to eliminate duplicates Z: 63 67.844 2.304 0.978 0.583 0.968 0.629 CA 1.805 63 residues pruned to eliminate duplicates Z: 49 52.026 2.203 0.836 0.633 0.979 0.646 CA 1.674 49 residues pruned to eliminate duplicates Z: 65 62.822 2.269 0.897 0.580 0.953 0.641 CB 1.771 65 residues pruned to eliminate duplicates Z: 66 62.824 2.271 0.896 0.562 0.969 0.662 CA 1.758 66 residues pruned to eliminate duplicates Z: 72 62.549 2.245 0.900 0.568 0.958 0.662 CB 1.701 72 residues pruned to eliminate duplicates Z: 51 46.770 2.127 0.846 0.596 0.940 0.640 CB 1.636 51 residues pruned to eliminate duplicates Z: 62 64.703 2.309 0.921 0.587 0.951 0.672 CB 1.807 62 residues pruned to eliminate duplicates Z: 63 65.343 2.289 0.922 0.585 0.968 0.694 CB 1.796 63 residues pruned to eliminate duplicates Z: 67 62.397 2.265 0.901 0.572 0.955 0.621 CB 1.744 67 residues pruned to eliminate duplicates Z: 63 61.441 2.276 0.872 0.597 0.952 0.629 CB 1.755 63 residues pruned to eliminate duplicates Z: 67 67.631 2.247 0.976 0.582 0.985 0.697 CB 1.759 67 residues pruned to eliminate duplicates Z: 66 62.930 2.276 0.963 0.583 0.938 0.677 CB 1.720 66 residues pruned to eliminate duplicates Z: 62 64.934 2.305 0.934 0.585 0.967 0.689 CB 1.776 62 residues pruned to eliminate duplicates Z: 64 58.887 2.276 0.872 0.596 0.921 0.714 CB 1.725 64 residues pruned to eliminate duplicates Z: 66 59.958 2.284 0.866 0.596 0.923 0.677 CA 1.724 66 residues pruned to eliminate duplicates Z: 15 6.296 1.568 0.893 0.336 0.714 0.500 CB 0.950 15 residues pruned to eliminate duplicates Z: 72 63.304 2.226 1.011 0.582 0.958 0.634 CB 1.619 72 residues pruned to eliminate duplicates Z: 54 62.243 2.362 1.085 0.598 0.943 0.642 CA 1.676 54 residues pruned to eliminate duplicates Z: 16 12.374 2.000 0.912 0.297 0.800 0.400 CB 1.310 16 residues pruned to eliminate duplicates Z: 66 68.009 2.329 0.984 0.582 0.985 0.677 CB 1.713 66 residues pruned to eliminate duplicates Z: 65 67.510 2.349 0.957 0.591 0.969 0.703 CA 1.738 65 residues pruned to eliminate duplicates Z: 65 70.514 2.350 1.058 0.592 0.953 0.641 CB 1.751 65 residues pruned to eliminate duplicates Z: 65 65.480 2.356 0.903 0.576 0.969 0.750 CA 1.752 65 residues pruned to eliminate duplicates Z: 64 71.454 2.374 1.045 0.601 0.952 0.730 CA 1.769 64 residues pruned to eliminate duplicates Z: 66 69.470 2.339 1.024 0.594 0.969 0.677 CB 1.717 66 residues pruned to eliminate duplicates Z: 66 72.627 2.340 1.066 0.619 0.969 0.723 CA 1.718 66 residues pruned to eliminate duplicates Z: 62 72.096 2.381 1.067 0.602 0.967 0.705 CB 1.759 62 residues pruned to eliminate duplicates Z: 67 61.969 2.306 0.947 0.581 0.939 0.697 CB 1.673 67 residues pruned to eliminate duplicates Z: 66 64.969 2.314 1.025 0.576 0.954 0.662 CB 1.676 66 residues pruned to eliminate duplicates Z: 57 64.375 2.348 0.928 0.637 0.982 0.786 CA 1.702 57 residues pruned to eliminate duplicates Z: 59 66.866 2.301 1.132 0.604 0.948 0.621 CA 1.709 59 residues pruned to eliminate duplicates Z: 65 67.379 2.337 0.997 0.586 0.969 0.672 CA 1.715 65 residues pruned to eliminate duplicates Z: 61 65.351 2.316 1.012 0.608 0.950 0.650 CB 1.721 61 residues pruned to eliminate duplicates Z: 66 65.441 2.348 0.902 0.591 0.969 0.708 CB 1.718 66 residues pruned to eliminate duplicates Z: 65 66.911 2.358 1.047 0.592 0.906 0.719 CA 1.751 65 residues pruned to eliminate duplicates Z: 75 70.353 2.298 1.007 0.608 0.946 0.716 CB 1.692 75 residues pruned to eliminate duplicates Z: 128 94.160 2.324 0.998 0.597 0.953 0.677 CB 1.722 128 residues pruned to eliminate duplicates Z: 66 62.140 2.310 0.969 0.564 0.938 0.646 CB 1.698 66 residues pruned to eliminate duplicates Z: 66 67.246 2.333 0.987 0.579 0.969 0.738 CB 1.720 66 residues pruned to eliminate duplicates Z: 60 73.569 2.348 1.116 0.604 1.000 0.627 CB 1.746 60 residues pruned to eliminate duplicates Z: 45 53.062 2.305 0.926 0.656 0.955 0.705 CA 1.633 45 residues pruned to eliminate duplicates Z: 65 69.856 2.344 1.031 0.594 0.969 0.688 CA 1.730 65 residues pruned to eliminate duplicates Z: 64 70.517 2.335 1.092 0.605 0.968 0.714 CA 1.700 64 residues pruned to eliminate duplicates Z: 64 74.414 2.348 1.119 0.600 0.968 0.714 CA 1.769 64 residues pruned to eliminate duplicates Z: 64 68.594 2.355 1.032 0.601 0.952 0.651 CA 1.723 64 residues pruned to eliminate duplicates Z: 67 67.795 2.315 1.068 0.568 0.939 0.667 CB 1.737 67 residues pruned to eliminate duplicates Z: 128 93.291 2.325 0.978 0.588 0.961 0.661 CB 1.723 128 residues pruned to eliminate duplicates Z: 63 70.734 2.364 1.049 0.591 0.968 0.694 CB 1.756 63 residues pruned to eliminate duplicates Z: 65 73.200 2.361 1.080 0.592 0.984 0.625 CB 1.733 65 residues pruned to eliminate duplicates Z: 66 71.254 2.339 1.125 0.573 0.969 0.708 CB 1.709 66 residues pruned to eliminate duplicates Z: 67 67.957 2.327 1.017 0.591 0.939 0.758 CA 1.738 67 residues pruned to eliminate duplicates Z: 109 85.051 2.309 1.101 0.571 0.954 0.667 CB 1.652 109 residues pruned to eliminate duplicates Z: 65 71.492 2.363 1.058 0.602 0.953 0.750 CA 1.749 65 residues pruned to eliminate duplicates Z: 65 76.053 2.343 1.135 0.608 0.984 0.688 CB 1.743 65 residues pruned to eliminate duplicates Z: 69 74.080 2.338 1.059 0.603 0.971 0.691 CB 1.742 69 residues pruned to eliminate duplicates Z: 66 69.121 2.348 1.084 0.586 0.938 0.692 CB 1.718 66 residues pruned to eliminate duplicates Z: 65 69.206 2.344 0.977 0.592 0.984 0.703 CB 1.737 65 residues pruned to eliminate duplicates Z: 76 64.681 2.276 1.020 0.547 0.947 0.680 CB 1.639 76 residues pruned to eliminate duplicates Z: 65 68.809 2.356 1.037 0.592 0.953 0.719 CA 1.722 65 residues pruned to eliminate duplicates Z: 66 66.579 2.324 1.035 0.569 0.954 0.677 CB 1.712 66 residues pruned to eliminate duplicates Z: 68 70.313 2.317 0.969 0.638 0.955 0.731 CB 1.732 68 residues pruned to eliminate duplicates Z: 77 73.051 2.325 1.031 0.581 0.934 0.737 CB 1.758 77 residues pruned to eliminate duplicates Z: 106 76.891 2.270 0.991 0.593 0.943 0.610 CB 1.612 106 residues pruned to eliminate duplicates Z: 91 76.219 2.306 1.048 0.604 0.933 0.722 CB 1.651 91 residues pruned to eliminate duplicates Z: 69 38.606 2.083 0.944 0.538 0.853 0.412 CB 1.307 78 residues pruned to eliminate duplicates Z: 6 4.317 1.590 0.219 0.320 1.000 0.800 CA 1.215 6 residues pruned to eliminate duplicates Z: 43 49.935 2.255 1.075 0.622 0.905 0.548 CB 1.622 43 residues pruned to eliminate duplicates Z: 41 55.340 2.298 1.299 0.647 0.925 0.500 CB 1.561 41 residues pruned to eliminate duplicates Z: 20 30.479 2.064 1.212 0.522 0.895 0.684 CB 1.675 20 residues pruned to eliminate duplicates Z: 33 48.142 2.179 1.263 0.652 0.969 0.562 CB 1.546 33 residues pruned to eliminate duplicates Z: 19 33.735 2.203 1.293 0.544 0.944 0.667 CA 1.597 19 residues pruned to eliminate duplicates Z: 28 38.858 2.252 0.982 0.572 0.926 0.741 CB 1.688 28 residues pruned to eliminate duplicates Z: 42 34.361 2.143 0.910 0.423 0.927 0.634 CB 1.534 42 residues pruned to eliminate duplicates Z: 33 43.415 2.198 1.081 0.617 0.969 0.625 CB 1.550 33 residues pruned to eliminate duplicates Z: 20 33.475 2.183 1.188 0.601 0.947 0.684 CB 1.541 20 residues pruned to eliminate duplicates Z: 44 42.236 2.205 0.897 0.582 0.930 0.581 CB 1.530 44 residues pruned to eliminate duplicates Z: 93 82.385 2.305 1.047 0.647 0.957 0.663 CB 1.659 59 residues pruned to eliminate duplicates 439 residues left after pruning, divided into chains as follows: A: 12 B: 103 C: 125 D: 39 E: 14 F: 116 G: 30 CC for partial structure against native data = 36.16 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.445, Connect. = 0.716 for dens.mod. cycle 1 = 0.300, Contrast = 0.518, Connect. = 0.748 for dens.mod. cycle 2 = 0.300, Contrast = 0.608, Connect. = 0.779 for dens.mod. cycle 3 = 0.300, Contrast = 0.616, Connect. = 0.784 for dens.mod. cycle 4 = 0.300, Contrast = 0.626, Connect. = 0.788 for dens.mod. cycle 5 = 0.300, Contrast = 0.629, Connect. = 0.790 for dens.mod. cycle 6 = 0.300, Contrast = 0.633, Connect. = 0.792 for dens.mod. cycle 7 = 0.300, Contrast = 0.633, Connect. = 0.793 for dens.mod. cycle 8 = 0.300, Contrast = 0.635, Connect. = 0.794 for dens.mod. cycle 9 = 0.300, Contrast = 0.634, Connect. = 0.795 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4316 peaks > 0.5 sigma used to seed fragment search Space for about 746 unique residues taking solvent into account 863 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 13 28.533 2.076 1.313 0.612 1.000 0.917 C 1.542 B: 58 59.002 2.277 0.814 0.648 1.000 0.789 CB 1.648 C: 34 41.285 2.161 1.070 0.688 0.879 0.667 CA 1.538 12 residues pruned to eliminate duplicates D: 62 57.135 2.274 0.715 0.609 0.951 0.705 CB 1.778 E: 61 64.402 2.358 0.893 0.597 0.967 0.667 CB 1.756 F: 28 33.543 2.258 0.930 0.462 0.926 0.630 CB 1.663 28 residues pruned to eliminate duplicates G: 123 87.699 2.323 0.956 0.583 0.918 0.697 CA 1.757 62 residues pruned to eliminate duplicates H: 15 31.325 2.271 1.317 0.651 0.857 0.714 CB 1.612 16 residues pruned to eliminate duplicates I: 15 32.243 2.404 0.751 0.722 0.929 0.571 CB 1.804 15 residues pruned to eliminate duplicates J: 45 35.376 2.165 0.739 0.595 0.795 0.500 CB 1.626 34 residues pruned to eliminate duplicates K: 15 30.044 2.077 0.647 0.868 1.000 0.643 CB 1.716 15 residues pruned to eliminate duplicates L: 118 84.508 2.298 0.895 0.592 0.940 0.684 CA 1.748 119 residues pruned to eliminate duplicates M: 15 24.824 2.154 0.384 0.934 1.000 0.786 CA 1.551 15 residues pruned to eliminate duplicates N: 66 60.929 2.260 0.920 0.590 0.938 0.662 CB 1.703 66 residues pruned to eliminate duplicates O: 7 8.184 1.828 0.263 0.816 0.833 0.833 CB 1.320 7 residues pruned to eliminate duplicates P: 61 55.588 2.263 0.854 0.593 0.950 0.650 CB 1.647 61 residues pruned to eliminate duplicates Q: 79 74.104 2.352 0.949 0.612 0.949 0.731 CB 1.735 78 residues pruned to eliminate duplicates R: 37 35.333 2.214 0.923 0.587 0.806 0.611 CB 1.580 S: 12 45.425 2.507 1.585 0.783 0.909 0.727 CB 1.812 14 residues pruned to eliminate duplicates T: 14 31.150 2.296 1.189 0.708 0.846 0.692 CA 1.682 14 residues pruned to eliminate duplicates U: 62 66.630 2.346 1.044 0.600 0.934 0.672 CB 1.732 62 residues pruned to eliminate duplicates V: 26 49.030 2.232 1.320 0.731 0.920 0.640 CB 1.672 26 residues pruned to eliminate duplicates W: 64 61.919 2.274 0.804 0.592 0.984 0.746 CB 1.770 64 residues pruned to eliminate duplicates X: 39 39.637 2.150 0.816 0.656 0.895 0.474 CB 1.592 37 residues pruned to eliminate duplicates Y: 62 66.387 2.287 0.954 0.605 0.967 0.836 CB 1.780 62 residues pruned to eliminate duplicates Z: 61 67.949 2.289 0.945 0.620 0.983 0.750 CA 1.790 61 residues pruned to eliminate duplicates Z: 58 54.569 2.234 0.738 0.610 1.000 0.684 CB 1.677 58 residues pruned to eliminate duplicates Z: 31 42.121 2.224 1.183 0.624 0.900 0.500 CB 1.566 Z: 13 28.217 2.144 1.419 0.689 0.917 0.583 CA 1.442 13 residues pruned to eliminate duplicates Z: 63 59.144 2.276 0.801 0.597 0.952 0.742 CB 1.756 63 residues pruned to eliminate duplicates Z: 64 62.185 2.300 0.982 0.616 0.952 0.810 CB 1.616 7 residues pruned to eliminate duplicates Z: 67 52.523 2.259 0.704 0.589 0.939 0.682 CB 1.642 58 residues pruned to eliminate duplicates Z: 15 28.735 2.071 0.765 0.865 1.000 0.857 CA 1.538 15 residues pruned to eliminate duplicates Z: 16 31.675 2.345 0.665 0.808 0.933 0.733 CA 1.715 16 residues pruned to eliminate duplicates Z: 57 52.588 2.267 0.702 0.628 0.964 0.679 CB 1.673 57 residues pruned to eliminate duplicates Z: 60 68.520 2.323 1.041 0.624 0.966 0.746 CB 1.733 60 residues pruned to eliminate duplicates Z: 34 50.832 2.344 0.969 0.695 1.000 0.879 CA 1.605 34 residues pruned to eliminate duplicates Z: 15 29.058 2.036 1.062 0.853 1.000 0.786 CB 1.367 15 residues pruned to eliminate duplicates Z: 67 66.291 2.322 0.945 0.602 0.970 0.667 CB 1.690 67 residues pruned to eliminate duplicates Z: 15 26.182 2.124 0.541 0.932 1.000 0.929 CA 1.493 15 residues pruned to eliminate duplicates Z: 51 36.840 2.129 0.614 0.548 0.960 0.600 CB 1.507 51 residues pruned to eliminate duplicates Z: 35 48.479 2.227 1.103 0.727 0.912 0.500 CB 1.587 35 residues pruned to eliminate duplicates Z: 63 62.977 2.290 0.877 0.592 0.952 0.694 CB 1.792 63 residues pruned to eliminate duplicates Z: 58 62.830 2.294 0.903 0.625 0.965 0.737 CB 1.756 58 residues pruned to eliminate duplicates Z: 60 64.345 2.315 1.005 0.618 0.915 0.746 CB 1.764 60 residues pruned to eliminate duplicates Z: 67 69.044 2.301 1.052 0.601 0.955 0.758 CB 1.713 67 residues pruned to eliminate duplicates Z: 23 36.191 2.121 1.037 0.804 0.909 0.409 CB 1.506 23 residues pruned to eliminate duplicates Z: 69 56.889 2.236 0.784 0.577 0.956 0.735 CB 1.681 69 residues pruned to eliminate duplicates Z: 64 67.693 2.359 1.009 0.601 0.952 0.651 CB 1.716 63 residues pruned to eliminate duplicates Z: 15 25.805 2.113 0.535 0.932 1.000 0.714 CA 1.484 15 residues pruned to eliminate duplicates Z: 15 27.100 2.277 0.580 0.826 0.857 0.571 CB 1.771 15 residues pruned to eliminate duplicates Z: 66 59.607 2.257 0.872 0.622 0.969 0.754 CB 1.609 66 residues pruned to eliminate duplicates Z: 74 70.781 2.318 1.023 0.578 0.959 0.644 CB 1.709 74 residues pruned to eliminate duplicates Z: 56 68.930 2.353 0.990 0.656 1.000 0.745 CB 1.717 56 residues pruned to eliminate duplicates Z: 26 32.540 2.108 1.200 0.608 0.880 