null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 01:11:23 on 15 Sep 2019 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful. Command line parameters: ./1vqs-1.8-parrot-noncs/1vqs-1.8-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./1vqs-1.8-parrot-noncs/1vqs-1.8-parrot-noncs.ins Phases from ./1vqs-1.8-parrot-noncs/1vqs-1.8-parrot-noncs.phi Native data from ./1vqs-1.8-parrot-noncs/1vqs-1.8-parrot-noncs.hkl Listing output to ./1vqs-1.8-parrot-noncs/1vqs-1.8-parrot-noncs.lst Phases output to ./1vqs-1.8-parrot-noncs/1vqs-1.8-parrot-noncs.phs Poly-Ala trace output to ./1vqs-1.8-parrot-noncs/1vqs-1.8-parrot-noncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: I 4 2 2 Allowed origin shift code: 10 64376 Reflections read from file ./1vqs-1.8-parrot-noncs/1vqs-1.8-parrot-noncs.phi 64376 Reflections read from file ./1vqs-1.8-parrot-noncs/1vqs-1.8-parrot-noncs.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 = 0.349, Connect. = 0.731 for dens.mod. cycle 1 = 0.300, Contrast = 0.467, Connect. = 0.758 for dens.mod. cycle 2 = 0.300, Contrast = 0.559, Connect. = 0.780 for dens.mod. cycle 3 = 0.300, Contrast = 0.585, Connect. = 0.787 for dens.mod. cycle 4 = 0.300, Contrast = 0.598, Connect. = 0.791 for dens.mod. cycle 5 = 0.300, Contrast = 0.606, Connect. = 0.793 for dens.mod. cycle 6 = 0.300, Contrast = 0.612, Connect. = 0.795 for dens.mod. cycle 7 = 0.300, Contrast = 0.617, Connect. = 0.796 for dens.mod. cycle 8 = 0.300, Contrast = 0.620, Connect. = 0.797 for dens.mod. cycle 9 = 0.300, Contrast = 0.622, Connect. = 0.797 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4029 peaks > 0.5 sigma used to seed fragment search Space for about 746 unique residues taking solvent into account 837 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 66 63.651 2.222 1.011 0.595 0.969 0.738 CB 1.664 B: 131 87.372 2.220 1.016 0.610 0.954 0.731 CB 1.617 67 residues pruned to eliminate duplicates C: 14 28.301 2.071 0.929 0.891 0.923 0.846 CA 1.530 D: 65 57.630 2.158 0.978 0.585 0.938 0.750 CB 1.659 E: 13 29.349 2.251 1.082 0.860 1.000 0.667 CB 1.330 F: 12 25.317 2.128 1.424 0.684 0.909 0.909 CB 1.376 G: 58 61.183 2.275 1.004 0.634 0.965 0.737 CB 1.624 58 residues pruned to eliminate duplicates H: 66 65.331 2.266 1.028 0.603 0.969 0.723 CB 1.649 68 residues pruned to eliminate duplicates I: 17 28.263 2.161 0.727 0.790 0.938 0.500 CA 1.565 J: 14 30.170 2.044 1.054 0.906 1.000 0.923 CB 1.417 K: 66 60.772 2.225 0.951 0.667 0.938 0.785 CB 1.585 66 residues pruned to eliminate duplicates L: 64 64.720 2.290 1.028 0.630 0.952 0.762 CB 1.632 64 residues pruned to eliminate duplicates M: 62 52.756 2.166 0.777 0.593 0.984 0.689 CB 1.632 62 residues pruned to eliminate duplicates N: 12 28.594 2.148 0.849 0.895 1.000 0.909 CA 1.556 12 residues pruned to eliminate duplicates O: 21 29.034 2.078 1.087 0.581 0.900 0.650 CB 1.539 P: 61 55.774 2.202 1.047 0.595 0.950 0.733 CB 1.536 Q: 43 49.456 2.140 1.030 0.653 0.952 0.738 CB 1.600 47 residues pruned to eliminate duplicates R: 66 67.993 2.289 1.114 0.605 0.954 0.754 CB 1.653 17 residues pruned to eliminate duplicates S: 20 30.538 2.059 1.379 0.571 0.895 0.684 CB 1.493 21 residues pruned to eliminate duplicates T: 18 31.764 2.057 1.327 0.600 0.941 0.588 CB 1.555 18 residues pruned to eliminate duplicates U: 58 62.583 2.253 1.089 0.641 0.947 0.702 CB 1.629 58 residues pruned to eliminate duplicates V: 59 58.521 2.198 1.019 0.625 0.966 0.724 CB 1.594 59 residues pruned to eliminate duplicates W: 66 52.502 2.146 0.915 0.600 0.954 0.769 CB 1.511 62 residues pruned to eliminate duplicates X: 67 55.225 2.150 0.967 0.570 0.970 0.652 CB 1.549 67 residues pruned to eliminate duplicates Y: 61 70.717 2.311 1.198 0.615 0.967 0.733 CB 1.668 61 residues pruned to eliminate duplicates Z: 14 27.743 2.076 0.809 0.903 0.923 0.923 CA 1.582 14 residues pruned to eliminate duplicates Z: 104 65.157 2.129 1.037 0.604 0.903 0.680 CB 1.485 91 residues pruned to eliminate duplicates Z: 59 70.120 2.312 1.129 0.623 0.983 0.672 CB 1.695 59 residues pruned to eliminate duplicates Z: 60 62.494 2.216 1.028 0.656 0.983 0.831 CB 1.594 60 residues pruned to eliminate duplicates Z: 36 43.567 2.138 1.242 0.700 0.857 0.629 CB 1.494 14 residues pruned to eliminate duplicates Z: 34 40.397 2.127 1.049 0.546 0.970 0.606 CB 1.591 54 residues pruned to eliminate duplicates Z: 65 64.044 2.282 0.997 0.610 0.969 0.766 CB 1.633 65 residues pruned to eliminate duplicates Z: 16 20.870 2.079 0.490 0.811 0.867 0.600 CA 1.532 16 residues pruned to eliminate duplicates Z: 62 60.375 2.266 0.994 0.593 0.967 0.754 CB 1.618 62 residues pruned to eliminate duplicates Z: 94 61.392 2.144 0.787 0.609 0.968 0.699 CB 1.548 64 residues pruned to eliminate duplicates Z: 58 60.545 2.186 1.146 0.637 0.965 0.825 CB 1.557 58 residues pruned to eliminate duplicates Z: 63 60.188 2.264 0.994 0.595 0.952 0.758 CB 1.625 63 residues pruned to eliminate duplicates Z: 54 58.317 2.201 1.034 0.680 1.000 0.792 CB 1.516 55 residues pruned to eliminate duplicates Z: 18 25.430 1.881 1.046 0.867 0.882 0.706 CA 1.328 Z: 16 23.091 2.025 1.364 0.592 0.800 0.600 CB 1.426 16 residues pruned to eliminate duplicates Z: 12 36.831 2.154 1.413 0.927 1.000 1.000 CB 1.496 18 residues pruned to eliminate duplicates Z: 16 20.705 2.174 0.657 0.765 0.733 0.600 CA 1.600 16 residues pruned to eliminate duplicates Z: 11 23.402 1.962 1.471 0.682 0.900 0.800 C 1.435 11 residues pruned to eliminate duplicates Z: 44 50.873 2.200 0.901 0.676 0.977 0.721 CB 1.615 44 residues pruned to eliminate duplicates Z: 14 31.104 2.068 1.015 0.891 1.000 0.692 CB 1.489 14 residues pruned to eliminate duplicates Z: 15 26.505 2.207 0.970 0.623 0.929 0.786 CB 1.563 15 residues pruned to eliminate duplicates Z: 60 60.647 2.206 1.035 0.633 0.983 0.729 CB 1.580 45 residues pruned to eliminate duplicates Z: 64 61.661 2.296 0.947 0.607 0.937 0.762 CB 1.676 64 residues pruned to eliminate duplicates Z: 34 30.930 2.026 1.082 0.611 0.848 0.545 CB 1.354 34 residues pruned to eliminate duplicates Z: 16 22.854 2.151 0.495 0.837 0.933 0.667 CA 1.471 16 residues pruned to eliminate duplicates Z: 61 59.313 2.178 1.025 0.620 1.000 0.683 CB 1.550 61 residues pruned to eliminate duplicates Z: 56 69.488 2.331 1.049 0.667 0.982 0.764 CB 1.713 56 residues pruned to eliminate duplicates Z: 13 31.680 2.146 0.961 0.867 1.000 0.917 CB 1.590 12 residues pruned to eliminate duplicates Z: 16 32.099 1.961 1.168 0.873 1.000 0.800 CA 1.420 14 residues pruned to eliminate duplicates Z: 28 37.932 2.131 1.028 0.569 0.926 0.704 CA 1.708 28 residues pruned to eliminate duplicates Z: 15 30.312 1.887 1.258 0.867 0.929 0.857 CA 1.498 15 residues pruned to eliminate duplicates Z: 76 60.716 2.154 1.099 0.586 0.920 0.653 CB 1.553 60 residues pruned to eliminate duplicates Z: 68 67.548 2.286 1.113 0.589 0.970 0.716 CB 1.617 68 residues pruned to eliminate duplicates Z: 61 52.143 2.150 0.901 0.593 0.933 0.700 CB 1.614 61 residues pruned to eliminate duplicates Z: 45 37.626 2.056 1.066 0.574 0.886 0.500 CB 1.402 Z: 8 28.256 2.258 1.270 0.835 1.000 0.714 CB 1.560 Z: 66 58.324 2.147 1.024 0.564 0.954 0.692 CB 1.640 62 residues pruned to eliminate duplicates Z: 107 74.473 2.229 1.076 0.587 0.943 0.660 CB 1.524 87 residues pruned to eliminate duplicates Z: 17 27.619 2.131 0.921 0.812 0.875 0.562 CA 1.469 17 residues pruned to eliminate duplicates Z: 67 54.984 2.131 0.938 0.573 0.955 0.712 CB 1.600 66 residues pruned to eliminate duplicates Z: 17 20.558 2.069 1.272 0.352 0.812 0.562 CB 1.578 7 residues pruned to eliminate duplicates Z: 61 68.944 2.293 1.181 0.595 0.967 0.683 CB 1.681 61 residues pruned to eliminate duplicates Z: 118 90.240 2.243 1.110 0.644 0.957 0.744 CB 1.610 118 residues pruned to eliminate duplicates Z: 36 42.252 2.194 1.113 0.568 0.914 0.743 CB 1.577 41 residues pruned to eliminate duplicates Z: 16 17.035 2.073 0.217 0.786 0.933 0.667 CA 1.453 16 residues pruned to eliminate duplicates Z: 55 60.859 2.303 0.906 0.668 0.963 0.796 CB 1.677 55 residues pruned to eliminate duplicates Z: 15 18.485 2.023 0.866 0.621 0.786 0.500 CA 1.485 15 residues pruned to eliminate duplicates Z: 16 29.237 2.119 1.333 0.600 0.933 0.733 CB 1.487 17 residues pruned to eliminate duplicates Z: 61 54.411 2.195 0.878 0.621 0.967 0.750 CB 1.573 59 residues pruned to eliminate duplicates Z: 15 33.343 2.274 0.881 0.757 1.000 0.500 CA 1.657 15 residues pruned to eliminate duplicates Z: 13 29.219 1.997 1.449 0.816 0.917 0.667 CA 1.430 16 residues pruned to eliminate duplicates Z: 38 43.016 2.113 1.169 0.668 0.892 0.622 CB 1.481 38 residues pruned to eliminate duplicates Z: 42 37.915 2.073 0.869 0.638 0.927 0.707 CB 1.448 42 residues pruned to eliminate duplicates Z: 16 25.874 2.029 0.693 0.906 1.000 0.733 CB 1.384 16 residues pruned to eliminate duplicates Z: 7 6.020 1.876 1.036 0.420 0.667 0.500 CB 1.049 7 residues pruned to eliminate duplicates Z: 13 34.669 2.146 1.205 0.908 1.000 1.000 CB 1.501 13 residues pruned to eliminate duplicates Z: 16 22.728 2.115 0.521 0.785 0.933 0.667 CA 1.521 16 residues pruned to eliminate duplicates Z: 64 70.362 2.307 1.082 0.604 0.984 0.698 CB 1.699 64 residues pruned to eliminate duplicates Z: 10 6.671 1.866 1.288 0.295 0.556 0.333 CB 1.179 6 residues pruned to eliminate duplicates Z: 13 31.758 2.181 1.230 0.867 1.000 0.750 CB 1.379 13 residues pruned to eliminate duplicates Z: 11 17.251 2.162 0.323 0.840 1.000 0.800 CA 1.423 11 residues pruned to eliminate duplicates Z: 36 40.324 2.118 1.192 0.613 0.857 0.543 CB 1.539 27 residues pruned to eliminate duplicates Z: 13 36.785 2.158 1.379 0.885 1.000 0.667 CB 1.494 13 residues pruned to eliminate duplicates Z: 17 23.798 2.066 0.472 0.786 1.000 0.625 CA 1.520 17 residues pruned to eliminate duplicates Z: 17 30.203 2.187 0.835 0.543 1.000 0.625 CA 1.804 17 residues pruned to eliminate duplicates Z: 45 36.382 2.087 1.083 0.554 0.841 0.614 CB 1.423 45 residues pruned to eliminate duplicates Z: 61 58.343 2.156 1.036 0.609 0.950 0.750 CB 1.628 61 residues pruned to eliminate duplicates Z: 65 66.813 2.288 1.121 0.574 0.953 0.750 CB 1.680 65 residues pruned to eliminate duplicates Z: 13 40.193 2.108 1.765 0.740 1.000 1.000 CA 1.605 13 residues pruned to eliminate duplicates Z: 65 58.659 2.232 0.882 0.596 0.969 0.719 CB 1.644 60 residues pruned to eliminate duplicates Z: 67 58.632 2.186 0.939 0.596 0.955 0.697 CB 1.627 67 residues pruned to eliminate duplicates Z: 63 52.407 2.181 0.976 0.594 0.935 0.710 CB 1.508 64 residues pruned to eliminate duplicates Z: 57 55.879 2.177 0.990 0.659 1.000 0.804 CB 1.488 57 residues pruned to eliminate duplicates Z: 16 27.916 2.283 0.908 0.541 0.933 0.800 CB 1.702 16 residues pruned to eliminate duplicates Z: 13 33.724 2.112 1.151 0.888 1.000 0.667 CA 1.544 13 residues pruned to eliminate duplicates Z: 46 43.725 2.116 1.203 0.591 0.867 0.600 CB 1.480 46 residues pruned to eliminate duplicates Z: 57 53.985 2.223 0.889 0.649 0.964 0.821 CB 1.551 57 residues pruned to eliminate duplicates Z: 64 51.336 2.136 1.065 0.597 0.921 0.714 CB 1.451 64 residues pruned to eliminate duplicates Z: 26 45.156 2.152 1.448 0.717 0.880 0.560 CB 1.600 26 residues pruned to eliminate duplicates Z: 56 57.679 2.183 1.019 0.662 1.000 0.782 CB 1.519 55 residues pruned to eliminate duplicates Z: 35 32.852 2.064 1.007 0.599 0.882 0.412 CB 1.402 32 residues pruned to eliminate duplicates Z: 13 29.642 2.121 1.036 0.888 1.000 0.917 CB 1.428 13 residues pruned to eliminate duplicates Z: 63 58.455 2.187 1.021 0.597 0.968 0.758 CB 1.582 63 residues pruned to eliminate duplicates Z: 27 39.096 2.132 1.315 0.693 0.885 0.577 CB 1.471 27 residues pruned to eliminate duplicates Z: 15 28.686 2.069 0.799 0.934 1.000 0.643 CA 1.437 15 residues pruned to eliminate duplicates Z: 17 20.001 1.942 0.379 0.898 1.000 0.875 CA 1.336 17 residues pruned to eliminate duplicates Z: 64 54.076 2.181 0.900 0.585 0.968 0.667 CB 1.565 64 residues pruned to eliminate duplicates Z: 11 6.899 1.577 0.302 0.426 0.900 0.500 CA 1.274 11 residues pruned to eliminate duplicates Z: 61 60.321 2.258 0.944 0.608 0.967 0.700 CB 1.656 61 residues pruned to eliminate duplicates Z: 28 31.349 2.094 1.207 0.507 0.852 0.556 CB 1.521 14 residues pruned to eliminate duplicates Z: 68 59.273 2.222 1.050 0.580 0.955 0.716 CB 1.542 134 residues pruned to eliminate duplicates Z: 9 19.089 1.920 0.812 0.802 1.000 0.500 CB 1.490 9 residues pruned to eliminate duplicates Z: 16 22.230 1.952 0.598 0.885 1.000 0.733 CA 1.329 16 residues pruned to eliminate duplicates Z: 15 32.820 2.330 0.893 0.786 0.929 0.643 CA 1.665 15 residues pruned to eliminate duplicates Z: 12 12.476 1.770 0.602 0.817 0.909 0.636 CB 1.109 11 residues pruned to eliminate duplicates Z: 20 23.024 1.970 1.003 0.504 0.947 0.632 CB 1.407 20 residues pruned to eliminate duplicates Z: 63 54.318 2.151 0.955 0.592 0.919 0.661 CB 1.634 63 residues pruned to eliminate duplicates Z: 61 58.750 2.282 0.899 0.584 0.983 0.783 CB 1.642 61 residues pruned to eliminate duplicates Z: 11 26.564 2.096 1.211 0.741 1.000 0.900 CB 1.461 11 residues pruned to eliminate duplicates Z: 16 27.488 2.031 1.369 0.594 0.867 0.800 CA 1.556 16 residues pruned to eliminate duplicates Z: 13 28.408 2.096 0.851 0.921 1.000 0.917 CB 1.488 13 residues pruned to eliminate duplicates Z: 58 52.897 2.145 0.906 0.645 0.982 0.789 CB 1.524 58 residues pruned to eliminate duplicates Z: 65 54.227 2.184 0.901 0.586 0.969 0.719 CB 1.552 65 residues pruned to eliminate duplicates Z: 18 17.985 1.969 0.412 0.733 0.941 0.647 CA 1.352 18 residues pruned to eliminate duplicates Z: 13 32.202 2.224 1.089 0.852 1.000 0.833 CB 1.481 13 residues pruned to eliminate duplicates Z: 63 52.977 2.175 0.974 0.604 0.919 0.661 CB 1.544 63 residues pruned to eliminate duplicates Z: 15 12.847 1.906 0.933 0.350 0.929 0.714 CB 1.181 15 residues pruned to eliminate duplicates Z: 56 67.151 2.297 1.130 0.634 0.982 0.655 CB 1.663 56 residues pruned to eliminate duplicates Z: 6 14.864 2.016 0.656 0.794 1.000 0.800 CB 1.539 6 residues pruned to eliminate duplicates Z: 15 36.300 2.048 1.311 0.898 1.000 0.714 CB 1.465 15 residues pruned to eliminate duplicates Z: 15 25.448 2.106 1.431 0.649 0.857 0.643 CB 1.349 15 residues pruned to eliminate duplicates Z: 73 61.708 2.218 1.078 0.542 0.944 0.681 CB 1.603 120 residues pruned to eliminate duplicates Z: 15 28.035 2.079 0.791 0.941 1.000 0.857 CB 1.396 15 residues pruned to eliminate duplicates Z: 14 36.702 2.064 1.253 0.902 1.000 0.846 CA 1.561 14 residues pruned to eliminate duplicates Z: 13 18.913 1.992 0.610 0.780 0.833 0.417 CB 1.597 13 residues pruned to eliminate duplicates Z: 122 86.925 2.233 1.056 0.585 0.959 0.727 CB 1.655 65 residues pruned to eliminate duplicates Z: 64 55.813 2.205 0.959 0.610 0.952 0.794 CB 1.540 64 residues pruned to eliminate duplicates Z: 15 30.176 2.013 1.212 0.881 0.857 0.714 CB 1.530 15 residues pruned to eliminate duplicates Z: 37 32.490 1.971 0.967 0.671 0.861 0.639 CB 1.385 37 residues pruned to eliminate duplicates Z: 14 33.817 2.081 1.058 0.885 1.000 0.692 CA 1.582 14 residues pruned to eliminate duplicates Z: 14 32.296 2.298 0.707 0.803 1.000 0.692 CA 1.752 14 residues pruned to eliminate duplicates Z: 14 20.632 2.154 0.411 0.843 0.923 0.846 CB 1.519 14 residues pruned to eliminate duplicates Z: 14 26.242 2.098 1.048 0.877 0.923 0.769 CB 1.332 14 residues pruned to eliminate duplicates Z: 65 37.325 2.017 1.003 0.508 0.812 0.531 CB 1.410 45 residues pruned to eliminate duplicates Z: 19 27.850 2.002 1.166 0.559 0.944 0.667 CA 1.513 Z: 15 35.255 2.202 1.060 0.918 1.000 0.857 CA 1.465 15 residues pruned to eliminate duplicates Z: 65 53.417 2.129 0.966 0.565 0.969 0.672 CB 1.546 65 residues pruned to eliminate duplicates Z: 13 35.817 2.067 1.606 0.724 1.000 0.750 CB 1.568 13 residues pruned to eliminate duplicates Z: 15 33.632 2.128 1.085 0.934 1.000 0.857 CB 1.413 15 residues pruned to eliminate duplicates Z: 14 26.441 2.090 0.921 0.880 1.000 0.846 CB 1.324 14 residues pruned to eliminate duplicates Z: 44 36.730 2.103 0.844 0.612 0.860 0.535 CB 1.510 44 residues pruned to eliminate duplicates Z: 11 13.941 1.843 0.612 0.786 0.900 0.700 CB 1.282 11 residues pruned to eliminate duplicates Z: 13 31.296 2.119 0.923 0.908 1.000 0.833 CA 1.575 13 residues pruned to eliminate duplicates Z: 24 38.438 2.048 1.116 0.811 0.957 0.565 CB 1.476 Z: 21 27.547 2.016 1.450 0.486 0.900 0.650 CA 1.406 45 residues pruned to eliminate duplicates Z: 61 63.550 2.276 1.071 0.602 0.967 0.717 CB 1.633 61 residues pruned to eliminate duplicates Z: 9 7.119 1.625 0.692 0.581 0.750 0.375 C 1.129 9 residues pruned to eliminate duplicates Z: 67 55.082 2.243 0.899 0.571 0.955 0.727 CB 1.556 67 residues pruned to eliminate duplicates Z: 14 29.813 2.198 0.782 0.921 1.000 0.923 CB 1.486 14 residues pruned to eliminate duplicates Z: 15 31.182 2.102 1.003 0.895 1.000 0.714 CB 1.418 Z: 63 56.799 2.185 1.013 0.585 0.968 0.677 CB 1.562 63 residues pruned to eliminate duplicates Z: 11 22.087 2.079 0.666 0.891 1.000 0.800 CA 1.450 11 residues pruned to eliminate duplicates Z: 22 37.189 2.053 1.014 0.853 0.952 0.667 CA 1.524 15 residues pruned to eliminate duplicates Z: 11 15.330 1.886 0.547 0.861 0.900 0.600 CB 1.357 11 residues pruned to eliminate duplicates Z: 15 28.111 1.980 0.748 0.856 1.000 0.786 CB 1.601 15 residues pruned to eliminate duplicates Z: 14 39.798 2.223 1.218 0.942 1.000 1.000 CB 1.552 14 residues pruned to eliminate duplicates Z: 13 13.506 1.999 0.369 0.733 0.750 0.583 CB 1.541 13 residues pruned to eliminate duplicates Z: 6 9.019 1.773 0.722 0.476 1.000 0.600 CA 1.354 6 residues pruned to eliminate duplicates Z: 63 69.684 2.314 1.069 0.609 0.984 0.742 CB 1.695 63 residues pruned to eliminate duplicates Z: 101 81.978 2.262 1.211 0.600 0.960 0.640 CB 1.553 120 residues pruned to eliminate duplicates Z: 12 26.252 2.089 1.550 0.688 0.909 0.818 CB 1.376 12 residues pruned to eliminate duplicates Z: 17 27.501 2.180 0.734 0.780 0.938 0.812 CA 1.515 17 residues pruned to eliminate duplicates Z: 62 56.635 2.215 0.968 0.608 0.951 0.689 CB 1.579 62 residues pruned to eliminate duplicates Z: 15 25.498 2.034 0.694 0.919 1.000 0.714 CB 1.393 15 residues pruned to eliminate duplicates Z: 15 26.515 2.177 0.566 0.931 1.000 0.929 CA 1.453 15 residues pruned to eliminate duplicates Z: 16 26.439 2.173 1.406 0.564 0.733 0.533 CB 1.673 16 residues pruned to eliminate duplicates Z: 15 25.345 1.945 0.890 0.860 1.000 0.714 CB 1.355 15 residues pruned to eliminate duplicates Z: 64 52.924 2.153 0.961 0.603 0.937 0.746 CB 1.530 64 residues pruned to eliminate duplicates Z: 30 34.698 2.034 1.222 0.648 0.828 0.690 CB 1.500 30 residues pruned to eliminate duplicates Z: 16 29.695 2.043 0.911 0.915 1.000 0.733 CA 1.388 16 residues pruned to eliminate