0.640 CB 1.439 26 residues pruned to eliminate duplicates Z: 16 29.282 2.308 0.744 0.718 0.867 0.467 CA 1.780 16 residues pruned to eliminate duplicates Z: 16 29.256 2.269 0.656 0.786 0.933 0.467 CB 1.674 16 residues pruned to eliminate duplicates Z: 15 21.097 2.130 0.371 0.902 0.929 0.714 CA 1.484 15 residues pruned to eliminate duplicates Z: 15 30.762 2.170 1.239 0.588 0.929 0.786 CA 1.675 15 residues pruned to eliminate duplicates Z: 57 54.554 2.264 0.710 0.667 0.982 0.732 CB 1.643 57 residues pruned to eliminate duplicates Z: 13 25.456 2.131 0.650 0.883 1.000 0.750 CB 1.511 13 residues pruned to eliminate duplicates Z: 14 30.992 2.138 0.772 0.883 1.000 0.923 CA 1.641 14 residues pruned to eliminate duplicates Z: 58 57.336 2.279 0.791 0.651 0.965 0.754 CB 1.675 58 residues pruned to eliminate duplicates Z: 16 24.986 2.233 0.556 0.778 0.867 0.533 CA 1.676 16 residues pruned to eliminate duplicates Z: 64 57.521 2.233 0.957 0.599 0.937 0.651 CB 1.612 62 residues pruned to eliminate duplicates Z: 120 83.690 2.304 0.885 0.630 0.941 0.706 CB 1.661 120 residues pruned to eliminate duplicates Z: 14 24.229 2.116 0.953 0.903 0.923 0.846 CB 1.256 13 residues pruned to eliminate duplicates Z: 20 30.780 2.196 1.266 0.563 0.842 0.684 CB 1.584 21 residues pruned to eliminate duplicates Z: 69 59.773 2.282 0.928 0.581 0.941 0.779 CB 1.619 69 residues pruned to eliminate duplicates Z: 16 22.892 2.135 0.403 0.895 1.000 0.867 CA 1.416 16 residues pruned to eliminate duplicates Z: 30 42.576 2.309 1.173 0.560 0.931 0.690 CB 1.597 30 residues pruned to eliminate duplicates Z: 58 52.817 2.270 0.793 0.622 0.930 0.737 CB 1.647 58 residues pruned to eliminate duplicates Z: 102 83.740 2.277 1.047 0.615 0.950 0.634 CB 1.687 102 residues pruned to eliminate duplicates Z: 36 44.074 2.239 1.038 0.669 0.886 0.514 CB 1.576 36 residues pruned to eliminate duplicates Z: 14 26.811 2.052 0.883 0.869 0.923 0.846 CA 1.523 14 residues pruned to eliminate duplicates Z: 16 25.093 1.929 0.871 0.846 0.933 0.800 CB 1.429 16 residues pruned to eliminate duplicates Z: 65 62.875 2.301 0.906 0.611 0.969 0.781 CB 1.664 65 residues pruned to eliminate duplicates Z: 16 19.767 2.016 1.265 0.531 0.800 0.600 CA 1.355 16 residues pruned to eliminate duplicates Z: 14 31.685 1.990 1.063 0.914 1.000 0.846 CA 1.514 14 residues pruned to eliminate duplicates Z: 63 61.880 2.270 0.931 0.624 0.968 0.742 CB 1.648 63 residues pruned to eliminate duplicates Z: 13 13.892 2.020 0.387 0.858 0.833 0.417 CB 1.265 13 residues pruned to eliminate duplicates Z: 42 43.617 2.219 1.150 0.615 0.854 0.585 CB 1.500 32 residues pruned to eliminate duplicates Z: 61 54.144 2.248 0.747 0.609 0.967 0.750 CB 1.660 61 residues pruned to eliminate duplicates Z: 119 93.165 2.347 0.989 0.603 0.949 0.678 CA 1.755 123 residues pruned to eliminate duplicates Z: 11 23.450 1.971 0.835 0.784 1.000 0.700 CA 1.597 11 residues pruned to eliminate duplicates Z: 17 18.712 1.981 0.557 0.738 0.875 0.562 CB 1.400 17 residues pruned to eliminate duplicates Z: 16 23.917 2.075 0.466 0.914 1.000 0.800 CA 1.437 16 residues pruned to eliminate duplicates Z: 57 67.583 2.328 0.973 0.651 0.982 0.732 CB 1.740 57 residues pruned to eliminate duplicates Z: 67 65.702 2.316 0.941 0.570 0.985 0.652 CA 1.707 67 residues pruned to eliminate duplicates Z: 66 68.828 2.345 1.014 0.594 0.969 0.769 CA 1.705 66 residues pruned to eliminate duplicates Z: 16 24.334 2.240 0.492 0.728 1.000 0.600 CB 1.530 16 residues pruned to eliminate duplicates Z: 14 26.216 2.211 0.403 0.949 1.000 1.000 CB 1.618 14 residues pruned to eliminate duplicates Z: 15 27.913 2.356 0.724 0.728 0.857 0.429 CA 1.744 15 residues pruned to eliminate duplicates Z: 47 43.134 2.231 0.755 0.616 0.870 0.739 CA 1.674 47 residues pruned to eliminate duplicates Z: 69 64.654 2.267 1.001 0.592 0.985 0.676 CB 1.606 69 residues pruned to eliminate duplicates Z: 15 22.011 2.215 0.261 0.848 1.000 0.643 CA 1.563 15 residues pruned to eliminate duplicates Z: 79 70.750 2.293 1.020 0.585 0.936 0.692 CB 1.702 79 residues pruned to eliminate duplicates Z: 16 30.937 2.362 0.560 0.783 0.933 0.733 CA 1.811 16 residues pruned to eliminate duplicates Z: 11 11.357 1.962 0.304 0.858 0.900 0.600 CB 1.149 11 residues pruned to eliminate duplicates Z: 14 30.166 2.456 0.629 0.739 0.923 0.615 CB 1.829 14 residues pruned to eliminate duplicates Z: 16 23.877 2.081 0.559 0.911 0.933 0.733 CA 1.444 16 residues pruned to eliminate duplicates Z: 27 45.736 2.244 1.297 0.699 0.885 0.500 CB 1.641 27 residues pruned to eliminate duplicates Z: 16 24.937 2.261 0.494 0.769 0.933 0.667 CB 1.608 16 residues pruned to eliminate duplicates Z: 44 42.898 2.221 0.987 0.582 0.884 0.581 CB 1.550 36 residues pruned to eliminate duplicates Z: 14 25.572 2.133 0.979 0.888 1.000 0.923 CB 1.211 14 residues pruned to eliminate duplicates Z: 67 66.442 2.321 0.996 0.575 0.970 0.636 CB 1.694 67 residues pruned to eliminate duplicates Z: 66 52.495 2.226 0.728 0.595 0.938 0.646 CB 1.647 66 residues pruned to eliminate duplicates Z: 65 58.574 2.243 0.957 0.587 0.969 0.672 CB 1.584 65 residues pruned to eliminate duplicates Z: 59 61.138 2.306 0.879 0.643 0.983 0.759 CB 1.649 60 residues pruned to eliminate duplicates Z: 124 80.357 2.281 0.823 0.576 0.951 0.691 CB 1.702 124 residues pruned to eliminate duplicates Z: 70 59.921 2.276 0.970 0.576 0.942 0.768 CB 1.587 70 residues pruned to eliminate duplicates Z: 14 26.231 1.992 0.709 0.891 1.000 0.923 CA 1.537 14 residues pruned to eliminate duplicates Z: 16 23.462 2.106 0.492 0.911 0.933 0.933 CA 1.464 16 residues pruned to eliminate duplicates Z: 15 23.561 2.132 0.430 0.930 1.000 0.786 CB 1.444 15 residues pruned to eliminate duplicates Z: 68 61.170 2.257 0.947 0.553 0.940 0.642 CA 1.717 68 residues pruned to eliminate duplicates Z: 66 61.635 2.256 0.983 0.610 0.969 0.754 CB 1.589 66 residues pruned to eliminate duplicates Z: 67 67.423 2.340 0.948 0.592 0.955 0.682 CB 1.747 67 residues pruned to eliminate duplicates Z: 30 41.661 2.310 1.191 0.523 0.862 0.724 CA 1.733 30 residues pruned to eliminate duplicates Z: 66 63.889 2.293 0.949 0.567 0.969 0.738 CB 1.715 66 residues pruned to eliminate duplicates Z: 67 62.653 2.317 0.865 0.584 0.955 0.667 CB 1.725 67 residues pruned to eliminate duplicates Z: 51 42.708 2.156 0.645 0.618 0.980 0.620 CB 1.554 51 residues pruned to eliminate duplicates Z: 61 58.988 2.302 0.916 0.599 0.967 0.750 CB 1.626 61 residues pruned to eliminate duplicates Z: 15 22.153 2.167 0.273 0.945 1.000 0.929 CB 1.486 15 residues pruned to eliminate duplicates Z: 56 69.473 2.368 0.930 0.662 1.000 0.782 CA 1.764 56 residues pruned to eliminate duplicates Z: 61 66.000 2.279 0.999 0.596 0.950 0.667 CB 1.797 63 residues pruned to eliminate duplicates Z: 15 26.899 2.081 0.716 0.863 1.000 0.786 CA 1.477 15 residues pruned to eliminate duplicates Z: 116 84.643 2.321 0.914 0.604 0.930 0.748 CB 1.730 63 residues pruned to eliminate duplicates Z: 11 29.051 2.312 0.612 0.887 1.000 0.700 CB 1.777 11 residues pruned to eliminate duplicates Z: 14 31.218 2.117 1.000 0.870 1.000 0.769 CB 1.492 14 residues pruned to eliminate duplicates Z: 11 20.224 1.992 0.463 0.872 1.000 0.700 CB 1.598 11 residues pruned to eliminate duplicates Z: 59 67.135 2.318 1.062 0.606 0.966 0.707 CB 1.728 59 residues pruned to eliminate duplicates Z: 14 26.984 2.318 0.558 0.737 1.000 0.615 CA 1.674 14 residues pruned to eliminate duplicates Z: 14 35.192 2.297 1.044 0.896 1.000 0.769 CA 1.489 14 residues pruned to eliminate duplicates Z: 16 24.637 2.092 0.564 0.920 0.933 0.733 CB 1.467 16 residues pruned to eliminate duplicates Z: 71 66.339 2.317 1.009 0.578 0.957 0.671 CB 1.651 69 residues pruned to eliminate duplicates Z: 68 74.683 2.318 1.075 0.631 0.970 0.716 CB 1.728 68 residues pruned to eliminate duplicates Z: 16 23.221 2.050 0.432 0.917 1.000 0.867 CB 1.442 16 residues pruned to eliminate duplicates Z: 13 19.236 1.928 1.174 0.599 0.833 0.667 CA 1.447 Z: 14 31.683 2.188 1.070 0.891 1.000 0.846 CB 1.395 14 residues pruned to eliminate duplicates Z: 15 40.265 2.094 1.203 0.892 1.000 0.786 CB 1.676 15 residues pruned to eliminate duplicates Z: 16 23.839 2.145 0.392 0.889 0.933 0.667 CA 1.589 16 residues pruned to eliminate duplicates Z: 14 34.336 2.141 1.093 0.889 1.000 0.923 CB 1.530 14 residues pruned to eliminate duplicates Z: 63 52.120 2.198 0.680 0.577 0.952 0.710 CB 1.749 63 residues pruned to eliminate duplicates Z: 11 23.666 2.385 0.416 0.830 0.900 0.700 CB 1.851 11 residues pruned to eliminate duplicates Z: 14 30.482 2.092 0.910 0.813 1.000 0.769 CA 1.611 14 residues pruned to eliminate duplicates Z: 18 26.411 2.184 0.976 0.531 0.941 0.765 CB 1.529 18 residues pruned to eliminate duplicates Z: 9 14.519 1.848 0.542 0.878 1.000 0.750 CB 1.307 9 residues pruned to eliminate duplicates Z: 19 30.741 2.179 1.186 0.600 0.889 0.667 CB 1.556 19 residues pruned to eliminate duplicates Z: 64 62.361 2.363 0.938 0.577 0.937 0.698 CB 1.700 64 residues pruned to eliminate duplicates Z: 15 22.207 2.124 0.602 0.762 0.929 0.643 CA 1.488 15 residues pruned to eliminate duplicates Z: 22 34.710 2.086 0.839 0.805 0.952 0.714 CA 1.589 22 residues pruned to eliminate duplicates Z: 6 9.716 2.024 0.620 0.822 1.000 0.600 CA 1.002 6 residues pruned to eliminate duplicates Z: 40 31.196 1.961 0.966 0.577 0.872 0.692 CB 1.380 13 residues pruned to eliminate duplicates Z: 15 27.611 2.149 0.546 0.936 1.000 0.786 CA 1.548 15 residues pruned to eliminate duplicates Z: 12 21.135 2.216 0.588 0.724 0.909 0.455 CA 1.628 12 residues pruned to eliminate duplicates Z: 84 51.919 2.209 0.672 0.617 0.867 0.699 CB 1.592 84 residues pruned to eliminate duplicates Z: 15 29.263 1.884 1.077 0.900 1.000 0.786 CB 1.427 15 residues pruned to eliminate duplicates Z: 14 22.754 1.953 0.730 0.842 1.000 0.923 CB 1.392 14 residues pruned to eliminate duplicates Z: 9 6.774 2.161 0.723 0.355 0.500 0.375 CA 1.504 9 residues pruned to eliminate duplicates Z: 17 22.480 2.146 0.528 0.848 0.938 0.812 CA 1.356 17 residues pruned to eliminate duplicates Z: 61 56.742 2.252 0.824 0.626 0.983 0.750 CB 1.612 61 residues pruned to eliminate duplicates Z: 10 8.054 1.796 -0.056 0.657 0.889 0.556 C 1.541 Z: 15 33.545 2.119 1.039 0.883 1.000 0.786 CB 1.501 15 residues pruned to eliminate duplicates Z: 22 31.026 2.073 0.871 0.847 0.905 0.571 CB 1.433 22 residues pruned to eliminate duplicates Z: 8 5.653 1.959 0.799 0.195 0.714 0.571 CA 1.222 Z: 13 22.097 1.981 0.822 0.885 1.000 0.833 CB 1.276 Z: 62 62.869 2.290 0.882 0.611 0.951 0.705 CA 1.767 62 residues pruned to eliminate duplicates Z: 15 26.080 2.140 0.871 0.833 0.929 0.643 CA 1.407 15 residues pruned to eliminate duplicates Z: 13 23.013 2.182 0.420 0.863 1.000 0.833 CA 1.573 13 residues pruned to eliminate duplicates Z: 15 32.611 2.063 0.900 0.911 1.000 0.857 CB 1.576 15 residues pruned to eliminate duplicates Z: 53 48.410 2.205 0.805 0.636 0.942 0.827 CB 1.575 53 residues pruned to eliminate duplicates Z: 125 86.844 2.290 0.938 0.576 0.935 0.677 CB 1.746 75 residues pruned to eliminate duplicates Z: 15 21.842 2.094 0.335 0.937 1.000 0.857 CB 1.452 15 residues pruned to eliminate duplicates Z: 58 57.728 2.276 0.798 0.636 0.982 0.789 CB 1.674 58 residues pruned to eliminate duplicates Z: 64 65.684 2.299 0.977 0.588 0.937 0.683 CB 1.787 64 residues pruned to eliminate duplicates Z: 27 46.305 2.303 1.129 0.744 1.000 0.808 CA 1.488 27 residues pruned to eliminate duplicates Z: 40 47.989 2.260 0.895 0.679 0.949 0.718 CB 1.605 40 residues pruned to eliminate duplicates Z: 12 12.764 1.732 0.629 0.834 0.909 0.636 CB 1.125 Z: 24 32.295 2.068 0.984 0.798 0.913 0.522 CB 1.384 24 residues pruned to eliminate duplicates Z: 15 27.889 2.118 0.673 0.889 1.000 0.571 CA 1.514 15 residues pruned to eliminate duplicates Z: 18 24.806 2.281 0.722 0.492 0.941 0.765 CB 1.641 18 residues pruned to eliminate duplicates Z: 63 55.286 2.240 0.795 0.610 0.968 0.710 CB 1.625 63 residues pruned to eliminate duplicates Z: 23 31.869 2.109 0.836 0.832 0.955 0.727 CB 1.380 23 residues pruned to eliminate duplicates Z: 14 35.895 2.209 0.950 0.936 1.000 0.846 CB 1.610 14 residues pruned to eliminate duplicates Z: 43 41.302 2.234 0.694 0.626 0.881 0.738 CA 1.699 43 residues pruned to eliminate duplicates Z: 67 59.561 2.242 0.914 0.576 0.939 0.621 CB 1.690 67 residues pruned to eliminate duplicates Z: 60 64.989 2.352 0.970 0.612 0.966 0.644 CB 1.700 60 residues pruned to eliminate duplicates Z: 18 18.836 2.074 0.435 0.752 0.765 0.588 CB 1.604 18 residues pruned to eliminate duplicates Z: 18 21.356 2.053 0.800 0.535 0.882 0.588 CB 1.536 18 residues pruned to eliminate duplicates Z: 17 25.846 1.961 0.710 0.915 1.000 0.875 CB 1.362 17 residues pruned to eliminate duplicates Z: 14 37.589 2.306 1.130 0.920 1.000 0.692 CA 1.495 14 residues pruned to eliminate duplicates Z: 62 65.371 2.318 0.941 0.598 0.984 0.738 CB 1.723 62 residues pruned to eliminate duplicates Z: 13 30.374 2.141 1.143 0.918 1.000 1.000 CB 1.348 13 residues pruned to eliminate duplicates Z: 12 20.688 1.928 1.162 0.694 0.909 0.909 CB 1.379 Z: 15 33.192 2.130 0.881 0.916 1.000 0.643 CB 1.564 15 residues pruned to eliminate duplicates Z: 61 53.004 2.249 0.769 0.611 0.967 0.733 CB 1.602 61 residues pruned to eliminate duplicates Z: 14 35.226 2.245 1.025 0.943 1.000 0.846 CA 1.489 14 residues pruned to eliminate duplicates Z: 28 37.034 2.257 1.118 0.535 0.889 0.667 CB 1.620 28 residues pruned to eliminate duplicates Z: 40 64.504 2.395 1.094 0.714 0.974 0.641 CA 1.740 40 residues pruned to eliminate duplicates Z: 15 24.301 2.286 0.540 0.805 0.857 0.571 CA 1.649 15 residues pruned to eliminate duplicates Z: 15 26.017 2.133 0.619 0.938 1.000 0.929 CB 1.400 15 residues pruned to eliminate duplicates Z: 14 26.417 2.154 0.819 0.843 0.923 0.615 CB 1.509 14 residues pruned to eliminate duplicates Z: 15 29.913 2.191 0.605 0.904 1.000 0.857 CB 1.619 15 residues pruned to eliminate duplicates Z: 10 17.712 2.045 0.763 0.710 0.889 0.556 CB 1.523 10 residues pruned to eliminate duplicates Z: 14 25.110 1.916 1.213 0.847 1.000 0.769 CA 1.220 14 residues pruned to eliminate duplicates Z: 14 27.449 2.088 0.800 0.889 0.923 0.923 CA 1.580 14 residues pruned to eliminate duplicates Z: 16 23.762 2.192 0.749 0.742 0.800 0.600 CA 1.612 16 residues pruned to eliminate duplicates Z: 16 31.042 2.330 0.649 0.742 0.933 0.600 CA 1.800 16 residues pruned to eliminate duplicates Z: 60 57.526 2.290 0.728 0.605 0.966 0.712 CA 1.772 60 residues pruned to eliminate duplicates Z: 41 50.489 2.266 0.863 0.707 0.975 0.750 CB 1.607 41 residues pruned to eliminate duplicates Z: 119 92.000 2.331 0.987 0.605 0.949 0.712 CB 1.743 119 residues pruned to eliminate duplicates Z: 65 63.682 2.332 0.968 0.591 0.938 0.734 CA 1.696 65 residues pruned to eliminate duplicates Z: 24 34.056 1.953 0.792 0.879 0.957 0.696 CB 1.539 24 residues pruned to eliminate duplicates Z: 49 44.212 2.117 1.202 0.609 0.854 0.625 CB 1.445 56 residues pruned to eliminate duplicates Z: 63 71.462 2.355 1.052 0.612 0.984 0.758 CB 1.717 63 residues pruned to eliminate duplicates Z: 6 6.840 1.816 0.252 0.794 1.000 0.600 CB 1.040 6 residues pruned to eliminate duplicates Z: 14 28.403 2.139 0.857 0.842 1.000 0.769 CB 1.478 14 residues pruned to eliminate duplicates Z: 10 16.773 2.003 0.736 0.806 1.000 0.444 CB 1.232 12 residues pruned to eliminate duplicates Z: 46 41.581 2.217 0.735 0.629 0.889 0.756 CB 1.605 46 residues pruned to eliminate duplicates Z: 14 30.881 2.099 0.948 0.881 1.000 0.769 CB 1.517 14 residues pruned to eliminate duplicates Z: 21 31.438 1.971 1.332 0.512 1.000 0.600 CB 1.511 21 residues pruned to eliminate duplicates Z: 15 25.302 1.868 0.987 0.877 1.000 0.714 CB 1.324 15 residues pruned to eliminate duplicates Z: 17 28.519 1.972 0.968 0.895 0.938 0.875 CB 1.405 17 residues pruned to eliminate duplicates Z: 14 31.389 2.217 0.765 0.925 1.000 0.692 CB 1.562 14 residues pruned to eliminate duplicates Z: 24 27.087 2.059 0.739 0.747 0.913 0.478 CB 1.386 24 residues pruned to eliminate duplicates Z: 7 9.946 1.974 1.089 0.421 0.833 0.833 CB 1.284 7 residues pruned to eliminate duplicates Z: 58 62.721 2.314 0.894 0.621 0.982 0.667 CA 1.721 58 residues pruned to eliminate duplicates Z: 45 34.960 1.983 0.980 0.639 0.864 0.523 CB 1.365 53 residues pruned to eliminate duplicates Z: 12 15.546 1.826 0.490 0.826 1.000 0.545 CB 1.299 12 residues pruned to eliminate duplicates Z: 72 57.375 2.203 0.828 0.558 0.958 0.535 CB 1.669 72 residues pruned to eliminate duplicates Z: 8 18.331 2.261 0.249 0.891 1.000 0.714 CB 1.764 Z: 20 29.373 2.222 0.942 0.644 0.842 0.474 CB 1.620 20 residues pruned to eliminate duplicates Z: 11 14.211 1.827 0.801 0.843 0.900 0.500 CB 1.130 11 residues pruned to eliminate duplicates Z: 31 45.933 2.243 1.138 0.582 0.967 0.800 CB 1.671 31 residues pruned to eliminate duplicates Z: 18 15.590 1.873 0.260 0.769 1.000 0.647 CB 1.262 18 residues pruned to eliminate duplicates Z: 37 39.978 2.028 1.034 0.668 0.917 0.667 CB 1.508 37 residues pruned to eliminate duplicates Z: 104 69.635 2.199 0.948 0.626 0.922 0.728 CB 1.542 104 residues pruned to eliminate duplicates Z: 14 23.666 1.910 0.877 0.872 1.000 0.846 CA 1.334 14 residues pruned to eliminate duplicates Z: 15 21.625 1.968 1.355 0.592 0.857 0.643 CB 1.333 15 residues pruned to eliminate duplicates Z: 24 22.046 2.050 0.568 0.458 0.913 0.522 CB 1.636 24 residues pruned to eliminate duplicates Z: 37 36.657 2.024 1.071 0.690 0.889 0.639 CB 1.377 37 residues pruned to eliminate duplicates Z: 15 23.938 2.153 0.344 0.921 1.000 0.643 CA 1.557 15 residues pruned to eliminate duplicates Z: 16 27.592 2.254 0.591 0.787 0.933 0.667 CA 1.653 16 residues pruned to eliminate duplicates Z: 17 19.655 2.049 0.255 0.778 1.000 0.625 CB 1.495 17 residues pruned to eliminate duplicates Z: 23 23.254 1.869 0.795 0.820 0.955 0.636 CB 1.173 23 residues pruned to eliminate duplicates Z: 10 17.217 2.063 0.742 0.853 0.889 0.778 CB 1.328 10 residues pruned to eliminate duplicates Z: 29 32.715 2.194 0.963 0.527 0.857 0.679 CA 1.630 29 residues pruned to eliminate duplicates Z: 15 16.992 2.053 1.013 0.380 0.786 0.357 CB 1.590 15 residues pruned to eliminate duplicates Z: 17 11.408 1.969 0.196 0.822 0.688 0.562 CA 1.333 17 residues pruned to eliminate duplicates Z: 51 56.241 2.307 1.000 0.621 0.960 0.700 CA 1.601 59 residues pruned to eliminate duplicates Z: 15 30.459 2.175 0.663 0.925 1.000 0.857 CB 1.579 15 residues pruned to eliminate duplicates Z: 47 50.624 2.270 0.826 0.605 0.935 0.652 CB 1.743 47 residues pruned to eliminate duplicates Z: 14 24.232 2.122 0.626 0.936 1.000 0.846 CB 1.356 14 residues pruned to eliminate duplicates Z: 14 26.995 2.153 0.508 0.936 1.000 1.000 CA 1.605 14 residues pruned to eliminate duplicates Z: 64 56.329 2.248 0.754 0.584 0.952 0.762 CB 1.744 64 residues pruned to eliminate duplicates Z: 15 30.962 2.289 0.798 0.897 1.000 0.714 CA 1.439 15 residues pruned to eliminate duplicates Z: 14 24.050 2.069 0.636 0.910 1.000 0.538 CB 1.397 14 residues pruned to eliminate duplicates Z: 22 40.910 2.130 1.022 0.842 0.952 0.667 CA 1.621 22 residues pruned to eliminate duplicates Z: 14 30.935 2.165 1.474 0.657 0.923 0.846 CB 1.500 14 residues pruned to eliminate duplicates Z: 12 9.158 1.865 0.521 0.348 0.818 0.455 CB 1.403 12 residues pruned to eliminate duplicates Z: 14 21.015 2.158 0.748 0.692 0.923 0.538 CB 1.404 14 residues pruned to eliminate duplicates Z: 7 24.585 2.280 1.138 0.900 1.000 0.667 CB 1.471 7 residues pruned to eliminate duplicates Z: 12 13.997 1.791 0.773 0.772 0.909 0.818 CB 1.149 12 residues pruned to eliminate duplicates Z: 50 46.502 2.209 0.802 0.591 0.918 0.694 CB 1.666 50 residues pruned to eliminate duplicates Z: 15 28.488 2.320 0.760 0.793 0.857 0.643 CB 1.683 15 residues pruned to eliminate duplicates Z: 15 30.940 2.246 0.950 0.931 0.929 0.857 CA 1.420 15 residues pruned to eliminate duplicates Z: 17 21.555 2.161 0.570 0.784 0.812 0.688 CA 1.523 17 residues pruned to eliminate duplicates Z: 15 18.690 2.194 0.129 0.855 1.000 0.643 CA 1.488 15 residues pruned to eliminate duplicates Z: 63 65.916 2.330 1.056 0.593 0.935 0.710 CB 1.709 63 residues pruned to eliminate duplicates Z: 10 33.430 2.049 1.621 0.784 1.000 0.889 C 1.616 10 residues pruned to eliminate duplicates Z: 16 27.447 2.350 0.663 0.703 0.867 0.467 CB 1.740 16 residues pruned to eliminate duplicates Z: 16 20.363 1.989 0.369 0.921 1.000 0.933 CB 1.359 16 residues pruned to eliminate duplicates Z: 65 61.493 2.265 0.911 0.579 0.938 0.688 CB 1.756 66 residues pruned to eliminate duplicates Z: 48 39.235 2.174 0.992 0.541 0.894 0.596 CB 1.420 48 residues pruned to eliminate duplicates Z: 13 22.407 2.089 0.622 0.793 0.917 0.750 CA 1.611 13 residues pruned to eliminate duplicates Z: 10 7.714 1.971 0.727 0.239 0.778 0.222 CB 1.314 10 residues pruned to eliminate duplicates Z: 11 14.504 1.981 0.340 0.892 1.000 0.800 CB 1.242 11 residues pruned to eliminate duplicates Z: 10 22.271 2.270 0.538 0.834 0.889 0.778 CB 1.794 10 residues pruned to eliminate duplicates Z: 61 54.339 2.244 0.820 0.620 0.967 0.750 CB 1.586 61 residues pruned to eliminate duplicates Z: 20 28.982 2.220 1.225 0.533 0.842 0.684 CB 1.547 20 residues pruned to eliminate duplicates Z: 16 20.844 2.050 0.335 0.930 1.000 0.933 CB 1.376 16 residues pruned to eliminate duplicates Z: 22 9.423 1.941 0.350 0.240 0.762 0.524 CB 1.392 22 residues pruned to eliminate duplicates Z: 53 50.513 2.205 0.975 0.569 0.923 0.654 CA 1.631 53 residues pruned to eliminate duplicates Z: 11 19.940 1.870 1.076 0.820 0.900 0.700 CB 1.368 11 residues pruned to eliminate duplicates Z: 11 23.329 1.915 1.195 0.645 1.000 0.700 CA 1.532 11 residues pruned to eliminate duplicates Z: 57 57.966 2.260 0.873 0.658 0.964 0.750 CB 1.639 57 residues pruned to eliminate duplicates Z: 58 55.498 2.237 0.885 0.638 0.982 0.737 CB 1.558 58 residues pruned to eliminate duplicates Z: 13 36.617 2.214 0.976 0.893 1.000 0.833 CB 1.734 13 residues pruned to eliminate duplicates Z: 14 37.059 2.169 1.179 0.854 0.923 0.769 CA 1.740 14 residues pruned to eliminate duplicates Z: 15 29.789 2.130 0.722 0.940 1.000 0.857 CA 1.508 15 residues pruned to eliminate duplicates Z: 23 31.411 1.991 0.843 0.870 0.909 0.682 CB 1.465 23 residues pruned to eliminate duplicates Z: 14 28.534 2.262 1.102 0.692 0.846 0.769 CA 1.650 14 residues pruned to eliminate duplicates Z: 66 51.995 2.223 0.802 0.597 0.908 0.662 CB 1.618 66 residues pruned to eliminate duplicates Z: 10 12.340 1.935 0.587 0.793 0.889 0.778 CB 1.165 Z: 14 33.405 2.196 0.908 0.880 1.000 0.692 CB 1.602 14 residues pruned to eliminate duplicates Z: 14 33.034 2.231 0.771 0.920 1.000 0.769 CB 1.633 14 residues pruned to eliminate duplicates Z: 63 63.854 2.305 0.964 0.592 0.968 0.629 CB 1.696 63 residues pruned to eliminate duplicates Z: 12 10.403 1.714 0.439 0.690 0.909 0.545 CB 1.176 16 residues pruned to eliminate duplicates Z: 25 30.079 2.076 0.955 0.607 0.875 0.417 CB 1.562 25 residues pruned to eliminate duplicates Z: 15 24.154 2.104 0.533 0.905 1.000 0.429 CB 1.424 15 residues pruned to eliminate duplicates Z: 57 47.522 2.168 0.894 0.592 0.929 0.625 CB 1.525 57 residues pruned to eliminate duplicates Z: 17 23.011 1.941 0.679 0.902 0.938 0.688 CB 1.343 17 residues pruned to eliminate duplicates Z: 33 41.628 2.150 1.039 0.645 0.938 0.594 CB 1.564 33 residues pruned to eliminate duplicates Z: 20 28.627 2.287 1.077 0.505 0.895 0.789 CB 1.537 20 residues pruned to eliminate duplicates Z: 9 11.441 1.907 0.335 0.828 0.875 0.625 CA 1.368 Z: 66 63.418 2.316 0.974 0.584 0.969 0.723 CB 1.637 66 residues pruned to eliminate duplicates Z: 16 23.175 1.989 0.458 0.924 1.000 0.867 CB 1.449 16 residues pruned to eliminate duplicates Z: 7 5.259 1.738 0.430 0.830 0.667 0.667 CA 0.974 7 residues pruned to eliminate duplicates Z: 15 29.541 2.287 0.887 0.891 1.000 0.857 CA 1.316 15 residues pruned to eliminate duplicates Z: 30 32.714 1.942 1.059 0.660 0.897 0.621 CB 1.460 30 residues pruned to eliminate duplicates Z: 11 18.808 1.853 1.158 0.685 0.900 0.700 CB 1.394 11 residues pruned to eliminate duplicates Z: 11 13.103 1.827 0.732 0.795 0.900 0.700 CB 1.123 10 residues pruned to eliminate duplicates Z: 15 32.921 2.252 1.002 0.921 1.000 0.857 CA 1.374 15 residues pruned to eliminate duplicates Z: 28 29.794 2.233 1.211 0.635 0.704 0.444 CB 1.454 28 residues pruned to eliminate duplicates Z: 13 16.308 1.957 1.258 0.663 0.750 0.667 CB 1.221 13 residues pruned to eliminate duplicates Z: 15 32.792 2.132 0.969 0.926 0.929 0.714 CA 1.577 15 residues pruned to eliminate duplicates Z: 65 62.222 2.327 1.002 0.592 0.891 0.672 CA 1.716 65 residues pruned to eliminate duplicates Z: 14 18.438 2.168 0.457 0.755 0.846 0.538 CB 1.525 9 residues pruned to eliminate duplicates Z: 79 68.242 2.334 0.867 0.591 0.962 0.769 CB 1.691 79 residues pruned to eliminate duplicates Z: 16 21.723 2.159 0.336 0.819 0.933 0.600 CA 1.580 16 residues pruned to eliminate duplicates Z: 12 19.106 1.916 0.588 0.893 1.000 1.000 CB 1.359 Z: 44 43.008 2.183 1.019 0.623 0.884 0.558 CB 1.499 42 residues pruned to eliminate duplicates Z: 13 19.124 1.900 1.370 0.655 0.833 0.750 CB 1.274 13 residues pruned to eliminate duplicates Z: 7 14.263 1.929 0.602 0.863 1.000 0.833 CA 1.382 7 residues pruned to eliminate duplicates Z: 23 30.351 2.096 1.002 0.771 0.864 0.591 CB 1.406 25 residues pruned to eliminate duplicates Z: 13 17.968 1.951 0.876 0.862 0.917 0.667 CB 1.135 14 residues pruned to eliminate duplicates Z: 15 35.232 2.082 1.048 0.904 1.000 0.857 CA 1.573 15 residues pruned to eliminate duplicates Z: 75 73.759 2.320 1.077 0.626 0.946 0.703 CB 1.671 136 residues pruned to eliminate duplicates Z: 66 63.007 2.327 0.907 0.592 0.954 0.692 CA 1.690 66 residues pruned to eliminate duplicates Z: 16 28.610 2.139 0.862 0.932 1.000 0.800 CA 1.295 16 residues pruned to eliminate duplicates Z: 63 53.849 2.252 0.754 0.557 0.968 0.661 CB 1.692 63 residues pruned to eliminate duplicates Z: 16 31.563 2.107 0.789 0.942 1.000 0.867 CA 1.499 16 residues pruned to eliminate duplicates Z: 11 12.695 1.939 0.515 0.817 0.800 0.500 CA 1.298 11 residues pruned to eliminate duplicates Z: 14 32.404 2.110 0.779 0.886 1.000 0.923 C 1.727 14 residues pruned to eliminate duplicates Z: 21 42.168 2.170 1.192 0.848 0.950 0.750 CB 1.548 21 residues pruned to eliminate duplicates Z: 18 15.979 1.838 0.421 0.730 0.941 0.529 CB 1.283 18 residues pruned to eliminate duplicates Z: 19 25.045 2.089 0.778 0.559 0.944 0.722 CB 1.590 19 residues pruned to eliminate duplicates Z: 13 35.871 2.254 1.393 0.733 0.917 0.667 CB 1.699 13 residues pruned to eliminate duplicates Z: 14 34.166 2.081 1.166 0.866 1.000 0.692 CB 1.539 14 residues pruned to eliminate duplicates Z: 14 27.060 1.896 1.061 