duplicates Z: 13 30.007 2.150 1.018 0.883 1.000 0.833 CB 1.443 13 residues pruned to eliminate duplicates Z: 13 33.704 2.058 1.606 0.657 1.000 0.750 CA 1.567 33 residues pruned to eliminate duplicates Z: 15 35.599 2.205 1.029 0.896 1.000 0.714 CA 1.523 15 residues pruned to eliminate duplicates Z: 14 19.242 1.964 1.111 0.584 0.846 0.615 CB 1.404 14 residues pruned to eliminate duplicates Z: 63 52.989 2.183 0.934 0.574 0.968 0.726 CB 1.534 63 residues pruned to eliminate duplicates Z: 15 22.238 2.086 0.455 0.918 1.000 0.929 CB 1.381 15 residues pruned to eliminate duplicates Z: 15 24.711 2.024 0.495 0.917 1.000 0.857 CB 1.541 15 residues pruned to eliminate duplicates Z: 14 32.333 2.137 1.183 0.907 0.923 0.846 CB 1.480 14 residues pruned to eliminate duplicates Z: 22 25.093 1.963 0.722 0.800 0.952 0.524 CB 1.308 25 residues pruned to eliminate duplicates Z: 63 63.841 2.294 1.108 0.573 0.952 0.677 CB 1.641 63 residues pruned to eliminate duplicates Z: 45 36.519 2.082 1.031 0.568 0.841 0.523 CB 1.449 43 residues pruned to eliminate duplicates Z: 14 30.687 2.082 1.144 0.901 0.923 0.846 CB 1.475 14 residues pruned to eliminate duplicates Z: 14 28.450 2.099 0.702 0.948 1.000 1.000 CB 1.525 14 residues pruned to eliminate duplicates Z: 63 60.843 2.133 1.089 0.611 0.968 0.694 CB 1.613 63 residues pruned to eliminate duplicates Z: 61 64.762 2.289 1.072 0.600 0.967 0.717 CB 1.658 61 residues pruned to eliminate duplicates Z: 15 26.420 2.052 0.914 0.863 1.000 0.786 CB 1.318 15 residues pruned to eliminate duplicates Z: 61 56.390 2.194 0.981 0.603 0.967 0.750 CB 1.571 61 residues pruned to eliminate duplicates Z: 58 49.700 2.157 0.832 0.586 0.947 0.684 CB 1.620 58 residues pruned to eliminate duplicates Z: 15 28.534 2.096 0.800 0.868 1.000 0.714 CB 1.478 15 residues pruned to eliminate duplicates Z: 69 57.468 2.191 0.977 0.599 0.941 0.750 CB 1.556 69 residues pruned to eliminate duplicates Z: 15 25.629 2.028 0.732 0.902 1.000 0.714 CB 1.391 15 residues pruned to eliminate duplicates Z: 17 28.809 2.196 0.911 0.736 0.875 0.500 CA 1.586 17 residues pruned to eliminate duplicates Z: 16 22.817 1.991 0.616 0.920 1.000 0.867 CB 1.289 16 residues pruned to eliminate duplicates Z: 15 36.446 2.112 1.146 0.879 1.000 0.714 CB 1.559 15 residues pruned to eliminate duplicates Z: 66 56.526 2.238 0.836 0.586 0.954 0.708 CB 1.647 66 residues pruned to eliminate duplicates Z: 14 36.032 2.206 1.027 0.936 1.000 0.692 CB 1.556 14 residues pruned to eliminate duplicates Z: 63 46.335 2.103 0.952 0.507 0.984 0.645 CB 1.448 63 residues pruned to eliminate duplicates Z: 22 34.063 2.007 1.121 0.856 0.952 0.667 CB 1.352 22 residues pruned to eliminate duplicates Z: 16 19.469 2.033 0.282 0.837 1.000 0.733 CA 1.442 16 residues pruned to eliminate duplicates Z: 16 18.294 2.043 0.453 0.824 0.933 0.600 CA 1.287 16 residues pruned to eliminate duplicates Z: 8 23.718 2.149 0.896 0.891 1.000 1.000 CA 1.582 8 residues pruned to eliminate duplicates Z: 24 28.135 1.925 0.897 0.825 0.913 0.696 CB 1.328 24 residues pruned to eliminate duplicates Z: 14 28.444 2.101 0.772 0.923 1.000 0.923 CB 1.488 14 residues pruned to eliminate duplicates Z: 62 58.663 2.245 0.898 0.613 0.967 0.803 CB 1.638 62 residues pruned to eliminate duplicates Z: 34 52.368 2.286 1.306 0.624 0.939 0.758 CB 1.637 34 residues pruned to eliminate duplicates Z: 16 19.220 1.957 0.712 0.776 0.800 0.600 CB 1.451 16 residues pruned to eliminate duplicates Z: 16 36.964 2.137 1.242 0.914 0.933 0.800 CB 1.509 16 residues pruned to eliminate duplicates Z: 20 33.564 2.080 1.014 0.823 0.947 0.684 CB 1.466 20 residues pruned to eliminate duplicates Z: 70 54.234 2.181 0.908 0.550 0.971 0.594 CB 1.539 70 residues pruned to eliminate duplicates Z: 41 37.995 2.051 0.963 0.650 0.900 0.700 CB 1.442 38 residues pruned to eliminate duplicates Z: 11 11.279 1.858 0.510 0.831 0.700 0.700 CA 1.365 11 residues pruned to eliminate duplicates Z: 17 27.185 1.994 0.973 0.868 0.938 0.750 CB 1.347 17 residues pruned to eliminate duplicates Z: 16 23.136 1.991 0.665 0.890 1.000 0.867 CB 1.297 16 residues pruned to eliminate duplicates Z: 15 20.965 1.956 0.522 0.921 1.000 0.857 CA 1.326 15 residues pruned to eliminate duplicates Z: 11 4.794 1.801 0.628 0.304 0.600 0.400 CB 1.071 11 residues pruned to eliminate duplicates Z: 23 29.301 1.958 0.814 0.842 0.955 0.591 CB 1.373 23 residues pruned to eliminate duplicates Z: 68 58.228 2.138 0.945 0.674 0.955 0.791 CB 1.526 68 residues pruned to eliminate duplicates Z: 6 8.266 1.654 0.765 0.444 1.000 0.400 C 1.342 6 residues pruned to eliminate duplicates Z: 14 31.839 2.121 0.971 0.941 1.000 0.769 CB 1.466 14 residues pruned to eliminate duplicates Z: 11 25.088 2.226 0.702 0.863 1.000 0.600 CA 1.536 11 residues pruned to eliminate duplicates Z: 15 15.739 1.944 0.464 0.855 0.786 0.500 CA 1.388 15 residues pruned to eliminate duplicates Z: 61 54.329 2.143 1.047 0.624 0.933 0.700 CB 1.525 62 residues pruned to eliminate duplicates Z: 64 57.497 2.215 0.959 0.587 0.968 0.794 CB 1.587 64 residues pruned to eliminate duplicates Z: 22 25.248 1.864 0.684 0.817 0.952 0.619 CB 1.399 22 residues pruned to eliminate duplicates Z: 41 49.915 2.207 1.256 0.591 0.950 0.675 CB 1.529 41 residues pruned to eliminate duplicates Z: 10 16.722 1.890 0.767 0.839 0.889 0.667 CB 1.401 10 residues pruned to eliminate duplicates Z: 12 16.075 2.088 0.389 0.748 0.909 0.545 CB 1.474 12 residues pruned to eliminate duplicates Z: 11 14.557 1.975 0.936 0.761 0.800 0.500 CB 1.193 10 residues pruned to eliminate duplicates Z: 62 65.661 2.298 1.089 0.596 0.967 0.721 CB 1.652 62 residues pruned to eliminate duplicates Z: 16 27.394 2.137 0.862 0.923 0.933 0.800 CA 1.338 16 residues pruned to eliminate duplicates Z: 15 29.293 1.984 0.957 0.898 1.000 0.714 CB 1.443 15 residues pruned to eliminate duplicates Z: 16 30.445 2.137 0.878 0.898 1.000 0.867 CA 1.401 16 residues pruned to eliminate duplicates Z: 30 34.704 2.182 1.018 0.519 0.897 0.586 CB 1.602 30 residues pruned to eliminate duplicates Z: 32 33.408 2.137 0.795 0.576 0.968 0.613 CB 1.502 32 residues pruned to eliminate duplicates Z: 70 59.604 2.198 0.875 0.635 0.971 0.725 CB 1.579 70 residues pruned to eliminate duplicates Z: 62 63.051 2.288 1.059 0.590 0.951 0.705 CB 1.654 62 residues pruned to eliminate duplicates Z: 15 23.777 1.919 0.962 0.843 0.929 0.857 CB 1.353 15 residues pruned to eliminate duplicates Z: 11 12.383 1.857 0.806 0.748 0.900 0.500 CB 1.039 11 residues pruned to eliminate duplicates Z: 10 13.741 1.860 0.806 0.710 0.889 0.556 CB 1.267 10 residues pruned to eliminate duplicates Z: 14 28.136 2.093 1.166 0.879 0.923 0.692 CB 1.352 14 residues pruned to eliminate duplicates Z: 60 60.854 2.242 1.018 0.626 0.983 0.729 CB 1.582 60 residues pruned to eliminate duplicates Z: 50 56.591 2.263 1.037 0.620 0.959 0.714 CB 1.633 50 residues pruned to eliminate duplicates Z: 31 30.513 2.075 1.091 0.451 0.867 0.667 CB 1.558 31 residues pruned to eliminate duplicates Z: 8 9.218 1.984 0.562 0.338 1.000 0.429 CB 1.343 9 residues pruned to eliminate duplicates Z: 23 31.495 2.040 1.168 0.825 0.909 0.636 CB 1.260 23 residues pruned to eliminate duplicates Z: 14 31.805 2.056 1.217 0.901 1.000 0.846 CB 1.381 14 residues pruned to eliminate duplicates Z: 16 23.609 2.112 0.534 0.917 1.000 0.867 CB 1.328 16 residues pruned to eliminate duplicates Z: 15 30.572 2.109 0.899 0.902 0.929 0.857 CA 1.567 15 residues pruned to eliminate duplicates Z: 15 24.838 2.012 0.833 0.931 1.000 0.929 CB 1.258 15 residues pruned to eliminate duplicates Z: 66 59.043 2.224 0.896 0.580 0.969 0.662 CB 1.659 66 residues pruned to eliminate duplicates Z: 22 26.758 2.039 1.125 0.588 0.810 0.619 CB 1.530 Z: 16 35.072 2.142 1.069 0.928 1.000 0.867 CA 1.431 16 residues pruned to eliminate duplicates Z: 15 35.154 2.058 1.129 0.909 1.000 0.857 CB 1.522 15 residues pruned to eliminate duplicates Z: 119 89.779 2.253 1.129 0.606 0.941 0.678 CB 1.656 122 residues pruned to eliminate duplicates Z: 11 18.809 1.847 0.832 0.869 1.000 0.800 CB 1.283 11 residues pruned to eliminate duplicates Z: 15 29.641 2.034 1.129 0.937 1.000 0.429 CB 1.273 15 residues pruned to eliminate duplicates Z: 7 13.831 2.179 0.313 0.853 1.000 0.667 CB 1.458 7 residues pruned to eliminate duplicates Z: 15 32.415 2.074 1.076 0.914 1.000 0.857 CB 1.423 15 residues pruned to eliminate duplicates Z: 11 16.309 1.829 0.876 0.830 1.000 0.700 CB 1.130 11 residues pruned to eliminate duplicates Z: 16 28.491 2.106 0.757 0.884 1.000 0.933 CA 1.436 16 residues pruned to eliminate duplicates Z: 16 25.467 2.090 1.161 0.602 0.867 0.600 CB 1.524 16 residues pruned to eliminate duplicates Z: 16 26.896 2.011 0.787 0.930 1.000 0.733 CB 1.352 16 residues pruned to eliminate duplicates Z: 67 61.696 2.254 1.055 0.565 0.955 0.697 CB 1.612 67 residues pruned to eliminate duplicates Z: 9 6.147 2.006 0.487 0.257 0.875 0.250 CB 1.100 9 residues pruned to eliminate duplicates Z: 15 16.582 2.065 0.231 0.847 1.000 0.786 CA 1.294 15 residues pruned to eliminate duplicates Z: 41 42.495 2.105 0.867 0.674 0.950 0.775 CB 1.533 41 residues pruned to eliminate duplicates Z: 14 29.926 2.057 1.037 0.885 1.000 0.923 CB 1.430 14 residues pruned to eliminate duplicates Z: 12 32.684 2.291 1.040 0.908 1.000 0.545 CB 1.498 12 residues pruned to eliminate duplicates Z: 15 33.468 2.118 0.940 0.920 1.000 0.857 CB 1.533 15 residues pruned to eliminate duplicates