0.872 1.000 0.615 CA 1.400 14 residues pruned to eliminate duplicates Z: 38 39.233 2.167 0.900 0.665 0.892 0.595 CB 1.508 38 residues pruned to eliminate duplicates Z: 37 45.082 2.291 1.101 0.622 0.972 0.778 CA 1.431 50 residues pruned to eliminate duplicates Z: 55 63.737 2.302 0.908 0.683 1.000 0.741 CB 1.669 65 residues pruned to eliminate duplicates Z: 12 13.681 1.742 0.594 0.763 1.000 0.636 CB 1.176 12 residues pruned to eliminate duplicates Z: 12 21.231 2.136 0.353 0.905 1.000 0.909 CA 1.577 12 residues pruned to eliminate duplicates Z: 13 29.790 2.055 1.086 0.905 1.000 0.917 CB 1.428 13 residues pruned to eliminate duplicates Z: 15 27.226 2.320 0.679 0.749 0.857 0.429 CA 1.744 15 residues pruned to eliminate duplicates Z: 20 14.665 1.819 0.787 0.549 0.947 0.526 CB 1.042 12 residues pruned to eliminate duplicates Z: 10 14.928 1.972 0.466 0.868 1.000 0.556 CB 1.258 10 residues pruned to eliminate duplicates Z: 11 23.580 1.942 1.577 0.787 1.000 0.900 CA 1.158 11 residues pruned to eliminate duplicates Z: 18 22.326 1.812 0.821 0.799 1.000 0.706 CB 1.263 11 residues pruned to eliminate duplicates Z: 7 2.764 1.581 0.243 0.360 0.667 0.500 O 1.002 Z: 12 14.077 1.854 0.650 0.792 0.909 0.727 CB 1.181 12 residues pruned to eliminate duplicates Z: 46 52.635 2.275 0.919 0.610 0.933 0.622 CB 1.734 46 residues pruned to eliminate duplicates Z: 15 36.075 2.294 1.248 0.735 0.929 0.714 CA 1.630 15 residues pruned to eliminate duplicates Z: 19 18.305 1.736 1.206 0.603 0.833 0.778 CB 1.226 19 residues pruned to eliminate duplicates Z: 111 86.396 2.310 0.924 0.633 0.982 0.755 CB 1.667 111 residues pruned to eliminate duplicates Z: 65 61.232 2.288 0.851 0.586 0.953 0.750 CA 1.746 66 residues pruned to eliminate duplicates Z: 20 23.751 2.164 1.088 0.448 0.895 0.684 CB 1.421 20 residues pruned to eliminate duplicates Z: 17 14.056 1.963 0.232 0.792 0.812 0.500 CA 1.384 17 residues pruned to eliminate duplicates Z: 46 40.462 2.173 0.713 0.631 0.911 0.733 CB 1.573 46 residues pruned to eliminate duplicates Z: 9 15.698 1.998 0.630 0.878 0.875 0.625 CB 1.413 9 residues pruned to eliminate duplicates Z: 16 15.339 1.944 0.389 0.728 0.867 0.600 CB 1.378 16 residues pruned to eliminate duplicates Z: 62 63.563 2.311 0.907 0.615 0.951 0.689 CB 1.743 62 residues pruned to eliminate duplicates Z: 51 64.092 2.306 0.972 0.729 1.000 0.760 CB 1.622 51 residues pruned to eliminate duplicates Z: 13 19.652 1.958 0.840 0.844 0.917 0.833 CB 1.278 13 residues pruned to eliminate duplicates Z: 10 9.747 1.741 0.512 0.530 0.889 0.667 N 1.348 10 residues pruned to eliminate duplicates Z: 55 62.479 2.289 0.925 0.687 0.981 0.815 CB 1.655 55 residues pruned to eliminate duplicates Z: 21 27.703 2.188 1.243 0.506 0.900 0.600 CB 1.394 21 residues pruned to eliminate duplicates Z: 17 20.057 1.943 0.382 0.895 1.000 0.938 CA 1.339 17 residues pruned to eliminate duplicates Z: 6 8.216 2.106 0.283 0.801 0.800 0.600 CA 1.307 6 residues pruned to eliminate duplicates Z: 12 11.028 1.678 0.507 0.833 0.909 0.636 CB 1.085 12 residues pruned to eliminate duplicates Z: 13 13.943 1.849 0.503 0.772 0.833 0.583 CA 1.366 13 residues pruned to eliminate duplicates Z: 16 25.790 2.200 0.864 0.475 1.000 0.733 CB 1.666 Z: 15 21.670 2.087 0.433 0.933 1.000 0.857 CB 1.351 15 residues pruned to eliminate duplicates Z: 16 27.856 1.994 0.791 0.909 1.000 0.867 CA 1.430 16 residues pruned to eliminate duplicates Z: 6 7.194 1.749 0.710 0.343 1.000 0.600 CB 1.275 6 residues pruned to eliminate duplicates Z: 13 20.095 1.934 0.811 0.819 1.000 0.833 CB 1.255 13 residues pruned to eliminate duplicates Z: 12 6.222 1.737 0.364 0.491 0.727 0.727 CB 1.099 Z: 11 4.435 1.558 -0.127 0.498 0.900 0.600 CB 1.148 Z: 11 8.806 2.060 0.780 0.305 0.600 0.400 CB 1.572 11 residues pruned to eliminate duplicates Z: 63 58.445 2.248 0.876 0.611 0.952 0.758 CB 1.664 63 residues pruned to eliminate duplicates Z: 9 6.078 1.897 -0.405 0.714 1.000 0.750 O 1.568 Z: 27 47.805 2.274 0.963 0.753 1.000 0.846 CB 1.676 27 residues pruned to eliminate duplicates Z: 18 10.642 1.866 0.783 0.440 0.706 0.529 CB 1.168 6 residues pruned to eliminate duplicates Z: 61 67.127 2.327 1.011 0.617 0.967 0.750 CB 1.714 61 residues pruned to eliminate duplicates Z: 13 22.680 2.162 0.480 0.866 0.917 0.583 CA 1.634 13 residues pruned to eliminate duplicates Z: 18 26.102 2.260 0.751 0.505 0.941 0.765 CB 1.691 18 residues pruned to eliminate duplicates Z: 14 22.491 1.858 0.884 0.876 1.000 0.385 CB 1.295 14 residues pruned to eliminate duplicates Z: 7 5.795 1.906 -0.312 0.718 1.000 0.833 O 1.482 Z: 11 12.214 1.734 0.470 0.821 1.000 0.500 CB 1.147 11 residues pruned to eliminate duplicates Z: 11 9.369 1.850 0.987 0.279 0.900 0.400 CB 1.150 7 residues pruned to eliminate duplicates Z: 55 62.748 2.308 0.859 0.687 0.981 0.759 CB 1.708 52 residues pruned to eliminate duplicates Z: 28 29.974 2.118 1.090 0.491 0.852 0.630 CB 1.543 58 residues pruned to eliminate duplicates Z: 13 20.093 2.054 0.675 0.522 1.000 0.750 CA 1.649 13 residues pruned to eliminate duplicates Z: 65 68.336 2.301 0.907 0.642 0.953 0.703 CB 1.789 69 residues pruned to eliminate duplicates Z: 12 18.003 2.122 0.596 0.695 0.909 0.636 CB 1.476 12 residues pruned to eliminate duplicates Z: 12 17.133 1.983 0.433 0.807 0.909 0.455 CA 1.530 12 residues pruned to eliminate duplicates Z: 67 56.885 2.243 0.924 0.603 0.939 0.758 CB 1.565 66 residues pruned to eliminate duplicates Z: 12 15.643 1.791 1.114 0.666 1.000 0.818 CB 1.069 Z: 8 5.633 1.582 1.043 0.351 0.571 0.429 N 1.354 Z: 12 18.935 2.060 0.971 0.415 0.909 0.545 CA 1.690 12 residues pruned to eliminate duplicates Z: 13 30.720 2.165 0.857 0.885 1.000 0.667 CB 1.593 13 residues pruned to eliminate duplicates Z: 6 9.016 1.447 0.871 0.818 1.000 1.000 N 1.130 Z: 10 5.193 1.759 0.621 0.245 0.667 0.333 CA 1.222 10 residues pruned to eliminate duplicates Z: 16 17.321 1.904 0.924 0.586 0.933 0.667 CA 1.205 16 residues pruned to eliminate duplicates Z: 17 20.188 1.980 0.510 0.813 0.875 0.625 CB 1.469 17 residues pruned to eliminate duplicates Z: 15 22.050 2.183 0.415 0.792 1.000 0.786 CB 1.477 15 residues pruned to eliminate duplicates Z: 16 29.093 2.122 0.730 0.929 0.933 0.733 CA 1.534 16 residues pruned to eliminate duplicates Z: 21 28.394 2.018 0.782 0.830 0.900 0.550 CB 1.475 Z: 14 36.389 2.211 0.958 0.947 1.000 1.000 CB 1.611 14 residues pruned to eliminate duplicates Z: 32 42.926 2.180 1.011 0.644 0.968 0.710 CB 1.589 32 residues pruned to eliminate duplicates Z: 34 46.643 2.298 0.878 0.569 1.000 0.667 CB 1.760 34 residues pruned to eliminate duplicates Z: 22 30.361 2.109 1.068 0.558 0.952 0.762 CB 1.507 17 residues pruned to eliminate duplicates Z: 63 55.145 2.244 0.773 0.610 0.952 0.758 CB 1.666 63 residues pruned to eliminate duplicates Z: 61 51.623 2.242 0.736 0.623 0.950 0.817 CB 1.605 61 residues pruned to eliminate duplicates Z: 7 8.217 1.936 -0.070 0.523 1.000 0.333 N 1.821 7 residues pruned to eliminate duplicates Z: 16 21.029 2.009 0.423 0.867 1.000 0.733 CB 1.390 16 residues pruned to eliminate duplicates Z: 11 19.234 1.930 1.101 0.730 0.900 0.600 CB 1.355 8 residues pruned to eliminate duplicates Z: 11 4.620 1.796 -0.311 0.657 0.900 0.900 CB 1.133 Z: 12 17.918 2.028 0.321 0.796 1.000 0.545 CB 1.555 12 residues pruned to eliminate duplicates Z: 15 26.489 2.083 0.804 0.928 1.000 0.643 CB 1.319 15 residues pruned to eliminate duplicates Z: 13 26.834 2.233 0.473 0.908 1.000 1.000 CB 1.672 13 residues pruned to eliminate duplicates Z: 15 19.952 2.041 0.501 0.907 0.857 0.714 CA 1.443 15 residues pruned to eliminate duplicates Z: 23 23.462 2.195 1.009 0.441 0.864 0.682 CA 1.396 23 residues pruned to eliminate duplicates Z: 15 21.914 2.219 0.387 0.823 0.929 0.714 CA 1.549 15 residues pruned to eliminate duplicates 8 1.926 1.358 0.194 0.215 0.571 0.429 CB 1.099 ? Z: 8 11.009 1.838 0.576 0.827 1.000 0.429 CB 1.083 8 residues pruned to eliminate duplicates Z: 13 26.118 2.016 1.043 0.892 1.000 0.750 CB 1.316 Z: 39 35.900 2.128 0.926 0.538 0.868 0.368 CB 1.576 39 residues pruned to eliminate duplicates Z: 9 4.838 1.551 0.422 0.412 0.750 0.500 N 1.134 9 residues pruned to eliminate duplicates Z: 12 13.760 1.982 0.339 0.776 0.818 0.636 CB 1.498 12 residues pruned to eliminate duplicates Z: 30 38.375 2.258 1.038 0.575 0.897 0.724 CB 1.606 35 residues pruned to eliminate duplicates Z: 23 26.438 2.040 0.798 0.703 0.909 0.500 CB 1.405 23 residues pruned to eliminate duplicates Z: 40 41.772 2.077 0.998 0.639 0.872 0.590 CA 1.623 27 residues pruned to eliminate duplicates Z: 57 53.320 2.249 0.835 0.620 0.964 0.643 CB 1.598 57 residues pruned to eliminate duplicates Z: 63 64.165 2.275 0.891 0.595 0.968 0.661 CB 1.788 63 residues pruned to eliminate duplicates Z: 11 9.941 1.630 0.520 0.791 0.800 0.500 CB 1.228 11 residues pruned to eliminate duplicates Z: 15 10.202 1.678 0.649 0.605 0.857 0.500 CB 1.040 15 residues pruned to eliminate duplicates Z: 56 56.939 2.297 0.729 0.675 0.982 0.745 CB 1.676 56 residues pruned to eliminate duplicates Z: 23 26.345 1.867 1.010 0.827 0.909 0.455 CB 1.240 23 residues pruned to eliminate duplicates Z: 7 5.621 1.770 -0.053 0.600 1.000 0.667 CB 1.244 7 residues pruned to eliminate duplicates Z: 18 27.520 2.103 0.921 0.550 1.000 0.765 CB 1.574 18 residues pruned to eliminate duplicates Z: 101 75.067 2.252 1.041 0.594 0.910 0.620 CB 1.641 101 residues pruned to eliminate duplicates Z: 56 57.789 2.261 0.901 0.605 0.982 0.745 CB 1.671 56 residues pruned to eliminate duplicates Z: 6 3.397 1.724 0.888 0.293 0.800 0.600 CB 0.735 6 residues pruned to eliminate duplicates Z: 56 57.910 2.213 0.947 0.641 0.927 0.764 CB 1.713 56 residues pruned to eliminate duplicates Z: 61 60.790 2.278 1.003 0.594 0.933 0.733 CB 1.686 61 residues pruned to eliminate duplicates Z: 86 59.263 2.123 0.904 0.633 0.941 0.659 CB 1.491 86 residues pruned to eliminate duplicates Z: 14 26.106 1.843 1.195 0.912 1.000 0.923 CA 1.268 14 residues pruned to eliminate duplicates Z: 25 28.362 2.194 1.314 0.611 0.708 0.458 CB 1.450 25 residues pruned to eliminate duplicates Z: 57 60.414 2.284 1.016 0.605 0.946 0.643 CB 1.677 57 residues pruned to eliminate duplicates Z: 15 20.176 2.005 0.497 0.752 1.000 0.571 CA 1.435 15 residues pruned to eliminate duplicates Z: 11 13.796 1.702 1.234 0.682 0.900 0.700 CB 1.079 11 residues pruned to eliminate duplicates Z: 15 17.379 2.097 0.556 0.742 0.857 0.571 CB 1.337 15 residues pruned to eliminate duplicates Z: 14 26.470 2.098 0.901 0.933 1.000 0.615 CB 1.284 14 residues pruned to eliminate duplicates Z: 152 99.843 2.297 1.027 0.601 0.940 0.669 CB 1.686 134 residues pruned to eliminate duplicates Z: 15 30.478 2.094 1.074 0.875 1.000 0.786 CB 1.364 Z: 7 3.913 1.676 -0.196 0.707 1.000 0.833 CB 0.981 Z: 16 5.140 1.817 0.716 0.228 0.533 0.467 CB 1.096 16 residues pruned to eliminate duplicates Z: 15 18.709 1.878 0.458 0.900 1.000 0.786 CA 1.303 15 residues pruned to eliminate duplicates Z: 10 8.847 1.747 0.315 0.887 0.778 0.778 CA 1.190 Z: 30 20.118 1.773 1.248 0.596 0.793 0.621 CB 1.079 29 residues pruned to eliminate duplicates Z: 35 36.507 2.048 0.981 0.692 0.882 0.588 CB 1.468 35 residues pruned to eliminate duplicates Z: 8 7.807 1.973 0.034 0.839 0.857 0.571 CB 1.261 8 residues pruned to eliminate duplicates Z: 6 2.313 1.379 0.095 0.299 0.800 0.600 CB 1.071 Z: 14 28.142 1.877 1.182 0.891 1.000 0.769 CA 1.369 14 residues pruned to eliminate duplicates Z: 6 4.210 1.819 -0.278 0.753 1.000 1.000 CB 1.144 6 residues pruned to eliminate duplicates Z: 105 80.894 2.301 0.908 0.648 0.952 0.740 CB 1.654 105 residues pruned to eliminate duplicates Z: 14 23.368 1.913 0.938 0.899 0.923 0.846 CA 1.354 14 residues pruned to eliminate duplicates Z: 22 30.215 2.251 1.132 0.499 0.810 0.667 CB 1.699 6 residues pruned to eliminate duplicates Z: 17 16.160 1.914 0.536 0.769 0.750 0.562 CA 1.444 17 residues pruned to eliminate duplicates Z: 21 21.855 1.851 0.746 0.872 0.900 0.750 CB 1.224 21 residues pruned to eliminate duplicates Z: 7 2.276 1.566 -0.177 0.361 0.833 0.333 CB 1.004 7 residues pruned to eliminate duplicates Z: 8 4.307 1.818 0.371 0.187 0.714 0.286 CB 1.331 Z: 14 17.038 2.095 1.059 0.440 0.846 0.692 CB 1.378 14 residues pruned to eliminate duplicates Z: 24 37.552 2.041 1.039 0.795 0.957 0.565 CB 1.519 24 residues pruned to eliminate duplicates Z: 24 28.256 1.942 0.901 0.797 0.913 0.696 CB 1.348 24 residues pruned to eliminate duplicates Z: 14 37.334 2.191 0.992 0.912 1.000 0.538 CB 1.681 14 residues pruned to eliminate duplicates Z: 9 10.964 1.802 0.478 0.759 0.875 0.750 CB 1.321 9 residues pruned to eliminate duplicates Z: 14 29.791 2.074 0.849 0.851 1.000 0.462 CB 1.595 14 residues pruned to eliminate duplicates Z: 11 27.399 1.986 1.176 0.785 1.000 0.800 CB 1.560 9 residues pruned to eliminate duplicates Z: 9 6.747 1.876 0.963 0.573 1.000 0.625 CB 0.604 Z: 13 18.738 1.968 0.690 0.891 0.917 0.750 CB 1.275 13 residues pruned to eliminate duplicates Z: 33 49.845 2.266 1.067 0.630 0.969 0.781 CB 1.719 33 residues pruned to eliminate duplicates Z: 15 25.020 2.062 0.904 0.918 0.929 0.571 CB 1.294 15 residues pruned to eliminate duplicates Z: 44 39.147 2.171 0.635 0.685 0.884 0.767 CA 1.606 44 residues pruned to eliminate duplicates Z: 16 26.769 2.084 0.723 0.787 1.000 0.667 CA 1.497 16 residues pruned to eliminate duplicates Z: 15 26.166 1.877 0.906 0.894 1.000 1.000 CB 1.402 15 residues pruned to eliminate duplicates Z: 23 29.402 2.087 1.064 0.606 0.864 0.409 CB 1.524 23 residues pruned to eliminate duplicates Z: 63 56.112 2.256 0.835 0.592 0.952 0.758 CB 1.657 63 residues pruned to eliminate duplicates Z: 15 15.603 2.124 0.329 0.767 0.857 0.500 CB 1.360 15 residues pruned to eliminate duplicates Z: 60 62.842 2.307 1.018 0.633 0.949 0.746 CB 1.635 60 residues pruned to eliminate duplicates Z: 14 21.639 1.924 0.978 0.889 0.923 0.846 CB 1.231 14 residues pruned to eliminate duplicates Z: 6 8.718 2.056 -0.186 0.841 1.000 0.600 O 1.738 7 residues pruned to eliminate duplicates Z: 7 17.628 2.203 0.922 0.579 0.833 0.500 CA 1.890 7 residues pruned to eliminate duplicates Z: 13 20.603 1.913 0.935 0.902 1.000 0.667 CB 1.146 13 residues pruned to eliminate duplicates Z: 15 14.668 2.071 0.152 0.833 0.857 0.571 CA 1.439 15 residues pruned to eliminate duplicates Z: 21 25.959 2.222 0.858 0.422 0.850 0.600 CB 1.795 Z: 13 26.518 2.007 1.128 0.841 1.000 0.500 CA 1.336 13 residues pruned to eliminate duplicates Z: 7 9.248 2.064 1.196 0.850 1.000 1.000 CB 0.617 Z: 9 22.363 1.937 0.875 0.876 1.000 0.875 CA 1.582 9 residues pruned to eliminate duplicates Z: 16 21.107 2.141 0.317 0.837 0.933 0.667 CA 1.549 16 residues pruned to eliminate duplicates Z: 9 8.323 1.925 0.054 0.780 1.000 0.500 N 1.133 9 residues pruned to eliminate duplicates Z: 17 17.348 2.005 0.222 0.818 0.938 0.562 CA 1.433 17 residues pruned to eliminate duplicates Z: 6 6.277 1.838 -0.276 0.776 1.000 0.600 C 1.654 Z: 8 6.940 1.671 0.444 0.693 0.714 0.714 N 1.276 Z: 64 59.666 2.326 0.859 0.573 0.952 0.683 CA 1.701 64 residues pruned to eliminate duplicates Z: 15 22.677 2.003 0.702 0.860 0.857 0.571 CB 1.525 15 residues pruned to eliminate duplicates Z: 14 38.055 2.206 1.058 0.909 1.000 0.846 CA 1.650 15 residues pruned to eliminate duplicates Z: 11 15.764 1.871 0.638 0.830 0.900 0.600 CA 1.359 11 residues pruned to eliminate duplicates Z: 50 52.480 2.270 0.865 0.628 0.980 0.673 CB 1.603 50 residues pruned to eliminate duplicates Z: 15 29.554 2.146 1.019 0.889 1.000 0.786 CA 1.312 15 residues pruned to eliminate duplicates Z: 9 19.054 2.228 0.663 0.767 0.875 0.625 CA 1.640 9 residues pruned to eliminate duplicates Z: 14 23.197 2.077 0.797 0.838 0.923 0.462 CB 1.395 14 residues pruned to eliminate duplicates Z: 12 16.017 1.789 0.836 0.815 1.000 0.727 CB 1.119 11 residues pruned to eliminate duplicates Z: 37 40.992 2.116 0.988 0.680 0.861 0.528 CA 1.598 37 residues pruned to eliminate duplicates Z: 7 9.829 1.799 1.364 0.825 1.000 0.833 CB 0.712 Z: 14 28.482 2.209 1.077 0.630 0.923 0.846 CA 1.650 14 residues pruned to eliminate duplicates Z: 12 5.655 1.589 0.226 0.477 0.818 0.636 CB 1.095 20 residues pruned to eliminate duplicates Z: 26 27.015 1.971 0.897 0.639 0.880 0.520 CA 1.442 26 residues pruned to eliminate duplicates Z: 30 22.907 1.910 1.186 0.611 0.793 0.552 CB 1.157 29 residues pruned to eliminate duplicates Z: 12 13.557 1.809 0.390 0.765 1.000 0.455 CB 1.285 12 residues pruned to eliminate duplicates Z: 11 22.322 2.170 0.756 0.775 0.900 0.500 CA 1.614 11 residues pruned to eliminate duplicates Z: 8 11.728 2.055 0.737 0.494 1.000 0.714 CA 1.249 8 residues pruned to eliminate duplicates Z: 7 12.178 1.814 1.554 0.449 1.000 0.500 CB 1.131 8 1.636 1.451 0.112 0.342 0.429 0.286 CB 1.061 ? Z: 7 6.310 1.791 -0.123 0.736 1.000 0.667 CB 1.327 Z: 6 2.424 1.428 0.554 0.292 0.600 0.600 CB 1.028 6 residues pruned to eliminate duplicates Z: 7 3.658 1.761 0.886 0.209 0.500 0.500 CB 1.268 7 residues pruned to eliminate duplicates Z: 22 38.819 2.322 0.890 0.670 0.952 0.571 CB 1.733 22 residues pruned to eliminate duplicates Z: 13 11.770 1.971 0.920 0.326 0.833 0.667 CB 1.304 13 residues pruned to eliminate duplicates Z: 13 29.518 2.093 0.922 0.900 1.000 0.833 CA 1.514 13 residues pruned to eliminate duplicates Z: 14 31.198 2.185 0.805 0.923 1.000 0.615 CB 1.542 14 residues pruned to eliminate duplicates Z: 33 41.905 2.124 1.173 0.654 0.906 0.781 CB 1.535 31 residues pruned to eliminate duplicates Z: 36 29.452 2.126 0.886 0.440 0.829 0.486 CB 1.594 36 residues pruned to eliminate duplicates Z: 6 2.561 1.279 0.309 0.415 0.800 0.400 CB 0.934 Z: 24 38.326 1.953 0.939 0.874 1.000 0.696 CB 1.536 24 residues pruned to eliminate duplicates Z: 35 30.978 1.927 0.980 0.612 0.853 0.559 CB 1.467 35 residues pruned to eliminate duplicates Z: 43 41.710 2.172 0.848 0.658 0.857 0.500 CB 1.616 43 residues pruned to eliminate duplicates Z: 12 10.169 1.632 0.411 0.796 0.909 0.636 CB 1.130 12 residues pruned to eliminate duplicates Z: 6 3.829 1.639 -0.003 0.567 1.000 0.800 CB 0.982 6 residues pruned to eliminate duplicates Z: 11 17.513 1.929 0.813 0.822 1.000 0.500 CB 1.198 Z: 22 30.895 2.094 0.878 0.834 0.905 0.333 CB 1.420 22 residues pruned to eliminate duplicates Z: 29 40.630 2.124 1.027 0.613 0.964 0.714 CB 1.662 29 residues pruned to eliminate duplicates Z: 40 44.314 2.106 1.031 0.620 0.897 0.538 CB 1.651 40 residues pruned to eliminate duplicates Z: 6 5.458 1.662 0.520 0.557 0.800 0.600 CA 1.143 6 residues pruned to eliminate duplicates Z: 18 38.236 2.379 1.249 0.651 0.824 0.706 CA 1.829 18 residues pruned to eliminate duplicates Z: 63 65.758 2.331 0.961 0.605 0.968 0.645 CB 1.709 63 residues pruned to eliminate duplicates Z: 39 50.659 2.222 0.805 0.694 1.000 0.658 CA 1.716 39 residues pruned to eliminate duplicates Z: 11 6.904 1.661 -0.070 0.578 1.000 0.600 O 1.311 11 residues pruned to eliminate duplicates Z: 40 45.799 2.268 0.999 0.600 0.923 0.744 CA 1.592 40 residues pruned to eliminate duplicates Z: 7 5.665 1.674 0.317 0.447 1.000 0.500 CB 1.108 7 residues pruned to eliminate duplicates Z: 39 27.384 1.936 0.921 0.624 0.816 0.658 CB 1.303 39 residues pruned to eliminate duplicates Z: 9 9.231 1.772 0.687 0.473 0.875 0.500 C 1.283 9 residues pruned to eliminate duplicates Z: 13 23.371 2.328 0.416 0.783 0.917 0.500 CA 1.740 13 residues pruned to eliminate duplicates Z: 40 29.162 1.901 0.919 0.658 0.897 0.718 CB 1.231 40 residues pruned to eliminate duplicates Z: 12 17.060 1.755 1.279 0.609 0.909 0.727 CB 1.275 13 residues pruned to eliminate duplicates Z: 27 22.408 1.813 0.586 0.628 1.000 0.500 CB 1.356 33 residues pruned to eliminate duplicates Z: 6 5.299 1.670 0.326 0.523 0.800 0.400 C 1.307 6 residues pruned to eliminate duplicates Z: 38 28.402 2.020 0.816 0.485 0.919 0.541 CB 1.406 38 residues pruned to eliminate duplicates Z: 27 29.907 2.071 1.120 0.563 0.846 0.462 CB 1.485 27 residues pruned to eliminate duplicates Z: 8 9.940 2.142 0.404 0.354 0.857 0.571 CA 1.706 8 residues pruned to eliminate duplicates Z: 29 44.141 2.326 1.033 0.567 0.964 0.750 CB 1.714 29 residues pruned to eliminate duplicates Z: 9 8.539 1.700 0.292 0.833 1.000 0.875 CB 1.031 9 residues pruned to eliminate duplicates Z: 61 64.674 2.313 1.033 0.628 0.950 0.750 CB 1.656 93 residues pruned to eliminate duplicates Z: 11 20.609 1.972 0.593 0.855 1.000 0.500 CA 1.531 11 residues pruned to eliminate duplicates Z: 6 2.094 1.492 0.203 0.346 0.800 0.400 N 0.771 6 residues pruned to eliminate duplicates Z: 9 18.486 1.727 1.246 0.836 1.000 0.750 CA 1.262 9 residues pruned to eliminate duplicates Z: 48 53.253 2.234 0.940 0.641 0.957 0.766 CB 1.640 48 residues pruned to eliminate duplicates Z: 21 34.314 2.351 1.001 0.583 0.950 0.750 CA 1.586 21 residues pruned to eliminate duplicates Z: 36 24.983 2.004 0.844 0.530 0.829 0.457 CB 1.339 36 residues pruned to eliminate duplicates Z: 40 47.481 2.300 0.981 0.595 0.923 0.821 CB 1.652 40 residues pruned to eliminate duplicates Z: 10 12.026 1.700 0.799 0.801 1.000 0.778 CB 1.007 10 residues pruned to eliminate duplicates Z: 8 6.671 1.810 0.840 0.668 1.000 0.571 CB 0.648 11 residues pruned to eliminate duplicates Z: 9 6.764 1.731 0.078 0.525 0.875 0.500 N 1.428 4 residues pruned to eliminate duplicates Z: 23 31.458 2.078 1.100 0.639 0.909 0.727 CB 1.484 23 residues pruned to eliminate duplicates Z: 29 21.972 1.893 0.705 0.629 0.821 0.500 CB 1.386 29 residues pruned to eliminate duplicates Z: 18 23.526 2.185 0.813 0.496 0.882 0.765 CB 1.638 18 residues pruned to eliminate duplicates Z: 62 57.593 2.209 0.787 0.621 0.967 0.787 CA 1.723 62 residues pruned to eliminate duplicates Z: 27 29.800 2.262 0.747 0.503 0.846 0.654 CB 1.743 27 residues pruned to eliminate duplicates Z: 8 8.048 1.531 1.414 0.386 0.857 0.714 CB 1.084 8 residues pruned to eliminate duplicates Z: 10 5.934 1.792 -0.255 0.682 0.889 0.667 C 1.411 10 residues pruned to eliminate duplicates Z: 15 24.741 1.871 0.929 0.905 1.000 0.786 CB 1.303 15 residues pruned to eliminate duplicates Z: 62 55.402 2.234 0.878 0.570 0.967 0.607 CB 1.634 62 residues pruned to eliminate duplicates Z: 10 9.195 1.932 0.405 0.489 0.889 0.556 CB 1.285 10 residues pruned to eliminate duplicates Z: 26 53.366 2.321 1.242 0.761 1.000 0.600 CB 1.627 Z: 70 52.674 2.227 0.807 0.535 0.942 0.667 CB 1.616 70 residues pruned to eliminate duplicates Z: 15 11.137 1.744 0.772 0.482 0.857 0.643 CB 1.145 15 residues pruned to eliminate duplicates Z: 20 25.880 2.130 0.877 0.422 1.000 0.632 CB 1.610 20 residues pruned to eliminate duplicates Z: 82 58.008 2.204 1.008 0.585 0.877 0.580 CB 1.531 82 residues pruned to eliminate duplicates Z: 34 35.425 2.097 1.099 0.590 0.939 0.545 CB 1.368 34 residues pruned to eliminate duplicates Z: 16 26.404 2.072 0.737 0.926 1.000 0.800 CB 1.328 16 residues pruned to eliminate duplicates Z: 11 7.618 1.802 0.532 0.412 0.800 0.500 CB 1.195 11 residues pruned to eliminate duplicates Z: 9 6.399 1.710 0.003 0.447 0.875 0.500 C 1.592 Z: 6 2.638 1.269 0.534 0.728 0.600 0.600 N 0.823 Z: 14 22.358 2.115 0.559 0.932 1.000 0.923 CB 1.312 14 residues pruned to eliminate duplicates Z: 8 3.900 1.704 -0.087 0.539 1.000 0.714 CB 0.912 8 residues pruned to eliminate duplicates Z: 9 7.260 1.865 0.745 0.231 0.750 0.375 CA 1.438 9 residues pruned to eliminate duplicates Z: 13 32.408 2.210 1.450 0.782 0.833 0.750 CB 1.617 14 residues pruned to eliminate duplicates Z: 10 5.077 1.567 0.179 0.337 0.889 0.556 O 1.231 Z: 7 4.014 1.833 0.403 0.373 0.500 0.500 O 1.460 Z: 30 41.583 2.297 0.814 0.566 0.966 0.793 CB 1.801 30 residues pruned to eliminate duplicates Z: 34 23.025 2.012 0.658 0.521 0.818 0.485 CB 1.439 34 residues pruned to eliminate duplicates Z: 10 14.907 1.769 0.869 0.679 1.000 0.556 CA 1.274 10 residues pruned to eliminate duplicates Z: 15 17.358 1.731 1.082 0.667 0.929 0.857 CB 1.188 15 residues pruned to eliminate duplicates Z: 7 2.528 1.502 0.635 0.143 0.667 0.333 CB 0.981 Z: 26 17.890 1.990 0.596 0.454 0.880 0.320 CB 1.342 26 residues pruned to eliminate duplicates Z: 49 58.578 2.278 0.959 0.702 1.000 0.750 CB 1.576 49 residues pruned to eliminate duplicates Z: 62 61.697 2.305 1.079 0.589 0.967 0.672 CB 1.565 73 residues pruned to eliminate duplicates Z: 10 13.749 2.045 0.548 0.781 0.778 0.444 CA 1.453 10 residues pruned to eliminate duplicates Z: 102 79.931 2.308 0.908 0.647 0.950 0.723 CB 1.656 102 residues pruned to eliminate duplicates Z: 6 3.563 1.351 -0.108 0.589 1.000 0.600 C 1.215 Z: 60 64.522 2.290 0.834 0.635 0.983 0.729 CA 1.793 60 residues pruned to eliminate duplicates Z: 15 27.079 2.066 0.897 0.897 1.000 0.857 CB 1.322 15 residues pruned to eliminate duplicates Z: 16 25.579 2.024 0.867 0.900 1.000 0.733 CB 1.248 16 residues pruned to eliminate duplicates Z: 6 3.031 1.775 0.119 0.451 1.000 0.600 CB 0.717 Z: 65 57.647 2.230 0.903 0.605 0.953 0.703 CB 1.611 65 residues pruned to eliminate duplicates Z: 16 30.376 2.088 0.791 0.949 1.000 0.667 CB 1.447 16 residues pruned to eliminate duplicates Z: 16 29.917 2.074 0.926 0.919 1.000 0.733 CB 1.363 16 residues pruned to eliminate duplicates Z: 58 61.317 2.302 0.935 0.648 0.965 0.737 CB 1.646 58 residues pruned to eliminate duplicates Z: 13 36.393 2.142 1.588 0.775 1.000 0.833 CB 1.487 13 residues pruned to eliminate duplicates Z: 16 25.420 2.167 0.667 0.894 1.000 0.800 CA 1.304 16 residues pruned to eliminate duplicates Z: 6 2.470 1.547 0.619 0.638 0.800 0.600 CB 0.484 7 1.640 1.408 0.951 0.233 0.500 0.333 CB 0.665 ? Z: 29 21.825 1.956 0.656 0.434 0.929 0.607 CB 1.469 29 residues pruned to eliminate duplicates Z: 10 5.886 1.764 -0.290 0.668 1.000 0.667 O 1.341 10 residues pruned to eliminate duplicates Z: 51 49.190 2.218 0.883 0.604 0.920 0.640 CB 1.640 51 residues pruned to eliminate duplicates Z: 14 22.654 2.000 0.892 0.936 1.000 0.462 CB 1.157 14 residues pruned to eliminate duplicates Z: 37 27.853 1.933 0.876 0.698 0.861 0.639 CB 1.241 37 residues pruned to eliminate duplicates Z: 11 14.394 2.058 0.851 0.387 0.900 0.700 CB 1.497 59 residues pruned to eliminate duplicates Z: 12 9.539 1.998 0.561 0.369 0.818 0.727 CB 1.296 12 residues pruned to eliminate duplicates Z: 6 4.596 1.782 -0.182 0.512 1.000 0.800 CB 1.392 Z: 8 6.691 1.747 0.815 0.598 0.714 0.714 CB 1.018 8 residues pruned to eliminate duplicates Z: 25 36.767 2.280 1.112 0.696 0.875 0.792 CB 1.489 25 residues pruned to eliminate duplicates Z: 43 54.763 2.280 1.145 0.618 0.976 0.762 CA 1.583 43 residues pruned to eliminate duplicates Z: 12 15.438 1.802 0.434 0.865 1.000 0.636 CB 1.319 12 residues pruned to eliminate duplicates Z: 27 39.244 2.244 1.033 0.586 0.923 0.808 CB 1.683 27 residues pruned to eliminate duplicates Z: 27 34.738 2.193 1.070 0.456 0.962 0.615 CB 1.633 27 residues pruned to eliminate duplicates 6 1.598 1.258 0.301 0.300 0.600 