Z: 13 31.139 2.045 1.104 0.918 1.000 0.833 CB 1.474 13 residues pruned to eliminate duplicates Z: 10 21.755 1.974 1.178 0.864 0.889 0.556 CB 1.391 8 residues pruned to eliminate duplicates Z: 11 9.463 1.768 0.446 0.786 0.800 0.600 CA 1.137 11 residues pruned to eliminate duplicates Z: 36 44.215 2.127 1.146 0.699 0.914 0.714 CB 1.494 36 residues pruned to eliminate duplicates Z: 30 28.582 2.048 0.984 0.653 0.862 0.621 CB 1.314 30 residues pruned to eliminate duplicates Z: 9 10.404 1.856 0.513 0.848 0.750 0.750 CA 1.296 9 residues pruned to eliminate duplicates Z: 66 64.168 2.265 1.072 0.609 0.954 0.754 CB 1.604 66 residues pruned to eliminate duplicates Z: 15 24.582 1.907 0.811 0.894 1.000 0.857 CB 1.365 15 residues pruned to eliminate duplicates Z: 10 22.105 1.936 1.192 0.793 1.000 0.778 CB 1.342 10 residues pruned to eliminate duplicates Z: 15 13.112 1.965 0.219 0.795 0.857 0.571 CB 1.318 15 residues pruned to eliminate duplicates Z: 62 56.095 2.264 0.842 0.598 0.951 0.705 CB 1.649 62 residues pruned to eliminate duplicates Z: 14 25.658 2.007 0.696 0.870 1.000 0.846 CB 1.526 14 residues pruned to eliminate duplicates Z: 67 58.800 2.242 0.895 0.607 0.970 0.742 CB 1.588 67 residues pruned to eliminate duplicates Z: 11 43.314 2.226 1.682 0.842 1.000 0.900 CB 1.710 11 residues pruned to eliminate duplicates Z: 32 36.725 2.159 0.826 0.611 1.000 0.742 CB 1.507 32 residues pruned to eliminate duplicates Z: 89 74.324 2.192 1.126 0.616 0.943 0.716 CB 1.616 89 residues pruned to eliminate duplicates Z: 15 33.052 2.291 0.938 0.652 1.000 0.571 CB 1.728 15 residues pruned to eliminate duplicates Z: 63 56.776 2.175 0.977 0.569 0.968 0.710 CB 1.621 63 residues pruned to eliminate duplicates Z: 15 31.586 1.965 1.080 0.901 1.000 0.786 CB 1.474 15 residues pruned to eliminate duplicates Z: 10 19.414 1.872 1.030 0.776 1.000 0.667 CB 1.335 10 residues pruned to eliminate duplicates Z: 21 25.768 2.078 1.040 0.471 0.900 0.650 CB 1.556 21 residues pruned to eliminate duplicates Z: 67 58.445 2.198 0.993 0.593 0.924 0.742 CB 1.625 67 residues pruned to eliminate duplicates Z: 55 48.658 2.137 0.988 0.657 0.926 0.685 CB 1.455 55 residues pruned to eliminate duplicates Z: 11 13.263 1.852 0.744 0.811 1.000 0.700 CB 0.990 11 residues pruned to eliminate duplicates Z: 17 24.209 1.897 0.824 0.888 1.000 1.000 CB 1.260 17 residues pruned to eliminate duplicates Z: 14 30.673 2.107 1.320 0.774 1.000 0.692 CB 1.366 14 residues pruned to eliminate duplicates Z: 26 42.504 2.127 1.419 0.719 0.920 0.560 CB 1.474 26 residues pruned to eliminate duplicates Z: 16 16.812 2.034 0.644 0.743 0.800 0.467 CA 1.305 16 residues pruned to eliminate duplicates Z: 9 5.898 2.027 0.818 0.232 0.750 0.375 CB 1.031 9 residues pruned to eliminate duplicates Z: 27 27.956 2.062 0.879 0.693 0.885 0.731 CB 1.342 27 residues pruned to eliminate duplicates Z: 15 19.664 2.018 0.538 0.807 0.929 0.643 CB 1.395 15 residues pruned to eliminate duplicates Z: 9 11.200 2.051 1.268 0.407 0.750 0.375 CB 1.252 9 residues pruned to eliminate duplicates Z: 14 28.962 2.063 1.011 0.902 1.000 0.846 CB 1.381 14 residues pruned to eliminate duplicates Z: 67 64.707 2.279 1.107 0.600 0.924 0.697 CB 1.631 67 residues pruned to eliminate duplicates Z: 11 14.302 2.012 0.328 0.820 0.900 0.600 CA 1.424 11 residues pruned to eliminate duplicates Z: 12 20.214 1.797 0.990 0.824 1.000 0.636 CB 1.287 12 residues pruned to eliminate duplicates Z: 14 24.500 1.983 0.948 0.827 0.923 0.769 CB 1.437 14 residues pruned to eliminate duplicates Z: 16 37.372 2.156 1.230 0.923 1.000 0.667 CA 1.411 16 residues pruned to eliminate duplicates Z: 14 31.425 2.105 0.918 0.947 1.000 1.000 CB 1.493 14 residues pruned to eliminate duplicates Z: 14 28.146 1.964 1.135 0.836 1.000 0.846 CA 1.394 14 residues pruned to eliminate duplicates Z: 56 62.334 2.263 0.973 0.651 0.964 0.745 CA 1.697 56 residues pruned to eliminate duplicates Z: 56 46.648 2.079 1.144 0.602 0.909 0.727 CB 1.408 38 residues pruned to eliminate duplicates Z: 14 27.721 2.040 0.979 0.899 0.923 0.846 CB 1.475 14 residues pruned to eliminate duplicates Z: 63 53.979 2.178 0.988 0.565 0.952 0.629 CB 1.561 63 residues pruned to eliminate duplicates Z: 88 71.181 2.209 1.153 0.625 0.943 0.632 CB 1.513 88 residues pruned to eliminate duplicates Z: 51 42.710 2.078 0.944 0.594 0.920 0.660 CB 1.486 26 residues pruned to eliminate duplicates Z: 16 26.379 2.132 1.333 0.527 0.933 0.800 CB 1.429 16 residues pruned to eliminate duplicates Z: 64 59.983 2.194 0.967 0.623 0.968 0.714 CB 1.610 65 residues pruned to eliminate duplicates Z: 13 30.146 2.035 1.269 0.898 1.000 0.917 CB 1.348 13 residues pruned to eliminate duplicates Z: 11 18.456 2.038 0.932 0.682 0.900 0.800 CB 1.393 11 residues pruned to eliminate duplicates Z: 10 20.107 1.869 1.052 0.824 1.000 0.778 CA 1.321 10 residues pruned to eliminate duplicates Z: 14 22.793 2.026 0.930 0.657 0.923 0.692 CB 1.515 14 residues pruned to eliminate duplicates Z: 16 28.082 1.973 1.035 0.932 0.933 0.733 CA 1.351 16 residues pruned to eliminate duplicates Z: 22 32.255 2.061 1.054 0.805 0.952 0.667 CB 1.338 22 residues pruned to eliminate duplicates Z: 13 7.058 1.678 0.972 0.324 0.750 0.333 CB 0.997 13 residues pruned to eliminate duplicates Z: 15 29.960 2.141 0.910 0.942 1.000 0.929 CB 1.358 15 residues pruned to eliminate duplicates Z: 51 36.696 2.010 1.171 0.537 0.860 0.520 CB 1.334 54 residues pruned to eliminate duplicates Z: 8 9.975 1.801 1.271 0.435 0.714 0.571 CB 1.381 8 residues pruned to eliminate duplicates Z: 19 23.681 2.018 0.926 0.524 0.944 0.722 CB 1.485 19 residues pruned to eliminate duplicates Z: 47 48.811 2.076 1.049 0.662 0.957 0.630 CB 1.522 47 residues pruned to eliminate duplicates Z: 14 19.564 2.018 0.733 0.541 0.923 0.769 CB 1.615 14 residues pruned to eliminate duplicates Z: 17 15.734 1.988 0.419 0.794 0.812 0.688 CA 1.326 17 residues pruned to eliminate duplicates Z: 16 22.647 2.121 0.432 0.828 1.000 0.733 CA 1.449 16 residues pruned to eliminate duplicates Z: 13 39.277 2.200 1.408 0.784 1.000 0.750 CB 1.666 14 residues pruned to eliminate duplicates Z: 15 30.526 2.150 0.787 0.915 1.000 0.786 CB 1.500 15 residues pruned to eliminate duplicates Z: 33 42.705 2.126 1.147 0.630 0.938 0.625 CB 1.562 33 residues pruned to eliminate duplicates Z: 12 9.260 1.859 0.350 0.780 0.727 0.545 CB 1.195 12 residues pruned to eliminate duplicates Z: 8 2.990 1.521 0.349 0.329 0.714 0.571 CB 0.931 8 residues pruned to eliminate duplicates Z: 16 27.140 2.072 0.869 0.896 1.000 0.733 CB 1.297 16 residues pruned to eliminate duplicates Z: 24 27.148 2.130 1.186 0.478 0.957 0.565 CB 1.299 24 residues pruned to eliminate duplicates Z: 15 19.847 2.043 0.501 0.790 1.000 0.643 CB 1.341 15 residues pruned to eliminate duplicates Z: 6 4.404 1.714 0.175 0.580 0.800 0.600 C 1.132 Z: 60 56.386 2.181 0.960 0.634 0.949 0.746 CB 1.595 60 residues pruned to eliminate duplicates Z: 65 62.749 2.280 1.058 0.588 0.953 0.750 CB 1.612 65 residues pruned to eliminate duplicates Z: 40 43.810 2.256 1.090 0.587 0.897 0.667 CB 1.525 40 residues pruned to eliminate duplicates Z: 26 24.952 2.017 1.088 0.514 0.800 0.520 CB 1.461 26 residues pruned to eliminate duplicates Z: 15 23.701 1.919 0.746 0.867 0.929 0.786 CB 1.490 15 residues pruned to eliminate duplicates Z: 16 19.500 1.963 1.114 0.545 0.867 0.733 CB 1.340 16 residues pruned to eliminate duplicates Z: 16 18.651 1.941 0.507 0.793 0.933 0.533 CB 1.364 16 residues pruned to eliminate duplicates Z: 9 17.403 2.100 1.087 0.427 1.000 0.625 CB 1.514 9 residues pruned to eliminate duplicates Z: 15 17.723 2.161 0.317 0.791 0.929 0.714 CA 1.388 15 residues pruned to eliminate duplicates Z: 15 22.611 1.994 0.662 0.810 1.000 0.857 CA 1.392 15 residues pruned to eliminate duplicates Z: 64 58.930 2.182 1.077 0.605 0.968 0.714 CB 1.532 62 residues pruned to eliminate duplicates Z: 15 30.449 2.074 0.893 0.941 1.000 0.857 CB 1.438 15 residues pruned to eliminate duplicates Z: 9 9.329 1.823 0.516 0.844 0.750 0.625 CB 1.185 9 residues pruned to eliminate duplicates Z: 32 27.044 2.105 1.076 0.587 0.839 0.581 CB 1.219 26 residues pruned to eliminate duplicates Z: 65 59.565 2.252 0.944 0.603 0.953 0.719 CB 1.617 65 residues pruned to eliminate duplicates Z: 19 9.427 1.714 0.672 0.422 0.833 0.333 CB 1.009 19 residues pruned to eliminate duplicates Z: 6 2.822 1.600 0.034 0.817 0.600 0.600 CB 0.966 6 residues pruned to eliminate duplicates Z: 16 25.844 2.047 0.670 0.914 1.000 0.800 CA 1.381 16 residues pruned to eliminate duplicates Z: 13 19.721 2.022 0.390 0.913 1.000 0.917 CB 1.434 13 residues pruned to eliminate duplicates Z: 16 17.276 1.947 0.425 0.803 0.933 0.600 CA 1.322 16 residues pruned to eliminate duplicates Z: 15 19.928 2.070 0.397 0.837 0.929 0.500 CA 1.483 15 residues pruned to eliminate duplicates Z: 55 43.841 2.095 0.733 0.582 0.981 0.630 CB 1.547 55 residues pruned to eliminate duplicates Z: 23 39.694 2.035 1.398 0.829 0.955 0.636 CB 1.367 23 residues pruned to eliminate duplicates Z: 7 12.353 1.857 0.465 0.837 1.000 0.500 CA 1.385 7 residues pruned to eliminate duplicates Z: 37 35.231 2.074 1.146 0.602 0.806 0.556 CB 1.486 37 residues pruned to eliminate duplicates Z: 11 14.613 1.880 0.304 0.865 1.000 0.700 CA 1.381 11 residues pruned to eliminate duplicates Z: 18 27.394 2.159 0.793 0.555 1.000 0.824 CB 1.627 18 residues pruned to eliminate duplicates Z: 20 15.769 