0.600 N 0.909 ? Z: 115 81.669 2.272 0.922 0.598 0.956 0.719 CB 1.668 115 residues pruned to eliminate duplicates Z: 38 49.640 2.268 0.874 0.709 1.000 0.784 CB 1.588 38 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 12 15.643 1.860 0.646 0.778 1.000 0.455 CB 1.206 12 residues pruned to eliminate duplicates Z: 13 15.487 1.879 0.613 0.760 0.917 0.500 CB 1.277 13 residues pruned to eliminate duplicates Z: 13 14.497 1.885 0.703 0.681 0.833 0.250 CB 1.325 13 residues pruned to eliminate duplicates Z: 12 11.501 1.824 0.636 0.723 0.818 0.545 CB 1.162 12 residues pruned to eliminate duplicates Z: 12 12.927 1.897 0.756 0.721 0.818 0.545 CB 1.171 12 residues pruned to eliminate duplicates Z: 14 13.604 1.890 0.552 0.606 0.846 0.462 CB 1.375 14 residues pruned to eliminate duplicates Z: 13 10.787 1.797 0.935 0.666 0.750 0.417 CB 1.024 13 residues pruned to eliminate duplicates Z: 11 17.630 1.981 0.869 0.749 0.900 0.500 CB 1.339 11 residues pruned to eliminate duplicates Z: 12 15.483 1.935 0.980 0.668 0.909 0.636 CB 1.148 12 residues pruned to eliminate duplicates Z: 22 23.088 1.926 0.930 0.802 0.857 0.524 CB 1.215 22 residues pruned to eliminate duplicates Z: 97 66.896 2.247 0.811 0.612 0.927 0.698 CB 1.628 97 residues pruned to eliminate duplicates Z: 69 62.249 2.285 0.901 0.599 0.971 0.765 CB 1.629 69 residues pruned to eliminate duplicates Z: 60 54.143 2.251 0.861 0.621 0.966 0.678 CB 1.553 60 residues pruned to eliminate duplicates Z: 61 63.071 2.283 0.946 0.634 0.983 0.700 CB 1.644 61 residues pruned to eliminate duplicates Z: 71 60.472 2.286 0.946 0.578 0.929 0.686 CB 1.623 71 residues pruned to eliminate duplicates Z: 70 60.511 2.262 0.984 0.587 0.928 0.739 CB 1.610 70 residues pruned to eliminate duplicates Z: 62 56.532 2.287 0.801 0.595 0.967 0.738 CB 1.659 62 residues pruned to eliminate duplicates Z: 61 60.258 2.285 0.925 0.618 0.950 0.683 CB 1.664 61 residues pruned to eliminate duplicates Z: 60 59.569 2.289 0.928 0.621 0.966 0.763 CB 1.622 60 residues pruned to eliminate duplicates Z: 57 59.540 2.272 0.911 0.667 0.982 0.804 CB 1.599 57 residues pruned to eliminate duplicates Z: 59 58.449 2.276 0.946 0.640 0.948 0.828 CB 1.603 59 residues pruned to eliminate duplicates Z: 65 59.731 2.234 0.959 0.608 0.938 0.656 CB 1.642 65 residues pruned to eliminate duplicates Z: 70 55.148 2.234 0.895 0.553 0.928 0.580 CB 1.606 70 residues pruned to eliminate duplicates Z: 71 61.630 2.277 0.942 0.575 0.943 0.700 CB 1.643 71 residues pruned to eliminate duplicates Z: 69 54.244 2.280 0.849 0.576 0.912 0.706 CB 1.591 69 residues pruned to eliminate duplicates Z: 57 59.497 2.281 0.899 0.652 1.000 0.821 CB 1.593 57 residues pruned to eliminate duplicates Z: 59 61.487 2.293 0.951 0.653 0.966 0.776 CB 1.622 59 residues pruned to eliminate duplicates Z: 61 59.620 2.278 0.942 0.620 0.967 0.717 CB 1.607 61 residues pruned to eliminate duplicates Z: 56 59.598 2.285 0.900 0.654 0.982 0.836 CB 1.633 56 residues pruned to eliminate duplicates Z: 56 59.586 2.291 0.866 0.667 1.000 0.764 CB 1.610 56 residues pruned to eliminate duplicates Z: 62 58.824 2.263 0.874 0.631 0.967 0.754 CB 1.624 62 residues pruned to eliminate duplicates Z: 62 60.188 2.288 0.968 0.605 0.951 0.705 CB 1.629 62 residues pruned to eliminate duplicates Z: 60 58.901 2.254 0.970 0.629 0.949 0.729 CB 1.611 60 residues pruned to eliminate duplicates Z: 102 65.178 2.209 0.894 0.576 0.941 0.663 CB 1.531 102 residues pruned to eliminate duplicates Z: 61 60.223 2.262 0.946 0.619 0.950 0.783 CB 1.661 61 residues pruned to eliminate duplicates Z: 71 56.428 2.235 0.993 0.558 0.929 0.729 CB 1.541 71 residues pruned to eliminate duplicates Z: 56 59.776 2.264 0.947 0.671 0.964 0.855 CB 1.621 56 residues pruned to eliminate duplicates Z: 79 54.776 2.189 0.838 0.590 0.910 0.744 CB 1.554 79 residues pruned to eliminate duplicates Z: 61 57.681 2.254 0.930 0.622 0.950 0.750 CB 1.606 61 residues pruned to eliminate duplicates Z: 75 55.616 2.213 0.911 0.564 0.932 0.703 CB 1.541 75 residues pruned to eliminate duplicates Z: 59 60.491 2.275 0.911 0.651 1.000 0.793 CB 1.588 59 residues pruned to eliminate duplicates Z: 61 59.882 2.263 0.996 0.630 0.950 0.717 CB 1.595 61 residues pruned to eliminate duplicates Z: 25 33.937 2.205 0.964 0.630 0.875 0.458 CB 1.618 25 residues pruned to eliminate duplicates Z: 26 35.836 2.211 0.856 0.651 0.920 0.600 CB 1.649 26 residues pruned to eliminate duplicates Z: 15 16.633 2.035 0.622 0.543 0.857 0.643 CB 1.506 15 residues pruned to eliminate duplicates Z: 41 33.806 2.112 0.832 0.610 0.850 0.600 CB 1.465 41 residues pruned to eliminate duplicates Z: 15 24.416 2.096 1.268 0.608 0.857 0.643 CB 1.445 15 residues pruned to eliminate duplicates Z: 14 30.242 2.169 1.143 0.714 0.846 0.692 CB 1.756 14 residues pruned to eliminate duplicates Z: 38 30.464 2.066 0.903 0.584 0.811 0.514 CB 1.449 38 residues pruned to eliminate duplicates Z: 37 37.564 2.166 0.962 0.686 0.778 0.444 CB 1.597 37 residues pruned to eliminate duplicates Z: 36 45.660 2.181 1.035 0.665 0.914 0.343 CB 1.632 36 residues pruned to eliminate duplicates Z: 25 38.992 2.245 1.023 0.673 0.875 0.625 CB 1.709 25 residues pruned to eliminate duplicates Z: 58 43.305 2.150 0.885 0.566 0.895 0.491 CB 1.485 58 residues pruned to eliminate duplicates Z: 40 42.099 2.153 0.919 0.668 0.897 0.615 CB 1.557 40 residues pruned to eliminate duplicates Z: 15 31.953 2.047 0.801 0.837 1.000 0.571 CA 1.732 15 residues pruned to eliminate duplicates Z: 35 41.561 2.218 0.959 0.703 0.882 0.529 CB 1.546 35 residues pruned to eliminate duplicates Z: 27 44.073 2.184 1.331 0.689 0.923 0.577 CB 1.547 27 residues pruned to eliminate duplicates Z: 102 70.640 2.238 0.820 0.637 0.950 0.723 CB 1.596 102 residues pruned to eliminate duplicates Z: 14 35.125 2.180 0.899 0.867 1.000 0.692 CB 1.722 14 residues pruned to eliminate duplicates Z: 49 42.122 2.136 0.968 0.539 0.854 0.479 CB 1.629 49 residues pruned to eliminate duplicates Z: 36 42.182 2.158 1.067 0.678 0.914 0.457 CB 1.483 36 residues pruned to eliminate duplicates Z: 28 38.347 2.161 1.041 0.634 0.926 0.593 CB 1.593 28 residues pruned to eliminate duplicates Z: 38 33.897 2.177 0.680 0.554 0.892 0.541 CA 1.621 38 residues pruned to eliminate duplicates Z: 29 31.837 2.118 0.885 0.638 0.893 0.536 CB 1.483 29 residues pruned to eliminate duplicates Z: 36 47.476 2.179 1.081 0.677 0.943 0.486 CB 1.594 36 residues pruned to eliminate duplicates Z: 41 34.124 2.094 0.800 0.612 0.850 0.425 CB 1.514 41 residues pruned to eliminate duplicates Z: 40 41.088 2.181 0.888 0.647 0.897 0.487 CB 1.552 40 residues pruned to eliminate duplicates Z: 47 38.984 2.151 0.743 0.558 0.891 0.413 CB 1.626 47 residues pruned to eliminate duplicates Z: 19 13.096 1.900 0.373 0.511 0.889 0.500 CB 1.317 19 residues pruned to eliminate duplicates Z: 34 32.643 2.131 0.715 0.593 0.909 0.394 CB 1.564 34 residues pruned to eliminate duplicates Z: 38 39.197 2.177 0.893 0.657 0.865 0.405 CB 1.563 38 residues pruned to eliminate duplicates Z: 38 44.307 2.106 1.076 0.665 0.919 0.595 CB 1.557 38 residues pruned to eliminate duplicates Z: 28 34.424 2.192 0.822 0.632 0.926 0.333 CA 1.581 28 residues pruned to eliminate duplicates Z: 13 12.267 1.997 0.346 0.658 0.833 0.750 CA 1.366 13 residues pruned to eliminate duplicates Z: 48 45.473 2.112 1.049 0.605 0.894 0.574 CB 1.552 48 residues pruned to eliminate duplicates Z: 12 6.243 1.401 0.525 0.443 1.000 0.364 CB 0.934 12 residues pruned to eliminate duplicates Z: 13 8.124 1.959 0.188 0.313 0.833 0.333 CA 1.487 13 residues pruned to eliminate duplicates Z: 11 5.548 1.910 0.507 0.283 0.600 0.500 CB 1.298 11 residues pruned to eliminate duplicates Z: 44 33.118 2.043 0.884 0.537 0.884 0.442 CB 1.431 43 residues pruned to eliminate duplicates Z: 6 6.369 1.698 0.801 0.602 0.800 0.600 CB 1.056 6 residues pruned to eliminate duplicates Z: 68 54.018 2.284 0.747 0.595 0.940 0.761 CB 1.606 68 residues pruned to eliminate duplicates Z: 63 58.398 2.293 0.841 0.585 0.968 0.710 CB 1.673 63 residues pruned to eliminate duplicates Z: 71 56.698 2.254 0.830 0.555 0.971 0.714 CB 1.602 71 residues pruned to eliminate duplicates Z: 62 55.302 2.319 0.829 0.599 0.918 0.721 CB 1.654 62 residues pruned to eliminate duplicates Z: 65 60.571 2.311 0.860 0.603 0.969 0.781 CB 1.649 65 residues pruned to eliminate duplicates Z: 62 52.781 2.269 0.726 0.609 0.951 0.705 CB 1.636 62 residues pruned to eliminate duplicates Z: 65 54.875 2.283 0.776 0.585 0.953 0.719 CB 1.636 65 residues pruned to eliminate duplicates Z: 56 59.912 2.278 0.905 0.664 1.000 0.764 CB 1.600 56 residues pruned to eliminate duplicates Z: 63 56.239 2.269 0.866 0.603 0.919 0.694 CB 1.663 63 residues pruned to eliminate duplicates Z: 62 57.824 2.272 0.898 0.594 0.967 0.721 CB 1.623 62 residues pruned to eliminate duplicates Z: 63 61.565 2.314 0.907 0.610 0.952 0.742 CB 1.677 63 residues pruned to eliminate duplicates Z: 80 62.663 2.232 0.860 0.617 0.962 0.797 CB 1.581 79 residues pruned to eliminate duplicates Z: 7 7.848 1.480 1.060 0.569 1.000 0.667 C 0.983 7 residues pruned to eliminate duplicates Z: 62 58.340 2.245 0.895 0.603 0.967 0.672 CB 1.646 62 residues pruned to eliminate duplicates Z: 55 59.936 2.289 0.857 0.686 1.000 0.759 CB 1.618 55 residues pruned to eliminate duplicates Z: 38 42.696 2.166 0.930 0.660 0.919 0.703 CB 1.576 38 residues pruned to eliminate duplicates Z: 80 58.021 2.233 0.843 0.594 0.937 0.684 CB 1.548 80 residues pruned to eliminate duplicates Z: 61 58.461 2.283 0.942 0.615 0.950 0.783 CB 1.607 61 residues pruned to eliminate duplicates Z: 58 61.248 2.308 0.884 0.645 0.982 0.719 CB 1.659 58 residues pruned to eliminate duplicates Z: 62 56.213 2.281 0.907 0.596 0.934 0.738 CB 1.615 62 residues pruned to eliminate duplicates Z: 69 59.195 2.273 0.823 0.606 0.956 0.721 CB 1.638 69 residues pruned to eliminate duplicates Z: 55 62.629 2.287 0.936 0.673 1.000 0.741 CB 1.642 55 residues pruned to eliminate duplicates Z: 50 43.661 2.173 0.866 0.604 0.918 0.653 CB 1.517 50 residues pruned to eliminate duplicates Z: 66 54.974 2.230 0.922 0.581 0.938 0.754 CB 1.569 66 residues pruned to eliminate duplicates Z: 71 50.352 2.219 0.775 0.534 0.943 0.600 CB 1.568 71 residues pruned to eliminate duplicates Z: 65 61.308 2.305 0.970 0.601 0.938 0.688 CB 1.634 65 residues pruned to eliminate duplicates Z: 121 85.673 2.311 0.910 0.621 0.950 0.742 CB 1.664 121 residues pruned to eliminate duplicates Z: 22 31.846 2.275 0.886 0.507 0.952 0.667 CB 1.689 22 residues pruned to eliminate duplicates Z: 81 72.573 2.300 1.044 0.566 0.938 0.625 CB 1.727 81 residues pruned to eliminate duplicates Z: 57 65.091 2.315 0.940 0.634 1.000 0.750 CB 1.708 57 residues pruned to eliminate duplicates Z: 63 70.664 2.331 1.071 0.593 0.968 0.790 CB 1.758 63 residues pruned to eliminate duplicates Z: 63 73.142 2.386 1.066 0.605 0.968 0.677 CB 1.762 63 residues pruned to eliminate duplicates Z: 63 70.335 2.298 1.035 0.602 0.984 0.645 CA 1.762 63 residues pruned to eliminate duplicates Z: 56 65.868 2.312 1.022 0.649 0.964 0.691 CB 1.716 56 residues pruned to eliminate duplicates Z: 66 64.019 2.292 0.997 0.562 0.969 0.723 CB 1.684 66 residues pruned to eliminate duplicates Z: 121 95.460 2.334 0.994 0.630 0.975 0.758 CB 1.700 121 residues pruned to eliminate duplicates Z: 105 77.104 2.265 1.015 0.597 0.913 0.625 CB 1.653 105 residues pruned to eliminate duplicates Z: 66 71.711 2.335 1.076 0.591 0.969 0.738 CB 1.735 66 residues pruned to eliminate duplicates Z: 70 62.510 2.302 0.930 0.549 0.942 0.667 CB 1.715 70 residues pruned to eliminate duplicates Z: 118 85.308 2.320 0.913 0.634 0.949 0.726 CB 1.652 118 residues pruned to eliminate duplicates Z: 129 87.869 2.313 0.897 0.607 0.945 0.773 CB 1.692 110 residues pruned to eliminate duplicates Z: 6 2.222 1.609 0.577 0.273 0.800 0.800 CB 0.633 6 residues pruned to eliminate duplicates Z: 9 17.851 2.116 1.230 0.461 0.875 0.500 CB 1.591 9 residues pruned to eliminate duplicates Z: 8 6.018 1.864 0.659 0.511 0.857 0.571 CA 0.848 8 residues pruned to eliminate duplicates Z: 9 11.547 2.026 1.036 0.336 0.750 0.500 CA 1.579 9 residues pruned to eliminate duplicates Z: 8 8.287 1.930 1.294 0.406 0.714 0.571 CA 1.093 8 residues pruned to eliminate duplicates Z: 66 56.455 2.266 0.708 0.598 0.985 0.738 CB 1.674 66 residues pruned to eliminate duplicates Z: 68 55.614 2.248 0.799 0.577 0.955 0.687 CB 1.634 67 residues pruned to eliminate duplicates Z: 6 3.315 1.542 0.479 0.201 0.800 0.000 CA 1.160 Z: 6 3.943 1.652 0.299 0.251 0.800 0.200 N 1.367 Z: 6 6.436 1.724 0.685 0.341 1.000 0.600 CA 1.178 6 residues pruned to eliminate duplicates Z: 63 51.615 2.237 0.747 0.578 0.935 0.726 CB 1.663 75 residues pruned to eliminate duplicates Z: 61 54.372 2.258 0.712 0.618 0.983 0.767 CB 1.652 61 residues pruned to eliminate duplicates Z: 61 52.940 2.253 0.732 0.591 0.967 0.717 CB 1.661 61 residues pruned to eliminate duplicates Z: 102 61.187 2.152 0.826 0.606 0.921 0.683 CB 1.521 103 residues pruned to eliminate duplicates Z: 18 25.660 2.010 0.649 0.780 1.000 0.882 CB 1.467 18 residues pruned to eliminate duplicates Z: 61 55.578 2.310 0.839 0.579 0.933 0.633 CB 1.677 61 residues pruned to eliminate duplicates Z: 66 57.687 2.267 0.840 0.593 0.969 0.692 CB 1.620 66 residues pruned to eliminate duplicates Z: 67 59.100 2.262 0.892 0.580 0.970 0.667 CB 1.622 67 residues pruned to eliminate