2.098 0.497 0.387 0.789 0.421 CA 1.645 20 residues pruned to eliminate duplicates Z: 14 32.301 2.038 1.137 0.889 1.000 0.923 CB 1.481 14 residues pruned to eliminate duplicates Z: 11 15.190 1.802 0.762 0.772 1.000 0.700 CB 1.190 11 residues pruned to eliminate duplicates Z: 15 32.930 2.038 1.164 0.940 1.000 0.857 CB 1.385 15 residues pruned to eliminate duplicates Z: 15 30.027 2.059 0.958 0.918 1.000 0.643 CB 1.403 15 residues pruned to eliminate duplicates Z: 24 33.928 2.002 1.004 0.792 0.957 0.522 CB 1.427 24 residues pruned to eliminate duplicates Z: 14 22.653 1.945 0.779 0.867 0.923 0.846 CB 1.439 14 residues pruned to eliminate duplicates Z: 11 13.391 1.888 0.449 0.813 1.000 0.700 CB 1.179 11 residues pruned to eliminate duplicates Z: 14 14.295 1.917 0.328 0.747 0.923 0.462 CB 1.353 14 residues pruned to eliminate duplicates Z: 11 12.850 1.845 1.265 0.457 0.900 0.800 CB 1.130 11 residues pruned to eliminate duplicates Z: 13 32.921 2.167 1.512 0.765 1.000 0.667 CB 1.380 13 residues pruned to eliminate duplicates Z: 48 51.806 2.194 1.008 0.640 0.979 0.745 CB 1.537 48 residues pruned to eliminate duplicates Z: 67 62.878 2.251 1.002 0.562 0.985 0.697 CB 1.641 67 residues pruned to eliminate duplicates Z: 16 28.985 2.004 0.948 0.940 1.000 0.933 CB 1.331 16 residues pruned to eliminate duplicates Z: 22 29.608 1.934 0.920 0.817 0.905 0.714 CB 1.460 22 residues pruned to eliminate duplicates Z: 15 31.374 2.048 1.094 0.924 0.929 0.786 CB 1.478 15 residues pruned to eliminate duplicates Z: 22 21.343 1.882 1.018 0.527 0.857 0.667 CB 1.393 71 residues pruned to eliminate duplicates Z: 78 59.072 2.113 0.963 0.599 0.935 0.636 CB 1.578 78 residues pruned to eliminate duplicates Z: 29 29.905 2.036 0.944 0.643 0.893 0.429 CB 1.399 29 residues pruned to eliminate duplicates Z: 44 38.541 2.096 1.023 0.622 0.907 0.535 CB 1.362 Z: 13 15.164 1.944 0.386 0.791 0.917 0.500 CA 1.373 13 residues pruned to eliminate duplicates Z: 29 47.031 2.155 1.378 0.739 0.893 0.679 CB 1.568 29 residues pruned to eliminate duplicates Z: 12 16.504 1.782 0.731 0.830 1.000 0.636 CB 1.213 12 residues pruned to eliminate duplicates Z: 16 17.241 1.847 0.373 0.832 0.933 0.600 CB 1.412 16 residues pruned to eliminate duplicates Z: 11 13.165 1.944 0.604 0.749 0.800 0.500 CB 1.336 11 residues pruned to eliminate duplicates Z: 15 33.920 1.979 1.211 0.937 1.000 0.714 CB 1.442 15 residues pruned to eliminate duplicates Z: 55 53.794 2.207 1.032 0.602 0.907 0.648 CB 1.633 55 residues pruned to eliminate duplicates Z: 17 12.189 1.876 0.311 0.756 0.750 0.562 CA 1.314 17 residues pruned to eliminate duplicates Z: 7 3.547 1.612 0.270 0.344 0.667 0.500 C 1.257 Z: 10 17.846 1.948 0.777 0.840 1.000 0.778 CB 1.283 10 residues pruned to eliminate duplicates Z: 18 27.845 2.136 0.895 0.514 1.000 0.882 CB 1.645 18 residues pruned to eliminate duplicates Z: 11 29.121 2.189 1.223 0.747 1.000 0.900 CA 1.517 11 residues pruned to eliminate duplicates Z: 38 44.660 2.149 1.195 0.687 0.892 0.676 CB 1.471 38 residues pruned to eliminate duplicates Z: 11 11.704 1.966 0.113 0.865 0.900 0.700 CA 1.376 11 residues pruned to eliminate duplicates Z: 40 31.677 2.002 0.967 0.626 0.846 0.590 CB 1.352 40 residues pruned to eliminate duplicates Z: 13 31.204 2.099 1.228 0.757 0.917 0.833 CB 1.672 13 residues pruned to eliminate duplicates Z: 15 22.596 2.082 0.601 0.811 1.000 0.714 CB 1.381 15 residues pruned to eliminate duplicates Z: 17 20.759 1.881 0.737 0.910 0.938 0.875 CB 1.201 17 residues pruned to eliminate duplicates Z: 17 23.937 1.955 0.767 0.921 0.938 0.812 CB 1.301 17 residues pruned to eliminate duplicates Z: 38 33.666 2.066 1.050 0.540 0.865 0.595 CB 1.453 38 residues pruned to eliminate duplicates Z: 59 53.981 2.120 1.021 0.629 0.948 0.741 CB 1.545 59 residues pruned to eliminate duplicates Z: 7 4.129 1.754 0.892 0.289 0.500 0.500 CA 1.286 7 residues pruned to eliminate duplicates Z: 13 25.633 2.109 1.086 0.899 0.917 0.750 CB 1.312 13 residues pruned to eliminate duplicates Z: 12 14.945 1.780 0.741 0.785 0.909 0.455 CB 1.244 12 residues pruned to eliminate duplicates Z: 10 25.924 2.032 1.017 0.875 1.000 0.444 CB 1.533 10 residues pruned to eliminate duplicates Z: 14 19.939 2.045 0.818 0.836 0.923 0.769 CB 1.205 14 residues pruned to eliminate duplicates Z: 20 31.113 1.973 1.067 0.847 0.947 0.579 CB 1.372 20 residues pruned to eliminate duplicates Z: 14 29.287 2.074 1.434 0.661 0.923 0.769 CB 1.502 14 residues pruned to eliminate duplicates Z: 14 14.574 2.044 0.421 0.776 0.846 0.615 CB 1.289 14 residues pruned to eliminate duplicates Z: 46 45.249 2.137 1.037 0.647 0.933 0.711 CB 1.447 46 residues pruned to eliminate duplicates Z: 16 28.344 1.991 0.971 0.874 0.933 0.800 CA 1.454 16 residues pruned to eliminate duplicates Z: 15 38.836 2.171 1.187 0.951 1.000 0.929 CA 1.507 15 residues pruned to eliminate duplicates Z: 7 6.237 2.016 1.046 0.375 0.667 0.500 CA 1.059 7 residues pruned to eliminate duplicates Z: 57 63.034 2.273 1.003 0.646 0.982 0.804 CB 1.644 57 residues pruned to eliminate duplicates Z: 50 52.209 2.148 1.010 0.677 0.959 0.714 CB 1.530 50 residues pruned to eliminate duplicates Z: 51 56.941 2.238 1.130 0.598 0.940 0.660 CB 1.637 51 residues pruned to eliminate duplicates Z: 7 7.753 1.963 0.354 0.786 1.000 0.833 CB 0.926 Z: 13 15.617 2.088 0.443 0.782 0.750 0.500 CA 1.557 13 residues pruned to eliminate duplicates Z: 36 33.736 2.059 0.828 0.664 0.914 0.543 CB 1.424 36 residues pruned to eliminate duplicates Z: 25 26.880 2.029 0.919 0.706 0.875 0.500 CB 1.335 25 residues pruned to eliminate duplicates Z: 9 7.224 1.701 0.067 0.668 0.875 0.500 N 1.377 Z: 62 55.450 2.169 0.919 0.590 0.951 0.689 CB 1.646 62 residues pruned to eliminate duplicates Z: 6 4.315 1.663 -0.007 0.334 1.000 0.400 CA 1.402 Z: 7 7.431 1.731 1.075 0.668 0.833 0.667 N 0.868 Z: 7 3.701 1.865 0.491 0.172 1.000 0.333 CB 0.808 7 residues pruned to eliminate duplicates Z: 15 8.295 1.753 0.455 0.337 0.857 0.429 CB 1.211 15 residues pruned to eliminate duplicates Z: 7 15.835 2.269 0.430 0.735 1.000 0.833 CB 1.614 7 residues pruned to eliminate duplicates Z: 60 65.361 2.234 1.105 0.664 0.949 0.695 CB 1.639 60 residues pruned to eliminate duplicates Z: 7 6.445 1.827 -0.127 0.690 1.000 0.500 CB 1.387 Z: 8 14.466 2.079 0.709 0.751 0.857 0.857 CB 1.436 8 residues pruned to eliminate duplicates Z: 8 2.622 1.424 0.132 0.276 0.857 0.714 CB 0.925 Z: 15 28.521 2.127 0.872 0.909 0.929 0.571 CB 1.463 15 residues pruned to eliminate duplicates Z: 14 30.072 2.091 0.987 0.855 1.000 0.923 CB 1.481 14 residues pruned to eliminate duplicates Z: 22 28.134 2.220 0.981 0.464 0.857 0.714 CB 1.689 22 residues pruned to eliminate duplicates Z: 12 23.628 2.099 1.033 0.660 0.909 0.818 CA 1.584 12 residues pruned to eliminate duplicates Z: 14 24.076 2.121 0.546 0.895 1.000 0.846 CB 1.460 14 residues pruned to eliminate duplicates Z: 16 24.950 2.105 0.746 0.903 1.000 0.867 CA 1.249 16 residues pruned to eliminate duplicates Z: 9 4.419 1.657 -0.211 0.559 0.875 0.500 O 1.290 Z: 7 8.046 1.789 0.478 0.659 0.833 0.167 CA 1.286 7 residues pruned to eliminate duplicates Z: 18 27.139 1.977 1.141 0.617 0.941 0.706 CB 1.479 18 residues pruned to eliminate duplicates Z: 7 4.049 1.705 -0.157 0.509 1.000 0.667 CB 1.140 7 residues pruned to eliminate duplicates Z: 11 15.474 2.210 0.378 0.744 0.800 0.500 CA 1.615 11 residues pruned to eliminate duplicates Z: 6 2.509 1.698 -0.012 0.400 0.600 0.400 C 1.239 Z: 17 14.456 1.876 0.435 0.771 0.812 0.500 CB 1.300 17 residues pruned to eliminate duplicates Z: 6 3.164 1.336 0.510 0.753 0.800 0.600 CA 0.700 Z: 67 60.399 2.258 0.963 0.581 0.955 0.727 CB 1.625 67 residues pruned to eliminate duplicates Z: 36 40.363 2.107 1.063 0.685 0.857 0.571 CB 1.546 36 residues pruned to eliminate duplicates Z: 12 29.193 2.081 1.211 0.730 1.000 0.909 CB 1.555 12 residues pruned to eliminate duplicates Z: 15 27.876 2.036 1.016 0.941 1.000 0.786 CB 1.260 15 residues pruned to eliminate duplicates Z: 10 13.385 1.885 0.461 0.798 0.889 0.556 CB 1.404 10 residues pruned to eliminate duplicates Z: 64 58.240 2.200 0.973 0.615 0.952 0.730 CB 1.592 64 residues pruned to eliminate duplicates Z: 12 10.859 1.688 0.433 0.814 0.909 0.545 CB 1.134 Z: 14 23.663 2.072 0.743 0.801 1.000 0.615 CB 1.397 14 residues pruned to eliminate duplicates Z: 19 10.384 1.627 0.766 0.353 0.778 0.389 CA 1.284 19 residues pruned to eliminate duplicates Z: 22 35.854 1.987 1.015 0.834 1.000 0.762 CB 1.465 22 residues pruned to eliminate duplicates Z: 7 11.159 1.778 1.134 0.502 1.000 0.667 CA 1.198 7 residues pruned to eliminate duplicates Z: 15 25.918 2.247 0.582 0.773 0.929 0.500 CB 1.648 15 residues pruned to eliminate duplicates Z: 34 36.654 2.086 1.273 0.555 0.788 0.667 CB 1.618 34 residues pruned to eliminate duplicates Z: 45 36.474 2.080 0.779 0.641 0.909 0.795 CB 1.433 45 residues pruned to eliminate duplicates Z: 86 61.428 2.107 1.047 0.607 0.929 0.682 CB 1.502 60 residues pruned to eliminate duplicates Z: 55 51.928 2.214 0.817 0.601 0.981 0.759 CB 1.625 55 residues pruned to eliminate duplicates Z: 6 2.866 1.792 0.333 0.298 0.600 0.600 CA 1.121 Z: 10 11.708 1.621 0.680 0.886 0.889 0.778 CA 1.164 10 residues pruned to eliminate duplicates Z: 16 26.779 1.988 0.885 0.879 0.933 0.733 CB 1.434 16 residues pruned to eliminate duplicates Z: 7 8.023 1.661 0.639 0.587 0.833 0.833 CB 1.329 7 residues pruned to eliminate duplicates Z: 20 24.502 2.044 1.011 0.638 0.789 0.632 CB 1.521 20 residues pruned to eliminate duplicates Z: 14 20.235 2.061 0.493 0.935 1.000 1.000 CB 1.271 14 residues pruned to eliminate duplicates Z: 17 34.554 2.060 1.353 0.902 0.938 0.750 CA 1.356 17 residues pruned to eliminate duplicates Z: 20 28.711 2.143 1.345 0.521 0.842 0.737 CB 1.525 20 residues pruned to eliminate duplicates Z: 14 13.986 1.807 0.790 0.640 0.846 0.769 CB 1.243 14 residues pruned to eliminate duplicates Z: 59 67.635 2.268 1.087 0.653 0.983 0.776 CB 1.655 59 residues pruned to eliminate duplicates Z: 6 5.484 1.850 0.340 0.509 0.800 0.600 CB 1.226 6 residues pruned to eliminate duplicates Z: 14 29.616 2.091 0.945 0.938 1.000 1.000 CB 1.404 14 residues pruned to eliminate duplicates Z: 17 29.145 2.068 0.973 0.711 0.938 0.562 CB 1.574 17 residues pruned to eliminate duplicates Z: 6 5.980 1.654 0.659 0.413 1.000 0.800 CB 1.067 Z: 68 51.324 2.143 0.810 0.571 0.955 0.746 CB 1.580 68 residues pruned to eliminate duplicates Z: 9 11.739 2.246 0.920 0.384 0.750 0.625 CB 1.451 9 residues pruned to eliminate duplicates Z: 22 26.194 1.919 0.898 0.795 0.905 0.667 CB 1.339 22 residues pruned to eliminate duplicates Z: 8 9.774 2.011 0.969 0.269 1.000 0.286 CB 1.213 8 residues pruned to eliminate duplicates Z: 22 31.157 1.998 0.978 0.882 0.905 0.619 CB 1.376 22 residues pruned to eliminate duplicates Z: 6 4.575 1.735 0.898 0.298 0.800 0.400 CB 0.974 6 residues pruned to eliminate duplicates Z: 10 16.759 1.909 0.725 0.843 1.000 0.667 CB 1.263 10 residues pruned to eliminate duplicates Z: 14 27.112 1.953 1.226 0.887 1.000 0.846 CB 1.247 14 residues pruned to eliminate duplicates Z: 11 7.625 1.681 0.041 0.527 1.000 0.600 CB 1.342 Z: 15 26.890 1.970 1.038 0.937 1.000 0.571 CB 1.245 15 residues pruned to eliminate duplicates Z: 14 5.864 1.601 0.350 0.460 0.769 0.615 CB 1.018 6 residues pruned to eliminate duplicates Z: 59 56.547 2.223 0.817 0.627 0.983 0.776 CB 1.660 59 residues pruned to eliminate duplicates Z: 13 14.327 1.811 0.422 0.871 0.917 0.750 CB 1.277 13 residues pruned to eliminate duplicates Z: 6 9.881 2.068 0.554 0.852 1.000 0.800 CA 1.017 6 residues pruned to eliminate duplicates Z: 7 3.744 1.556 -0.153 0.866 1.000 1.000 CB 0.849 Z: 78 60.183 2.193 1.082 0.588 0.922 0.675 CB 1.497 78 residues pruned to eliminate duplicates Z: 39 47.145 2.157 1.333 0.635 0.842 0.632 CB 1.590 44 residues pruned to eliminate duplicates Z: 7 5.480 1.603 0.896 0.726 0.833 0.833 CB 0.720 Z: 12 24.320 2.113 0.788 0.868 1.000 0.636 CA 1.419 12 residues pruned to eliminate duplicates Z: 62 57.015 2.211 0.796 0.626 0.984 0.820 CB 1.660 62 residues pruned to eliminate duplicates Z: 6 4.270 1.698 -0.137 0.738 1.000 1.000 CB 1.053 Z: 6 3.805 1.630 -0.060 0.555 1.000 0.800 CB 1.053 Z: 60 64.814 2.242 1.031 0.658 0.983 0.797 CB 1.627 60 residues pruned to eliminate duplicates Z: 22 30.470 2.025 0.922 0.862 0.952 0.571 CB 1.317 22 residues pruned to eliminate duplicates Z: 18 13.883 1.821 0.522 0.701 0.824 0.529 CB 1.229 30 residues pruned to eliminate duplicates Z: 16 31.466 1.993 1.139 0.890 1.000 0.867 CB 1.371 16 residues pruned to eliminate duplicates 6 1.519 1.103 -0.147 0.631 1.000 0.600 CB 0.638 ? Z: 19 15.211 1.850 0.690 0.493 0.889 0.500 CB 1.300 19 residues pruned to eliminate duplicates Z: 8 3.385 1.569 -0.083 0.306 1.000 0.429 CB 1.103 8 residues pruned to eliminate duplicates Z: 14 35.551 2.121 1.291 0.915 1.000 0.769 CB 1.433 14 residues pruned to eliminate duplicates Z: 65 54.645 2.147 0.989 0.589 0.938 0.719 CB 1.567 65 residues pruned to eliminate duplicates Z: 50 50.777 2.088 1.091 0.628 0.980 0.673 CB 1.503 50 residues pruned to eliminate duplicates Z: 8 6.150 1.834 0.855 0.343 0.857 0.571 CB 0.945 8 residues pruned to eliminate duplicates Z: 64 53.805 2.136 1.076 0.603 0.952 0.810 CB 1.455 64 residues pruned to eliminate duplicates Z: 10 15.216 1.751 0.743 0.872 1.000 1.000 CB 1.211 10 residues pruned to eliminate duplicates Z: 34 33.867 2.119 0.895 0.600 0.909 0.758 CB 1.468 34 residues pruned to eliminate duplicates Z: 9 8.081 1.710 0.117 0.686 1.000 0.875 CB 1.260 9 residues pruned to eliminate duplicates Z: 66 64.633 2.266 1.097 0.559 0.985 0.600 CB 1.619 66 residues pruned to eliminate duplicates Z: 35 48.290 2.214 1.167 0.624 0.971 0.706 CB 1.583 35 residues pruned to eliminate duplicates Z: 41 23.124 1.888 0.873 0.535 0.800 0.550 CB 1.249 80 residues pruned to eliminate duplicates Z: 63 50.422 2.133 0.845 0.611 0.935 0.742 CB 1.566 63 residues pruned to eliminate duplicates Z: 22 36.064 2.130 1.173 0.651 0.952 0.762 CB 1.551 22 residues pruned to eliminate duplicates Z: 33 30.098 2.059 1.074 0.582 0.875 0.562 CB 1.316 33 residues pruned to eliminate duplicates Z: 43 52.132 2.137 1.155 0.701 0.976 0.786 CB 1.489 43 residues pruned to eliminate duplicates Z: 66 67.309 2.258 1.096 0.596 0.969 0.692 CB 1.660 66 residues pruned to eliminate duplicates Z: 15 31.294 2.218 1.020 0.680 0.929 0.857 CA 1.703 15 residues pruned to eliminate duplicates Z: 19 24.318 2.094 0.837 0.466 0.944 0.722 CB 1.634 19 residues pruned to eliminate duplicates Z: 60 66.327 2.294 1.095 0.630 0.983 0.746 CB 1.618 60 residues pruned to eliminate duplicates Z: 6 4.552 1.926 0.220 0.784 0.600 0.600 CA 1.124 6 residues pruned to eliminate duplicates Z: 32 42.473 2.289 0.916 0.561 0.968 0.710 CB 1.694 32 residues pruned to eliminate duplicates Z: 14 20.842 2.115 0.747 0.711 0.846 0.538 CB 1.527 14 residues pruned to eliminate duplicates Z: 18 27.780 2.090 0.899 0.485 1.000 0.588 CA 1.723 24 residues pruned to eliminate duplicates Z: 15 21.345 1.930 1.260 0.618 0.786 0.643 CB 1.488 15 residues pruned to eliminate duplicates Z: 39 45.948 2.208 1.207 0.569 0.921 0.605 CB 1.553 39 residues pruned to eliminate duplicates Z: 17 27.795 1.877 1.056 0.894 0.938 0.688 CB 1.377 17 residues pruned to eliminate duplicates Z: 14 37.143 2.168 1.116 0.918 1.000 0.769 CA 1.584 14 residues pruned to eliminate duplicates Z: 35 31.932 2.114 1.116 0.444 0.853 0.618 CB 1.521 35 residues pruned to eliminate duplicates Z: 20 15.216 1.998 0.861 0.500 0.789 0.526 CB 1.190 20 residues pruned to eliminate duplicates Z: 15 11.991 1.904 0.923 0.380 0.786 0.571 CB 1.266 Z: 54 40.341 2.010 1.029 0.528 0.943 0.547 CB 1.401 41 residues pruned to eliminate duplicates Z: 57 53.482 2.141 0.905 0.640 1.000 0.768 CB 1.537 57 residues pruned to eliminate duplicates Z: 59 62.020 2.255 1.012 0.618 0.966 0.759 CA 1.663 59 residues pruned to eliminate duplicates Z: 58 57.631 2.187 1.031 0.638 1.000 0.737 CB 1.511 58 residues pruned to eliminate duplicates Z: 119 87.796 2.228 1.092 0.606 0.949 0.695 CB 1.652 134 residues pruned to eliminate duplicates Z: 13 11.410 1.775 0.314 0.856 0.833 0.667 CB 1.250 13 residues pruned to eliminate duplicates Z: 26 28.233 2.026 0.980 0.690 0.880 0.560 CB 1.344 26 residues pruned to eliminate duplicates Z: 38 36.449 2.088 0.843 0.643 0.919 0.568 CB 1.483 38 residues pruned to eliminate duplicates Z: 7 4.461 1.492 0.016 0.699 0.833 0.833 CB 1.203 Z: 107 81.546 2.221 1.036 0.628 0.972 0.698 CB 1.597 107 residues pruned to eliminate duplicates Z: 55 56.755 2.151 0.883 0.678 1.000 0.759 CB 1.619 55 residues pruned to eliminate duplicates Z: 9 12.401 1.898 0.827 0.814 1.000 0.875 CB 0.962 9 residues pruned to eliminate duplicates Z: 109 86.337 2.217 1.095 0.645 0.963 0.704 CB 1.622 109 residues pruned to eliminate duplicates Z: 60 59.703 2.207 0.998 0.642 0.966 0.729 CB 1.598 60 residues pruned to eliminate duplicates Z: 8 4.324 1.454 0.441 0.283 0.857 0.571 CA 1.162 8 residues pruned to eliminate duplicates Z: 13 20.555 2.051 0.820 0.451 1.000 0.750 CB 1.671 13 residues pruned to eliminate duplicates Z: 15 17.045 1.963 0.918 0.448 0.857 0.500 CB 1.490 15 residues pruned to eliminate duplicates Z: 62 54.144 2.125 0.961 0.599 0.934 0.705 CB 1.620 62 residues pruned to eliminate duplicates Z: 18 26.804 2.113 0.866 0.535 0.941 0.647 CB 1.692 18 residues pruned to eliminate duplicates Z: 23 30.466 2.001 1.170 0.784 0.909 0.818 CB 1.282 Z: 7 2.510 1.682 0.080 0.378 0.833 0.500 CB 0.771 Z: 20 14.659 1.768 1.020 0.424 0.789 0.526 CB 1.291 20 residues pruned to eliminate duplicates Z: 30 34.496 2.088 0.983 0.671 0.862 0.483 CB 1.532 30 residues pruned to eliminate duplicates Z: 11 8.091 1.877 0.363 0.346 0.900 0.500 CB 1.313 11 residues pruned to eliminate duplicates Z: 12 18.617 1.794 0.834 0.766 1.000 0.545 CB 1.348 12 residues pruned to eliminate duplicates Z: 64 62.888 2.179 1.058 0.620 0.984 0.794 CB 1.604 69 residues pruned to eliminate duplicates Z: 10 16.575 1.939 0.733 0.888 0.889 0.667 CA 1.333 10 residues pruned to eliminate duplicates Z: 6 5.738 1.858 -0.255 0.777 1.000 0.800 N 1.452 Z: 9 2.904 1.650 0.577 0.214 0.625 0.375 CB 0.884 9 residues pruned to eliminate duplicates Z: 15 28.871 1.955 1.241 0.852 0.929 0.857 CB 1.403 15 residues pruned to eliminate duplicates Z: 9 12.644 1.918 0.808 0.573 1.000 0.625 CB 1.201 9 residues pruned to eliminate duplicates Z: 59 61.601 2.250 1.052 0.627 0.948 0.690 CB 1.640 59 residues pruned to eliminate duplicates Z: 14 18.432 1.960 0.735 0.680 0.923 0.692 CB 1.380 14 residues pruned to eliminate duplicates Z: 13 27.025 2.128 1.363 0.722 0.917 0.750 CB 1.385 13 residues pruned to eliminate duplicates Z: 12 17.043 1.880 0.761 0.702 0.909 0.636 CB 1.421 12 residues pruned to eliminate duplicates Z: 8 22.214 2.057 1.043 0.907 