duplicates Z: 62 58.374 2.248 0.917 0.600 0.967 0.656 CB 1.630 62 residues pruned to eliminate duplicates Z: 15 24.562 2.078 0.700 0.947 1.000 0.857 CB 1.284 15 residues pruned to eliminate duplicates Z: 64 54.071 2.232 0.820 0.577 0.952 0.603 CB 1.634 64 residues pruned to eliminate duplicates Z: 68 58.527 2.239 0.843 0.601 0.955 0.716 CB 1.646 68 residues pruned to eliminate duplicates Z: 69 58.851 2.229 0.900 0.569 0.985 0.632 CB 1.600 69 residues pruned to eliminate duplicates Z: 61 53.970 2.266 0.790 0.592 0.950 0.650 CB 1.655 61 residues pruned to eliminate duplicates Z: 66 60.638 2.282 0.881 0.578 0.969 0.692 CB 1.677 66 residues pruned to eliminate duplicates Z: 61 58.622 2.308 0.845 0.602 0.967 0.650 CB 1.669 61 residues pruned to eliminate duplicates Z: 51 42.779 2.131 0.787 0.602 0.920 0.540 CB 1.567 51 residues pruned to eliminate duplicates Z: 59 57.599 2.291 0.869 0.617 0.948 0.707 CB 1.668 59 residues pruned to eliminate duplicates Z: 57 57.666 2.270 0.880 0.637 0.982 0.696 CB 1.617 57 residues pruned to eliminate duplicates Z: 66 55.830 2.242 0.807 0.602 0.954 0.646 CB 1.626 66 residues pruned to eliminate duplicates Z: 58 55.405 2.262 0.802 0.617 0.982 0.702 CB 1.639 58 residues pruned to eliminate duplicates Z: 61 56.348 2.249 0.898 0.605 0.967 0.733 CB 1.596 61 residues pruned to eliminate duplicates Z: 66 60.583 2.284 0.870 0.579 0.985 0.677 CB 1.657 66 residues pruned to eliminate duplicates Z: 16 22.498 2.156 0.427 0.743 1.000 0.600 CA 1.519 16 residues pruned to eliminate duplicates Z: 52 43.755 2.170 0.775 0.566 0.961 0.686 CB 1.553 52 residues pruned to eliminate duplicates Z: 48 48.468 2.225 0.776 0.649 0.979 0.681 CB 1.591 48 residues pruned to eliminate duplicates Z: 62 57.002 2.274 0.896 0.586 0.951 0.721 CB 1.640 62 residues pruned to eliminate duplicates Z: 62 55.731 2.269 0.793 0.587 0.984 0.672 CB 1.640 62 residues pruned to eliminate duplicates Z: 65 54.728 2.253 0.804 0.568 0.969 0.750 CB 1.626 65 residues pruned to eliminate duplicates Z: 58 36.901 2.113 0.584 0.546 0.965 0.509 CB 1.447 68 residues pruned to eliminate duplicates Z: 58 57.169 2.253 0.869 0.632 0.965 0.649 CB 1.646 58 residues pruned to eliminate duplicates Z: 57 59.025 2.258 0.869 0.650 1.000 0.732 CB 1.625 57 residues pruned to eliminate duplicates Z: 18 22.361 2.189 0.416 0.696 0.941 0.647 CA 1.555 18 residues pruned to eliminate duplicates Z: 58 52.458 2.190 0.942 0.578 0.947 0.684 CB 1.600 58 residues pruned to eliminate duplicates Z: 116 86.383 2.319 0.927 0.609 0.957 0.687 CB 1.700 116 residues pruned to eliminate duplicates Z: 61 54.671 2.264 0.768 0.619 0.967 0.750 CB 1.631 61 residues pruned to eliminate duplicates Z: 61 57.681 2.269 0.818 0.614 0.983 0.767 CB 1.648 61 residues pruned to eliminate duplicates Z: 63 55.284 2.238 0.820 0.603 0.968 0.661 CB 1.615 63 residues pruned to eliminate duplicates Z: 62 55.975 2.266 0.877 0.600 0.967 0.738 CB 1.585 62 residues pruned to eliminate duplicates Z: 67 51.231 2.192 0.792 0.591 0.939 0.682 CB 1.566 67 residues pruned to eliminate duplicates Z: 61 55.613 2.254 0.811 0.614 1.000 0.733 CB 1.579 61 residues pruned to eliminate duplicates Z: 125 88.673 2.326 0.892 0.600 0.960 0.718 CB 1.713 125 residues pruned to eliminate duplicates Z: 6 14.792 2.230 0.851 0.510 1.000 0.200 CB 1.586 Z: 6 8.795 1.806 1.202 0.290 1.000 0.400 CA 1.252 6 residues pruned to eliminate duplicates Z: 60 57.854 2.274 0.863 0.624 0.966 0.712 CB 1.637 69 residues pruned to eliminate duplicates Z: 6 3.241 1.419 0.857 0.243 1.000 0.800 CB 0.740 6 residues pruned to eliminate duplicates Z: 9 6.410 1.998 0.416 0.256 0.750 0.375 CB 1.413 9 residues pruned to eliminate duplicates Z: 70 54.274 2.197 0.979 0.483 0.913 0.638 CB 1.675 70 residues pruned to eliminate duplicates Z: 67 61.451 2.277 0.849 0.593 0.970 0.697 CB 1.695 67 residues pruned to eliminate duplicates Z: 69 58.098 2.284 0.878 0.540 0.956 0.618 CB 1.653 69 residues pruned to eliminate duplicates Z: 121 92.593 2.343 0.930 0.626 0.975 0.783 CB 1.702 121 residues pruned to eliminate duplicates Z: 154 88.651 2.256 0.888 0.593 0.935 0.660 CB 1.647 154 residues pruned to eliminate duplicates Z: 66 64.720 2.326 0.904 0.586 0.969 0.692 CB 1.722 66 residues pruned to eliminate duplicates Z: 76 56.659 2.238 0.931 0.541 0.893 0.613 CB 1.628 76 residues pruned to eliminate duplicates Z: 59 62.535 2.325 0.842 0.621 0.966 0.690 CB 1.772 59 residues pruned to eliminate duplicates Z: 99 82.657 2.289 1.075 0.618 0.949 0.684 CB 1.656 99 residues pruned to eliminate duplicates Z: 55 64.368 2.340 0.848 0.639 1.000 0.667 CB 1.778 55 residues pruned to eliminate duplicates Z: 105 76.560 2.303 0.951 0.600 0.904 0.654 CB 1.681 105 residues pruned to eliminate duplicates Z: 68 63.724 2.303 0.928 0.584 0.940 0.746 CB 1.721 68 residues pruned to eliminate duplicates Z: 62 66.660 2.347 0.995 0.615 0.951 0.754 CB 1.720 62 residues pruned to eliminate duplicates Z: 58 68.294 2.369 0.922 0.640 0.982 0.737 CB 1.774 58 residues pruned to eliminate duplicates Z: 64 63.736 2.300 0.937 0.585 0.968 0.714 CB 1.715 64 residues pruned to eliminate duplicates Z: 96 61.487 2.237 0.900 0.527 0.926 0.611 CB 1.560 96 residues pruned to eliminate duplicates Z: 65 62.273 2.298 0.962 0.580 0.922 0.703 CB 1.734 65 residues pruned to eliminate duplicates Z: 140 92.315 2.327 0.916 0.605 0.942 0.691 CB 1.687 140 residues pruned to eliminate duplicates Z: 67 65.324 2.293 1.047 0.584 0.939 0.697 CB 1.682 67 residues pruned to eliminate duplicates Z: 75 74.520 2.352 1.064 0.617 0.932 0.662 CB 1.713 75 residues pruned to eliminate duplicates Z: 60 69.696 2.356 1.091 0.602 0.949 0.746 CB 1.761 60 residues pruned to eliminate duplicates Z: 63 67.045 2.361 0.935 0.585 0.968 0.726 CB 1.775 63 residues pruned to eliminate duplicates Z: 56 66.261 2.328 0.949 0.685 0.982 0.782 CB 1.692 56 residues pruned to eliminate duplicates Z: 62 66.073 2.339 0.993 0.567 0.967 0.656 CB 1.759 62 residues pruned to eliminate duplicates Z: 66 65.630 2.319 1.039 0.568 0.923 0.646 CB 1.746 66 residues pruned to eliminate duplicates Z: 73 75.489 2.321 1.088 0.612 0.958 0.653 CB 1.722 73 residues pruned to eliminate duplicates Z: 39 53.148 2.261 1.055 0.607 0.974 0.684 CB 1.722 39 residues pruned to eliminate duplicates Z: 122 87.005 2.305 0.894 0.615 0.959 0.653 CB 1.695 122 residues pruned to eliminate duplicates Z: 66 65.740 2.329 0.982 0.588 0.954 0.692 CB 1.702 66 residues pruned to eliminate duplicates Z: 124 87.834 2.342 0.925 0.596 0.943 0.683 CB 1.699 59 residues pruned to eliminate duplicates Z: 29 43.277 2.239 0.747 0.766 0.964 0.786 CB 1.713 29 residues pruned to eliminate duplicates Z: 63 64.667 2.313 1.023 0.582 0.952 0.677 CB 1.705 63 residues pruned to eliminate duplicates Z: 67 67.985 2.329 0.983 0.580 0.970 0.712 CB 1.730 66 residues pruned to eliminate duplicates Z: 15 23.188 2.294 0.474 0.761 0.857 0.571 CB 1.696 15 residues pruned to eliminate duplicates Z: 66 65.532 2.274 0.958 0.604 0.969 0.677 CB 1.706 66 residues pruned to eliminate duplicates Z: 65 66.929 2.343 0.980 0.579 0.938 0.703 CB 1.783 65 residues pruned to eliminate duplicates Z: 66 66.619 2.317 1.000 0.572 0.985 0.677 CB 1.689 66 residues pruned to eliminate duplicates Z: 61 69.616 2.347 0.973 0.604 0.983 0.633 CB 1.788 61 residues pruned to eliminate duplicates Z: 61 66.282 2.336 1.041 0.605 0.950 0.700 CB 1.710 62 residues pruned to eliminate duplicates Z: 15 30.835 2.338 0.739 0.746 0.929 0.429 CB 1.752 15 residues pruned to eliminate duplicates Z: 68 63.627 2.298 0.992 0.553 0.940 0.716 CB 1.716 68 residues pruned to eliminate duplicates Z: 103 80.600 2.289 1.035 0.610 0.922 0.637 CB 1.675 103 residues pruned to eliminate duplicates Z: 145 96.129 2.314 0.990 0.613 0.944 0.694 CB 1.654 130 residues pruned to eliminate duplicates Z: 7 6.373 1.655 1.098 0.440 0.833 0.500 CB 0.957 7 residues pruned to eliminate duplicates Z: 30 43.563 2.179 1.213 0.662 0.966 0.552 CB 1.496 15 residues pruned to eliminate duplicates Z: 6 5.920 1.875 0.838 0.284 0.800 0.800 CA 1.224 6 residues pruned to eliminate duplicates Z: 40 47.848 2.166 1.016 0.654 0.923 0.615 CB 1.648 32 residues pruned to eliminate duplicates Z: 6 8.759 1.816 1.100 0.424 0.800 0.400 CA 1.389 6 residues pruned to eliminate duplicates Z: 29 40.852 2.231 1.106 0.649 0.893 0.429 CB 1.602 29 residues pruned to eliminate duplicates Z: 40 43.004 2.172 0.942 0.622 0.897 0.513 CB 1.620 40 residues pruned to eliminate duplicates Z: 27 45.740 2.284 1.144 0.695 0.923 0.500 CB 1.661 27 residues pruned to eliminate duplicates Z: 10 11.355 2.112 0.912 0.369 0.778 0.333 CA 1.386 10 residues pruned to eliminate duplicates Z: 20 28.426 2.233 1.054 0.638 0.842 0.421 CB 1.483 20 residues pruned to eliminate duplicates Z: 27 46.677 2.300 1.107 0.672 0.962 0.462 CB 1.676 27 residues pruned to eliminate duplicates Z: 129 81.212 2.274 0.931 0.608 0.914 0.641 CB 1.613 129 residues pruned to eliminate duplicates Z: 39 40.207 2.148 0.935 0.634 0.895 0.526 CB 1.546 39 residues pruned to eliminate duplicates Z: 27 33.496 2.185 1.030 0.657 0.885 0.500 CB 1.447 27 residues pruned to eliminate duplicates Z: 36 43.761 2.245 0.918 0.667 0.886 0.514 CB 1.661 37 residues pruned to eliminate duplicates Z: 14 32.105 2.133 1.150 0.843 0.923 0.462 CB 1.566 14 residues pruned to eliminate duplicates Z: 26 37.178 2.264 1.106 0.711 0.880 0.640 CB 1.463 26 residues pruned to eliminate duplicates Z: 38 43.280 2.170 1.058 0.633 0.892 0.486 CB 1.576 36 residues pruned to eliminate duplicates Z: 15 32.154 2.117 0.959 0.815 1.000 0.571 CB 1.576 15 residues pruned to eliminate duplicates Z: 35 41.329 2.212 1.007 0.682 0.912 0.618 CB 1.482 38 residues pruned to eliminate duplicates Z: 15 30.121 2.028 0.977 0.847 0.929 0.786 CA 1.606 15 residues pruned to eliminate duplicates Z: 42 44.726 2.234 1.084 0.575 0.902 0.512 CB 1.547 35 residues pruned to eliminate duplicates Z: 24 38.174 2.103 0.997 0.761 0.957 0.652 CB 1.572 24 residues pruned to eliminate duplicates Z: 26 34.395 2.101 0.918 0.679 0.920 0.720 CB 1.573 26 residues pruned to eliminate duplicates Z: 11 21.407 2.091 0.882 0.670 0.900 0.400 CB 1.634 11 residues pruned to eliminate duplicates Z: 105 73.254 2.243 0.945 0.602 0.933 0.673 CB 1.601 105 residues pruned to eliminate duplicates Z: 18 21.469 2.025 1.031 0.487 0.941 0.529 CA 1.364 18 residues pruned to eliminate duplicates Z: 14 18.882 2.109 0.796 0.505 0.923 0.462 CA 1.490 14 residues pruned to eliminate duplicates Z: 12 19.359 2.047 0.850 0.639 0.909 0.455 CB 1.489 12 residues pruned to eliminate duplicates Z: 42 37.105 2.157 0.905 0.620 0.902 0.488 CB 1.396 42 residues pruned to eliminate duplicates Z: 29 33.575 2.162 1.060 0.677 0.821 0.571 CB 1.473 29 residues pruned to eliminate duplicates Z: 10 16.568 2.110 0.678 0.695 0.889 0.556 CB 1.468 10 residues pruned to eliminate duplicates Z: 41 46.386 2.195 1.066 0.616 0.950 0.525 CB 1.525 26 residues pruned to eliminate duplicates Z: 9 11.417 1.915 0.540 0.724 0.875 0.000 CA 1.277 9 residues pruned to eliminate duplicates Z: 96 75.870 2.310 0.970 0.598 0.937 0.589 CB 1.662 96 residues pruned to eliminate duplicates Z: 30 38.001 2.287 0.941 0.621 0.897 0.483 CB 1.581 30 residues pruned to eliminate duplicates Z: 20 16.535 2.109 0.790 0.482 0.789 0.368 CB 1.296 20 residues pruned to eliminate duplicates Z: 21 17.285 2.052 0.891 0.509 0.850 0.300 CB 1.161 21 residues pruned to eliminate duplicates Z: 10 16.772 2.206 0.603 0.653 0.889 0.556 CA 1.542 10 residues pruned to eliminate duplicates Z: 20 17.619 2.060 0.962 0.479 0.842 0.474 CB 1.212 20 residues pruned to eliminate duplicates Z: 14 12.063 1.992 0.715 0.495 0.769 0.385 CB 1.279 14 residues pruned to eliminate duplicates Z: 18 13.474 2.061 0.855 0.492 0.824 0.529 CB 1.046 18 residues pruned to eliminate duplicates Z: 22 14.331 2.014 0.872 0.434 0.762 0.381 CB 1.166 22 residues pruned to eliminate duplicates Z: 21 17.357 1.942 1.042 0.465 0.850 0.550 CB 1.193 21 residues pruned to eliminate duplicates Z: 76 67.572 2.280 1.002 0.606 0.933 0.627 CB 1.656 76 residues pruned to eliminate duplicates Z: 64 71.069 2.349 1.059 0.610 0.968 0.683 CB 1.722 64 residues pruned to eliminate duplicates Z: 66 64.888 2.358 0.963 0.586 0.938 0.708 CB 1.705 66 residues pruned to eliminate duplicates Z: 60 64.164 2.334 0.943 0.613 0.949 0.644 CA 1.743 60 residues pruned to eliminate duplicates Z: 49 55.421 2.269 0.959 0.628 0.938 0.646 CB 1.702 49 residues pruned to eliminate duplicates Z: 55 73.174 2.400 1.021 0.657 1.000 0.759 CB 1.774 55 residues pruned to eliminate duplicates Z: 64 64.011 2.314 1.088 0.550 0.937 0.635 CA 1.698 64 residues pruned to eliminate duplicates Z: 55 68.331 2.384 0.944 0.643 1.000 0.704 CB 1.755 55 residues pruned to eliminate duplicates Z: 56 64.361 2.353 0.956 0.627 0.982 0.727 CA 1.705 56 residues pruned to eliminate duplicates Z: 66 70.409 2.334 1.061 0.590 0.969 0.692 CA 1.719 66 residues pruned to eliminate duplicates Z: 64 64.994 2.324 0.968 0.582 0.952 0.746 CA 1.738 64 residues pruned to eliminate duplicates Z: 57 63.641 2.333 0.929 0.636 0.982 0.768 CB 1.693 57 residues pruned to eliminate duplicates Z: 55 70.967 2.394 1.041 0.654 0.981 0.648 CB 1.745 55 residues pruned to eliminate duplicates Z: 82 56.920 2.214 0.968 0.511 0.926 0.605 CB 1.551 82 residues pruned to eliminate duplicates Z: 66 65.548 2.344 0.993 0.583 0.954 