1.000 0.857 CA 1.420 8 residues pruned to eliminate duplicates Z: 27 27.797 2.237 0.886 0.489 0.846 0.654 CB 1.543 27 residues pruned to eliminate duplicates Z: 8 10.370 1.859 0.423 0.821 0.857 0.571 CB 1.308 8 residues pruned to eliminate duplicates Z: 19 15.236 1.915 0.595 0.448 0.889 0.389 CB 1.395 19 residues pruned to eliminate duplicates 6 0.935 1.177 0.208 0.301 0.600 0.400 N 0.611 ? Z: 40 47.712 2.195 0.931 0.697 0.949 0.718 CB 1.588 40 residues pruned to eliminate duplicates Z: 19 16.414 1.968 1.184 0.494 0.833 0.500 CB 1.087 19 residues pruned to eliminate duplicates Z: 35 30.366 2.047 0.882 0.651 0.824 0.471 CB 1.426 35 residues pruned to eliminate duplicates Z: 10 5.612 1.535 0.232 0.617 0.889 0.889 CB 0.997 Z: 61 69.180 2.296 1.140 0.649 0.967 0.700 CB 1.636 61 residues pruned to eliminate duplicates Z: 14 17.489 1.845 1.122 0.622 0.846 0.692 CA 1.305 14 residues pruned to eliminate duplicates Z: 21 21.847 2.029 0.979 0.677 0.850 0.650 CB 1.216 15 residues pruned to eliminate duplicates Z: 6 3.355 1.301 0.518 0.596 1.000 0.800 CB 0.693 Z: 69 50.495 2.168 0.834 0.575 0.926 0.676 CB 1.546 69 residues pruned to eliminate duplicates Z: 16 22.068 1.919 0.950 0.770 0.933 0.600 CB 1.285 16 residues pruned to eliminate duplicates Z: 41 46.228 2.203 1.077 0.592 0.950 0.800 CB 1.540 41 residues pruned to eliminate duplicates 8 1.998 1.400 0.177 0.203 0.857 0.429 CB 0.761 ? Z: 25 23.977 2.057 0.993 0.526 0.917 0.625 CB 1.269 25 residues pruned to eliminate duplicates Z: 7 2.873 1.687 0.282 0.654 0.833 0.333 CB 0.564 Z: 18 13.704 1.950 0.743 0.307 0.882 0.471 CB 1.374 18 residues pruned to eliminate duplicates 6 1.830 1.272 0.310 0.376 0.600 0.400 N 0.934 ? Z: 45 53.048 2.170 1.082 0.642 0.955 0.591 CB 1.624 45 residues pruned to eliminate duplicates Z: 19 29.234 1.938 1.275 0.665 0.944 0.889 CA 1.420 7 residues pruned to eliminate duplicates Z: 13 8.668 1.911 0.641 0.235 0.833 0.500 CB 1.303 13 residues pruned to eliminate duplicates Z: 9 24.982 1.913 1.362 0.820 1.000 0.375 CB 1.480 9 residues pruned to eliminate duplicates Z: 7 5.751 1.445 0.464 0.694 0.833 0.667 CB 1.116 Z: 55 52.131 2.197 0.796 0.639 0.981 0.778 CB 1.609 55 residues pruned to eliminate duplicates Z: 14 32.646 2.179 1.053 0.927 1.000 0.846 CB 1.418 14 residues pruned to eliminate duplicates 6 1.345 1.271 -0.194 0.234 1.000 0.400 CA 0.799 ? Z: 6 2.584 1.463 -0.018 0.565 0.800 0.600 CB 0.945 Z: 13 18.115 1.960 0.462 0.810 1.000 0.750 CB 1.393 13 residues pruned to eliminate duplicates Z: 14 28.776 2.026 1.146 0.826 0.923 0.692 CB 1.500 14 residues pruned to eliminate duplicates Z: 22 39.160 2.216 1.332 0.602 0.952 0.857 CB 1.575 22 residues pruned to eliminate duplicates Z: 58 55.750 2.115 1.128 0.631 0.965 0.772 CB 1.503 58 residues pruned to eliminate duplicates Z: 7 7.113 1.878 0.300 0.752 0.833 0.667 CA 1.140 7 residues pruned to eliminate duplicates 504 residues left after pruning, divided into chains as follows: A: 203 B: 9 C: 81 D: 14 E: 41 F: 115 G: 41 CC for partial structure against native data = 39.86 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.436, Connect. = 0.723 for dens.mod. cycle 1 = 0.300, Contrast = 0.512, Connect. = 0.756 for dens.mod. cycle 2 = 0.300, Contrast = 0.607, Connect. = 0.785 for dens.mod. cycle 3 = 0.300, Contrast = 0.617, Connect. = 0.789 for dens.mod. cycle 4 = 0.300, Contrast = 0.627, Connect. = 0.792 for dens.mod. cycle 5 = 0.300, Contrast = 0.630, Connect. = 0.794 for dens.mod. cycle 6 = 0.300, Contrast = 0.634, Connect. = 0.795 for dens.mod. cycle 7 = 0.300, Contrast = 0.635, Connect. = 0.796 for dens.mod. cycle 8 = 0.300, Contrast = 0.637, Connect. = 0.797 for dens.mod. cycle 9 = 0.300, Contrast = 0.636, Connect. = 0.797 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4135 peaks > 0.5 sigma used to seed fragment search Space for about 746 unique residues taking solvent into account 858 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 103 62.521 2.176 0.924 0.561 0.931 0.627 CB 1.497 B: 15 33.663 2.390 0.738 0.740 1.000 0.429 CA 1.746 C: 62 59.357 2.255 0.893 0.605 0.967 0.738 CB 1.666 D: 64 63.309 2.333 0.909 0.597 0.937 0.730 CB 1.743 E: 6 14.118 2.143 0.478 0.845 1.000 0.800 CA 1.482 6 residues pruned to eliminate duplicates F: 7 5.145 1.989 0.187 0.699 0.667 0.667 CA 1.112 7 residues pruned to eliminate duplicates G: 60 56.240 2.262 0.772 0.606 0.983 0.746 CB 1.681 60 residues pruned to eliminate duplicates H: 16 30.355 2.129 1.195 0.642 0.933 0.867 CA 1.574 I: 15 32.164 2.096 0.983 0.857 0.929 0.786 CA 1.641 15 residues pruned to eliminate duplicates J: 66 56.887 2.243 0.866 0.564 0.938 0.723 CB 1.688 66 residues pruned to eliminate duplicates K: 66 59.692 2.277 0.844 0.591 0.954 0.754 CB 1.694 62 residues pruned to eliminate duplicates L: 65 66.161 2.311 1.046 0.595 0.953 0.734 CB 1.675 64 residues pruned to eliminate duplicates M: 64 59.530 2.270 0.854 0.574 0.968 0.619 CB 1.714 64 residues pruned to eliminate duplicates N: 68 63.119 2.258 0.938 0.590 0.970 0.791 CB 1.666 66 residues pruned to eliminate duplicates O: 103 77.006 2.241 1.122 0.619 0.912 0.657 CB 1.571 31 residues pruned to eliminate duplicates P: 14 32.902 2.068 1.316 0.735 0.923 0.769 CB 1.672 Q: 16 29.347 2.285 0.687 0.755 0.933 0.667 CA 1.679 16 residues pruned to eliminate duplicates R: 15 31.451 2.336 0.574 0.793 1.000 0.643 CA 1.768 15 residues pruned to eliminate duplicates S: 66 60.324 2.314 0.850 0.592 0.954 0.769 CB 1.678 66 residues pruned to eliminate duplicates T: 15 29.302 2.035 0.898 0.872 0.929 0.643 CB 1.591 U: 76 68.284 2.293 1.012 0.585 0.933 0.640 CB 1.687 76 residues pruned to eliminate duplicates V: 37 51.440 2.254 1.164 0.694 0.917 0.528 CB 1.607 W: 68 58.499 2.242 0.797 0.582 0.985 0.731 CB 1.664 68 residues pruned to eliminate duplicates X: 61 67.294 2.358 1.048 0.600 0.950 0.733 CB 1.723 61 residues pruned to eliminate duplicates Y: 36 48.692 2.229 1.168 0.686 0.886 0.629 CB 1.622 15 residues pruned to eliminate duplicates Z: 67 62.018 2.263 0.940 0.601 0.955 0.712 CB 1.655 67 residues pruned to eliminate duplicates Z: 65 59.958 2.244 0.871 0.624 0.984 0.734 CB 1.613 Z: 15 25.590 2.006 1.156 0.817 0.857 0.786 CA 1.400 15 residues pruned to eliminate duplicates Z: 16 26.819 2.110 0.590 0.909 1.000 0.867 CA 1.465 16 residues pruned to eliminate duplicates Z: 13 39.356 2.197 1.699 0.768 0.917 0.833 CB 1.648 13 residues pruned to eliminate duplicates Z: 13 23.444 2.079 1.138 0.761 0.917 0.833 CB 1.317 11 residues pruned to eliminate duplicates Z: 15 36.109 2.014 1.170 0.901 1.000 0.786 CB 1.576 15 residues pruned to eliminate duplicates Z: 15 36.353 2.105 0.992 0.891 1.000 0.857 CA 1.665 Z: 40 47.975 2.106 1.104 0.693 0.897 0.615 CA 1.620 29 residues pruned to eliminate duplicates Z: 68 66.781 2.301 0.965 0.582 0.985 0.701 CB 1.693 68 residues pruned to eliminate duplicates Z: 28 46.726 2.211 1.240 0.745 0.963 0.593 CB 1.515 30 residues pruned to eliminate duplicates Z: 15 29.589 2.066 0.923 0.896 0.929 0.857 CA 1.537 15 residues pruned to eliminate duplicates Z: 65 65.600 2.331 1.013 0.586 0.953 0.703 CB 1.688 65 residues pruned to eliminate duplicates Z: 15 25.225 2.143 0.511 0.931 0.929 0.857 CA 1.566 15 residues pruned to eliminate duplicates Z: 65 58.607 2.260 0.817 0.589 0.984 0.703 CB 1.664 65 residues pruned to eliminate duplicates Z: 13 29.482 2.140 0.956 0.903 0.917 0.833 CA 1.581 13 residues pruned to eliminate duplicates Z: 15 29.768 2.044 1.065 0.884 1.000 0.786 CB 1.362 15 residues pruned to eliminate duplicates Z: 65 65.483 2.238 0.978 0.605 0.984 0.672 CB 1.701 64 residues pruned to eliminate duplicates Z: 14 33.418 2.124 1.022 0.925 1.000 0.923 CA 1.515 14 residues pruned to eliminate duplicates Z: 69 64.764 2.245 0.986 0.607 0.971 0.765 CB 1.639 65 residues pruned to eliminate duplicates Z: 66 68.345 2.328 0.992 0.584 0.969 0.662 CB 1.740 66 residues pruned to eliminate duplicates Z: 14 34.017 2.357 0.665 0.826 1.000 0.615 CA 1.814 14 residues pruned to eliminate duplicates Z: 60 60.116 2.237 0.918 0.646 0.983 0.797 CB 1.618 60 residues pruned to eliminate duplicates Z: 12 24.602 2.036 1.182 0.756 0.909 0.727 CA 1.463 12 residues pruned to eliminate duplicates Z: 61 57.052 2.265 0.793 0.594 0.983 0.700 CB 1.685 61 residues pruned to eliminate duplicates Z: 61 63.722 2.303 0.990 0.614 0.950 0.733 CB 1.697 61 residues pruned to eliminate duplicates Z: 63 59.844 2.274 0.874 0.577 0.952 0.726 CB 1.739 63 residues pruned to eliminate duplicates Z: 33 45.063 2.167 1.245 0.619 0.938 0.562 CB 1.560 33 residues pruned to eliminate duplicates Z: 66 58.213 2.236 0.906 0.606 0.954 0.738 CB 1.606 66 residues pruned to eliminate duplicates Z: 77 65.008 2.265 1.112 0.532 0.934 0.684 CB 1.616 78 residues pruned to eliminate duplicates Z: 69 64.855 2.266 1.006 0.599 0.985 0.735 CB 1.597 69 residues pruned to eliminate duplicates Z: 64 63.413 2.329 0.878 0.617 0.952 0.778 CB 1.718 64 residues pruned to eliminate duplicates Z: 55 69.998 2.380 0.973 0.636 1.000 0.741 CB 1.786 55 residues pruned to eliminate duplicates Z: 65 63.232 2.276 0.896 0.602 0.984 0.750 CB 1.689 65 residues pruned to eliminate duplicates Z: 65 63.884 2.304 0.968 0.601 0.953 0.625 CB 1.679 64 residues pruned to eliminate duplicates Z: 17 16.625 1.984 0.150 0.894 0.938 0.750 CA 1.394 17 residues pruned to eliminate duplicates Z: 62 52.263 2.219 0.767 0.595 0.967 0.705 CB 1.611 62 