0.631 CA 1.685 66 residues pruned to eliminate duplicates Z: 65 71.827 2.349 1.081 0.601 0.953 0.703 CB 1.750 65 residues pruned to eliminate duplicates Z: 31 28.980 2.167 0.722 0.449 0.933 0.500 CB 1.600 31 residues pruned to eliminate duplicates Z: 60 59.977 2.318 1.017 0.572 0.932 0.610 CA 1.671 60 residues pruned to eliminate duplicates Z: 54 59.783 2.315 1.010 0.597 0.943 0.604 CA 1.706 54 residues pruned to eliminate duplicates Z: 57 61.342 2.344 0.971 0.622 0.946 0.679 CB 1.672 57 residues pruned to eliminate duplicates Z: 57 54.852 2.298 0.985 0.564 0.893 0.607 CA 1.691 57 residues pruned to eliminate duplicates Z: 63 58.720 2.348 1.001 0.564 0.887 0.613 CA 1.682 63 residues pruned to eliminate duplicates Z: 63 58.136 2.277 0.791 0.568 0.952 0.645 CB 1.781 63 residues pruned to eliminate duplicates Z: 64 57.262 2.285 0.823 0.569 0.937 0.746 CB 1.730 64 residues pruned to eliminate duplicates Z: 64 62.196 2.302 0.860 0.577 0.968 0.698 CB 1.755 64 residues pruned to eliminate duplicates Z: 61 63.323 2.312 0.810 0.599 0.983 0.733 CB 1.807 61 residues pruned to eliminate duplicates Z: 60 61.330 2.280 0.912 0.597 0.949 0.712 CA 1.759 60 residues pruned to eliminate duplicates Z: 60 61.293 2.286 0.811 0.613 0.966 0.746 CA 1.792 60 residues pruned to eliminate duplicates Z: 64 63.380 2.296 0.829 0.598 0.984 0.667 CB 1.760 64 residues pruned to eliminate duplicates Z: 62 63.165 2.307 0.869 0.589 0.967 0.689 CA 1.780 62 residues pruned to eliminate duplicates Z: 63 60.525 2.270 0.836 0.590 0.968 0.677 CB 1.749 63 residues pruned to eliminate duplicates Z: 67 57.232 2.283 0.819 0.558 0.924 0.697 CA 1.735 67 residues pruned to eliminate duplicates Z: 105 67.740 2.148 0.933 0.600 0.952 0.673 CB 1.528 105 residues pruned to eliminate duplicates Z: 67 57.333 2.240 0.764 0.568 0.985 0.697 CB 1.697 67 residues pruned to eliminate duplicates Z: 114 84.825 2.331 0.860 0.608 0.938 0.708 CB 1.770 114 residues pruned to eliminate duplicates Z: 64 57.993 2.287 0.778 0.578 0.952 0.730 CA 1.750 64 residues pruned to eliminate duplicates Z: 66 58.276 2.256 0.794 0.574 0.938 0.631 CA 1.772 66 residues pruned to eliminate duplicates Z: 67 55.752 2.242 0.837 0.567 0.909 0.636 CA 1.717 67 residues pruned to eliminate duplicates Z: 65 59.175 2.277 0.813 0.563 0.953 0.594 CA 1.769 65 residues pruned to eliminate duplicates Z: 67 57.466 2.253 0.823 0.564 0.924 0.682 CB 1.752 67 residues pruned to eliminate duplicates Z: 62 62.624 2.297 0.887 0.590 0.984 0.689 CB 1.725 62 residues pruned to eliminate duplicates Z: 63 59.330 2.294 0.852 0.595 0.919 0.742 CB 1.761 63 residues pruned to eliminate duplicates Z: 70 60.394 2.267 0.899 0.560 0.957 0.652 CB 1.666 70 residues pruned to eliminate duplicates Z: 66 58.606 2.234 0.914 0.541 0.923 0.569 CA 1.768 66 residues pruned to eliminate duplicates Z: 65 60.392 2.252 0.850 0.568 0.953 0.625 CA 1.781 65 residues pruned to eliminate duplicates Z: 62 58.971 2.274 0.815 0.593 0.934 0.541 CB 1.790 62 residues pruned to eliminate duplicates Z: 64 61.351 2.268 0.812 0.594 0.968 0.619 CB 1.775 64 residues pruned to eliminate duplicates Z: 61 63.104 2.296 0.847 0.607 0.983 0.683 CA 1.764 61 residues pruned to eliminate duplicates Z: 61 60.414 2.262 0.817 0.612 0.967 0.683 CA 1.765 61 residues pruned to eliminate duplicates Z: 61 59.075 2.264 0.869 0.590 0.950 0.633 CA 1.741 61 residues pruned to eliminate duplicates Z: 111 76.380 2.251 0.883 0.579 0.955 0.627 CB 1.668 111 residues pruned to eliminate duplicates Z: 65 59.960 2.264 0.915 0.576 0.938 0.656 CA 1.714 65 residues pruned to eliminate duplicates Z: 140 91.210 2.291 1.021 0.565 0.928 0.655 CB 1.690 140 residues pruned to eliminate duplicates Z: 65 62.190 2.274 0.928 0.565 0.969 0.609 CA 1.720 65 residues pruned to eliminate duplicates Z: 59 66.382 2.285 0.937 0.628 0.966 0.707 CA 1.809 59 residues pruned to eliminate duplicates Z: 60 67.454 2.310 1.006 0.600 0.966 0.661 CA 1.784 60 residues pruned to eliminate duplicates Z: 100 80.153 2.315 0.985 0.607 0.960 0.636 CA 1.651 100 residues pruned to eliminate duplicates Z: 122 85.980 2.302 0.938 0.577 0.950 0.661 CA 1.711 122 residues pruned to eliminate duplicates Z: 61 65.956 2.303 0.962 0.595 0.967 0.700 CA 1.780 61 residues pruned to eliminate duplicates Z: 64 64.559 2.307 0.892 0.579 0.968 0.667 CB 1.784 65 residues pruned to eliminate duplicates Z: 17 20.035 1.968 0.638 0.693 0.938 0.562 CA 1.389 17 residues pruned to eliminate duplicates Z: 63 63.347 2.284 0.895 0.594 0.968 0.677 CA 1.756 63 residues pruned to eliminate duplicates Z: 62 65.555 2.304 0.921 0.610 0.951 0.721 CB 1.796 62 residues pruned to eliminate duplicates Z: 60 61.412 2.264 0.887 0.601 0.983 0.729 CA 1.729 60 residues pruned to eliminate duplicates Z: 65 57.376 2.251 0.817 0.561 0.969 0.656 CB 1.705 65 residues pruned to eliminate duplicates Z: 64 66.873 2.298 0.980 0.570 0.968 0.603 CB 1.787 64 residues pruned to eliminate duplicates Z: 65 55.199 2.273 0.784 0.582 0.922 0.688 CB 1.706 65 residues pruned to eliminate duplicates Z: 63 63.802 2.296 0.883 0.598 0.968 0.694 CA 1.763 63 residues pruned to eliminate duplicates Z: 66 65.935 2.283 0.957 0.576 0.969 0.692 CB 1.755 64 residues pruned to eliminate duplicates Z: 6 3.044 1.425 0.466 0.439 1.000 0.800 C 0.694 Z: 7 7.008 1.605 0.571 0.413 1.000 0.333 C 1.243 4 residues pruned to eliminate duplicates Z: 6 2.661 1.658 0.693 0.357 1.000 0.600 CB 0.495 Z: 8 8.647 1.934 0.982 0.365 0.857 0.286 CA 1.150 8 residues pruned to eliminate duplicates Z: 63 61.297 2.293 0.883 0.582 0.968 0.645 CB 1.721 78 residues pruned to eliminate duplicates Z: 105 69.438 2.171 0.997 0.615 0.904 0.663 CB 1.558 105 residues pruned to eliminate duplicates Z: 9 6.443 1.952 0.844 0.289 0.625 0.500 CB 1.283 9 residues pruned to eliminate duplicates Z: 70 57.668 2.265 0.899 0.552 0.899 0.623 CB 1.707 70 residues pruned to eliminate duplicates Z: 72 60.403 2.301 0.891 0.550 0.930 0.690 CA 1.689 72 residues pruned to eliminate duplicates Z: 11 8.287 1.829 0.455 0.522 0.800 0.400 CB 1.205 11 residues pruned to eliminate duplicates Z: 6 5.710 1.964 1.326 0.419 0.600 0.400 CB 1.013 6 residues pruned to eliminate duplicates Z: 6 8.572 2.223 0.637 0.363 0.800 0.400 CA 1.527 6 residues pruned to eliminate duplicates Z: 13 12.921 2.080 1.119 0.341 1.000 0.500 CB 1.007 13 residues pruned to eliminate duplicates Z: 10 9.629 1.880 0.842 0.321 0.889 0.556 CB 1.270 10 residues pruned to eliminate duplicates Z: 64 70.932 2.371 1.028 0.605 0.968 0.730 CA 1.737 64 residues pruned to eliminate duplicates Z: 66 63.481 2.334 0.890 0.590 0.954 0.769 CB 1.717 66 residues pruned to eliminate duplicates Z: 66 68.206 2.332 1.000 0.597 0.954 0.769 CA 1.732 66 residues pruned to eliminate duplicates Z: 65 68.410 2.347 0.963 0.600 0.969 0.703 CB 1.742 65 residues pruned to eliminate duplicates Z: 65 71.712 2.329 1.049 0.624 0.969 0.703 CA 1.725 65 residues pruned to eliminate duplicates Z: 66 63.065 2.338 0.847 0.602 0.969 0.662 CB 1.697 66 residues pruned to eliminate duplicates Z: 65 69.797 2.357 1.020 0.593 0.969 0.703 CA 1.731 65 residues pruned to eliminate duplicates Z: 62 61.531 2.338 0.929 0.593 0.951 0.656 CB 1.681 62 residues pruned to eliminate duplicates Z: 63 67.485 2.363 1.010 0.598 0.952 0.742 CA 1.728 63 residues pruned to eliminate duplicates Z: 63 69.360 2.367 1.100 0.609 0.952 0.710 CB 1.679 63 residues pruned to eliminate duplicates Z: 57 62.492 2.340 0.959 0.640 0.946 0.679 CA 1.688 57 residues pruned to eliminate duplicates Z: 73 58.075 2.292 0.938 0.549 0.917 0.653 CB 1.603 73 residues pruned to eliminate duplicates Z: 65 63.064 2.347 0.901 0.570 0.953 0.719 CA 1.732 65 residues pruned to eliminate duplicates Z: 69 63.817 2.325 0.974 0.555 0.941 0.632 CB 1.698 69 residues pruned to eliminate duplicates Z: 45 61.270 2.368 1.072 0.648 0.955 0.636 CA 1.718 45 residues pruned to eliminate duplicates Z: 66 62.431 2.322 0.937 0.584 0.954 0.631 CA 1.665 66 residues pruned to eliminate duplicates Z: 56 72.619 2.376 1.024 0.647 1.000 0.709 CB 1.775 56 residues pruned to eliminate duplicates Z: 55 70.274 2.391 1.022 0.664 0.963 0.722 CB 1.764 55 residues pruned to eliminate duplicates Z: 56 72.208 2.368 1.025 0.657 1.000 0.782 CB 1.755 56 residues pruned to eliminate duplicates Z: 62 63.703 2.311 0.962 0.585 1.000 0.623 CB 1.658 62 residues pruned to eliminate duplicates Z: 65 68.980 2.352 1.014 0.582 0.969 0.672 CA 1.736 65 residues pruned to eliminate duplicates Z: 65 70.223 2.353 1.043 0.609 0.969 0.703 CA 1.700 65 residues pruned to eliminate duplicates Z: 79 71.787 2.314 1.125 0.559 0.936 0.692 CB 1.667 79 residues pruned to eliminate duplicates Z: 99 81.945 2.302 1.090 0.597 0.949 0.592 CB 1.652 99 residues pruned to eliminate duplicates Z: 67 64.524 2.319 0.966 0.588 0.955 0.621 CB 1.677 67 residues pruned to eliminate duplicates Z: 63 66.441 2.247 1.023 0.621 0.968 0.645 CB 1.710 63 residues pruned to eliminate duplicates Z: 66 71.873 2.360 1.073 0.590 0.969 0.723 CA 1.725 66 residues pruned to eliminate duplicates Z: 61 67.798 2.316 1.008 0.607 0.967 0.700 CB 1.760 61 residues pruned to eliminate duplicates Z: 91 73.712 2.301 0.998 0.587 0.944 0.644 CB 1.646 91 residues pruned to eliminate duplicates Z: 87 78.994 2.314 1.101 0.620 0.942 0.709 CB 1.660 87 residues pruned to eliminate duplicates Z: 33 38.662 2.231 1.025 0.477 0.938 0.750 CB 1.651 33 residues pruned to eliminate duplicates Z: 31 49.771 2.255 1.369 0.675 0.933 0.633 CB 1.552 41 residues pruned to eliminate duplicates Z: 6 4.450 1.554 0.427 0.410 1.000 1.000 CA 0.986 6 residues pruned to eliminate duplicates Z: 42 46.706 2.252 1.155 0.626 0.854 0.537 CB 1.563 30 residues pruned to eliminate duplicates Z: 6 10.104 1.888 1.063 0.414 1.000 0.600 CA 1.269 6 residues pruned to eliminate duplicates Z: 21 33.268 2.209 1.143 0.555 0.950 0.750 CA 1.568 22 residues pruned to eliminate duplicates Z: 6 2.844 1.888 0.711 0.349 0.400 0.400 CA 1.159 6 residues pruned to eliminate duplicates Z: 31 39.709 2.256 1.181 0.640 0.867 0.633 CB 1.492 31 residues pruned to eliminate duplicates Z: 36 38.229 2.100 1.117 0.609 0.857 0.457 CB 1.529 36 residues pruned to eliminate duplicates Z: 32 40.699 2.205 1.092 0.652 0.935 0.516 CB 1.471 32 residues pruned to eliminate duplicates Z: 29 32.730 2.147 1.100 0.558 0.929 0.500 CB 1.397 29 residues pruned to eliminate duplicates Z: 31 25.612 2.019 0.883 0.501 0.833 0.467 CB 1.475 51 residues pruned to eliminate duplicates Z: 6 2.476 1.607 0.979 0.265 0.600 0.000 CA 0.758 6 residues pruned to eliminate duplicates Z: 101 75.191 2.290 1.017 0.604 0.940 0.630 CB 1.568 101 residues pruned to eliminate duplicates Z: 32 44.022 2.210 1.139 0.625 0.968 0.548 CB 1.536 32 residues pruned to eliminate duplicates Z: 41 41.091 2.174 1.055 0.583 0.900 0.575 CB 1.492 41 residues pruned to eliminate duplicates Z: 28 31.328 2.139 0.889 0.619 0.889 0.481 CB 1.500 28 residues pruned to eliminate duplicates Z: 41 43.535 2.216 1.073 0.605 0.900 0.575 CB 1.506 41 residues pruned to eliminate duplicates Z: 91 81.409 2.333 1.133 0.607 0.933 0.711 CB 1.669 91 residues pruned to eliminate duplicates Z: 90 85.661 2.348 1.138 0.611 0.944 0.652 CB 1.725 90 residues pruned to eliminate duplicates Z: 111 76.212 2.280 1.004 0.586 0.918 0.664 CB 1.596 111 residues pruned to eliminate duplicates Z: 13 31.654 2.259 1.291 0.785 0.917 0.667 CB 1.498 13 residues pruned to eliminate duplicates Z: 32 46.783 2.192 1.287 0.639 0.935 0.677 CB 1.574 32 residues pruned to eliminate duplicates Z: 33 39.436 2.172 1.117 0.612 0.906 0.562 CB 1.504 33 residues pruned to eliminate duplicates 480 residues left after pruning, divided into chains as follows: A: 103 B: 37 C: 125 D: 40 E: 9 F: 106 G: 60 CC for partial structure against native data = 40.36 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.451, Connect. = 0.724 for dens.mod. cycle 1 = 0.300, Contrast = 0.522, Connect. = 0.753 for dens.mod. cycle 2 = 0.300, Contrast = 0.615, Connect. = 0.783 for dens.mod. cycle 3 = 0.300, Contrast = 0.621, Connect. = 0.786 for dens.mod. cycle 4 = 0.300, Contrast = 0.630, Connect. = 0.790 for dens.mod. cycle 5 = 0.300, Contrast = 0.632, Connect. = 0.791 for dens.mod. cycle 6 = 0.300, Contrast = 0.635, Connect. = 0.793 for dens.mod. cycle 7 = 0.300, Contrast = 0.636, Connect. = 0.794 for dens.mod. cycle 8 = 0.300, Contrast = 0.637, Connect. = 0.795 for dens.mod. cycle 9 = 0.300, Contrast = 0.637, Connect. = 0.795 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 3.95 - 3.12 - 2.72 - 2.46 - 2.28 - 2.15 - 2.04 - 1.95 - 1.87 - 1.81 0.717 0.733 0.735 0.741 0.760 0.748 0.752 0.752 0.737 0.705 0.884 0.894 0.911 0.909 0.917 0.906 0.911 0.921 0.908 0.880 N 6476 6450 6400 6652 6502 6187 6481 6453 6806 5969 Estimated mean FOM = 0.738 Pseudo-free CC = 76.21 % Best trace (cycle 1 with CC 41.48%) was saved as ./1vqs-1.8-parrot-mrncs/1vqs-1.8-parrot-mrncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 3.4 - Setup, data input and phasing 45.2 - FFTs and peak-searches 35.2 - Sphere of influence 0.6 - Rest of density modification 0.0 - Alpha-helix search 1683.8 - Tripeptide search 14421.6 - Chain tracing 0.0 - NCS analysis 63.9 - B-value refinement for trace 0.8 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 01:35:40 Total time: 16254.67 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 272.24 Used memory is bytes: 12594616