residues pruned to eliminate duplicates Z: 17 26.445 2.205 0.749 0.786 0.875 0.438 CA 1.523 17 residues pruned to eliminate duplicates Z: 13 31.254 2.126 1.201 0.827 1.000 0.750 CB 1.453 13 residues pruned to eliminate duplicates Z: 58 66.408 2.317 0.985 0.646 0.982 0.719 CA 1.698 58 residues pruned to eliminate duplicates Z: 65 66.514 2.327 0.977 0.607 0.969 0.734 CB 1.685 64 residues pruned to eliminate duplicates Z: 15 26.611 2.340 0.601 0.737 1.000 0.571 CA 1.534 15 residues pruned to eliminate duplicates Z: 26 43.535 2.220 1.143 0.688 0.920 0.440 CB 1.674 26 residues pruned to eliminate duplicates Z: 67 69.252 2.324 1.063 0.602 0.970 0.727 CB 1.664 67 residues pruned to eliminate duplicates Z: 16 25.453 2.058 0.610 0.922 0.933 0.933 CA 1.494 16 residues pruned to eliminate duplicates Z: 26 41.392 2.157 1.026 0.702 0.920 0.800 CA 1.714 26 residues pruned to eliminate duplicates Z: 26 47.796 2.281 1.274 0.739 0.920 0.640 CB 1.617 26 residues pruned to eliminate duplicates Z: 65 58.218 2.222 0.851 0.579 0.984 0.672 CB 1.666 65 residues pruned to eliminate duplicates Z: 16 27.610 2.107 0.580 0.924 1.000 0.867 CA 1.503 16 residues pruned to eliminate duplicates Z: 15 32.745 2.153 0.782 0.936 1.000 0.786 CA 1.588 15 residues pruned to eliminate duplicates Z: 14 31.815 2.054 0.934 0.896 1.000 0.769 CA 1.591 14 residues pruned to eliminate duplicates Z: 64 58.723 2.252 0.922 0.593 0.937 0.683 CB 1.670 64 residues pruned to eliminate duplicates Z: 62 68.274 2.347 1.016 0.584 0.984 0.754 CA 1.733 62 residues pruned to eliminate duplicates Z: 66 58.837 2.258 0.814 0.580 0.969 0.677 CB 1.702 66 residues pruned to eliminate duplicates Z: 16 24.629 2.215 0.486 0.800 0.933 0.667 CA 1.592 16 residues pruned to eliminate duplicates Z: 36 43.377 2.185 1.085 0.692 0.857 0.686 CB 1.576 37 residues pruned to eliminate duplicates Z: 15 24.036 2.153 0.381 0.942 1.000 0.929 CB 1.498 15 residues pruned to eliminate duplicates Z: 64 64.594 2.284 0.993 0.615 0.968 0.810 CB 1.656 64 residues pruned to eliminate duplicates Z: 12 21.572 2.238 0.895 0.824 0.727 0.545 CA 1.593 12 residues pruned to eliminate duplicates Z: 11 25.687 2.127 1.204 0.697 0.900 0.800 CA 1.609 11 residues pruned to eliminate duplicates Z: 61 62.540 2.311 0.924 0.595 0.967 0.733 CB 1.716 62 residues pruned to eliminate duplicates Z: 66 61.515 2.315 0.902 0.586 0.954 0.723 CB 1.674 66 residues pruned to eliminate duplicates Z: 26 44.940 2.263 1.247 0.734 0.920 0.640 CB 1.556 26 residues pruned to eliminate duplicates Z: 14 28.409 2.225 0.521 0.928 1.000 0.846 CB 1.631 14 residues pruned to eliminate duplicates Z: 68 56.672 2.228 0.831 0.581 0.955 0.657 CB 1.643 68 residues pruned to eliminate duplicates Z: 16 23.533 1.865 1.367 0.682 0.933 0.733 CB 1.248 16 residues pruned to eliminate duplicates Z: 13 20.732 2.089 0.706 0.806 0.917 0.583 CB 1.403 13 residues pruned to eliminate duplicates Z: 17 23.823 2.159 0.560 0.758 0.875 0.562 CA 1.607 17 residues pruned to eliminate duplicates Z: 58 51.231 2.181 1.004 0.570 0.912 0.561 CB 1.591 45 residues pruned to eliminate duplicates Z: 16 28.052 2.279 0.671 0.748 0.933 0.667 CB 1.633 16 residues pruned to eliminate duplicates Z: 16 23.301 1.967 0.490 0.915 1.000 0.933 CA 1.451 16 residues pruned to eliminate duplicates Z: 18 16.334 1.938 0.257 0.820 0.882 0.647 CA 1.396 18 residues pruned to eliminate duplicates Z: 39 39.070 2.158 1.004 0.688 0.868 0.658 CB 1.420 39 residues pruned to eliminate duplicates Z: 64 69.708 2.351 1.135 0.600 0.937 0.730 CB 1.699 64 residues pruned to eliminate duplicates Z: 9 16.118 2.093 0.269 0.865 1.000 0.500 CB 1.571 9 residues pruned to eliminate duplicates Z: 52 42.906 2.184 1.047 0.543 0.843 0.412 CB 1.528 52 residues pruned to eliminate duplicates Z: 86 70.235 2.226 1.069 0.597 0.918 0.612 CB 1.643 86 residues pruned to eliminate duplicates Z: 39 46.237 2.179 1.132 0.685 0.868 0.684 CB 1.569 39 residues pruned to eliminate duplicates Z: 15 35.194 2.099 1.146 0.899 1.000 0.786 CB 1.493 15 residues pruned to eliminate duplicates Z: 6 15.974 1.983 0.956 0.874 1.000 1.000 CA 1.340 6 residues pruned to eliminate duplicates Z: 14 25.937 2.033 0.839 0.841 1.000 0.769 CB 1.434 14 residues pruned to eliminate duplicates Z: 16 33.738 2.243 0.940 0.741 0.933 0.467 CA 1.728 16 residues pruned to eliminate duplicates Z: 16 26.570 1.942 0.780 0.781 1.000 0.733 CB 1.550 16 residues pruned to eliminate duplicates Z: 15 29.807 2.157 0.592 0.925 1.000 0.857 CA 1.628 15 residues pruned to eliminate duplicates Z: 61 59.180 2.266 0.827 0.608 0.983 0.750 CB 1.694 61 residues pruned to eliminate duplicates Z: 65 60.508 2.226 0.966 0.566 0.938 0.625 CA 1.730 65 residues pruned to eliminate duplicates Z: 15 30.593 2.003 0.936 0.837 0.929 0.857 CA 1.698 15 residues pruned to eliminate duplicates Z: 70 59.795 2.236 0.858 0.603 0.957 0.768 CB 1.643 69 residues pruned to eliminate duplicates Z: 15 35.233 2.056 1.052 0.907 1.000 0.857 CA 1.587 15 residues pruned to eliminate duplicates Z: 61 58.103 2.268 0.922 0.590 0.950 0.700 CB 1.662 62 residues pruned to eliminate duplicates Z: 14 34.541 2.171 1.152 0.859 1.000 0.692 CB 1.509 14 residues pruned to eliminate duplicates Z: 65 70.670 2.353 1.021 0.590 0.984 0.750 CB 1.731 65 residues pruned to eliminate duplicates Z: 66 59.165 2.287 0.902 0.569 0.938 0.615 CB 1.681 66 residues pruned to eliminate duplicates Z: 56 67.726 2.355 0.953 0.649 0.982 0.764 CB 1.760 56 residues pruned to eliminate duplicates Z: 67 64.030 2.259 0.940 0.599 0.939 0.758 CB 1.742 67 residues pruned to eliminate duplicates Z: 15 30.990 2.232 0.880 0.887 1.000 0.714 CA 1.423 15 residues pruned to eliminate duplicates Z: 14 32.370 2.121 1.178 0.882 1.000 0.923 CB 1.406 14 residues pruned to eliminate duplicates Z: 66 61.525 2.305 0.973 0.569 0.938 0.600 CB 1.672 66 residues pruned to eliminate duplicates Z: 8 20.447 2.188 1.066 0.876 0.857 0.857 CA 1.450 8 residues pruned to eliminate duplicates Z: 17 24.863 2.288 0.540 0.672 0.875 0.562 CB 1.721 17 residues pruned to eliminate duplicates Z: 14 34.223 2.129 1.069 0.903 1.000 0.923 CA 1.537 14 residues pruned to eliminate duplicates Z: 14 30.690 2.071 1.037 0.840 0.923 0.846 CB 1.632 14 residues pruned to eliminate duplicates Z: 102 70.071 2.223 0.972 0.569 0.941 0.594 CB 1.582 103 residues pruned to eliminate duplicates Z: 31 58.110 2.313 1.264 0.720 1.000 0.700 CA 1.660 31 residues pruned to eliminate duplicates Z: 17 23.610 2.197 0.580 0.775 0.812 0.688 CA 1.641 17 residues pruned to eliminate duplicates Z: 66 62.122 2.325 0.919 0.572 0.954 0.631 CB 1.689 66 residues pruned to eliminate duplicates Z: 15 33.898 2.103 1.061 0.882 1.000 0.929 CB 1.512 15 residues pruned to eliminate duplicates Z: 16 20.520 2.070 0.452 0.836 0.933 0.533 CA 1.413 16 residues pruned to eliminate duplicates Z: 44 42.561 2.184 1.193 0.546 0.814 0.674 CB 1.591 42 residues pruned to eliminate duplicates Z: 62 61.318 2.246 0.983 0.594 0.951 0.705 CA 1.695 62 residues pruned to eliminate duplicates Z: 16 29.049 2.104 0.674 0.914 1.000 0.867 CA 1.505 16 residues pruned to eliminate duplicates Z: 101 79.434 2.286 1.048 0.602 0.930 0.640 CB 1.655 101 residues pruned to eliminate duplicates Z: 11 12.013 1.750 1.256 0.445 0.800 0.500 CB 1.273 11 residues pruned to eliminate duplicates Z: 16 13.314 1.864 0.407 0.754 0.733 0.600 CA 1.426 16 residues pruned to eliminate duplicates Z: 26 36.997 2.148 1.065 0.676 0.880 0.800 CB 1.612 26 residues pruned to eliminate duplicates Z: 14 34.177 2.104 1.397 0.734 0.923 0.692 CA 1.650 14 residues pruned to eliminate duplicates Z: 16 32.417 2.239 0.927 0.875 0.933 0.733 CA 1.512 16 residues pruned to eliminate duplicates Z: 64 65.395 2.339 0.950 0.602 0.952 0.730 CB 1.721 64 residues pruned to eliminate duplicates Z: 15 33.240 2.049 1.059 0.886 1.000 0.857 CB 1.520 15 residues pruned to eliminate duplicates Z: 37 44.596 2.187 0.941 0.715 0.917 0.861 CB 1.572 37 residues pruned to eliminate duplicates Z: 15 35.853 2.006 1.165 0.884 1.000 0.857 CB 1.594 15 residues pruned to eliminate duplicates Z: 17 19.418 2.054 0.493 0.769 0.812 0.562 CA 1.535 17 residues pruned to eliminate duplicates Z: 27 52.322 2.374 1.247 0.769 0.962 0.808 CA 1.577 27 residues pruned to eliminate duplicates Z: 15 35.976 2.066 1.043 0.895 1.000 0.786 CA 1.633 15 residues pruned to eliminate duplicates Z: 59 74.354 2.322 1.156 0.639 0.983 0.741 CB 1.742 59 residues pruned to eliminate duplicates Z: 45 37.388 2.104 0.887 0.576 0.886 0.500 CB 1.489 46 residues pruned to eliminate duplicates Z: 12 13.714 1.899 0.520 0.748 0.818 0.727 CB 1.402 12 residues pruned to eliminate duplicates Z: 61 63.462 2.322 0.934 0.613 0.967 0.767 CB 1.695 61 residues pruned to eliminate duplicates Z: 64 63.123 2.346 0.871 0.595 0.968 0.762 CB 1.709 64 residues pruned to eliminate duplicates Z: 66 69.670 2.302 1.055 0.597 0.969 0.785 CB 1.719 66 residues pruned to eliminate duplicates Z: 16 31.729 1.945 1.092 0.881 1.000 0.867 CA 1.458 16 residues pruned to eliminate duplicates Z: 12 25.230 2.103 1.198 0.563 1.000 0.818 CA 1.548 12 residues pruned to eliminate duplicates Z: 14 31.182 2.132 0.865 0.873 1.000 0.846 CB 1.584 14 residues pruned to eliminate duplicates Z: 58 73.152 2.367 1.056 0.628 1.000 0.719 CA 1.765 58 residues pruned to eliminate duplicates Z: 45 50.211 2.184 0.832 0.669 0.977 0.795 CB 1.656 45 residues pruned to eliminate duplicates Z: 67 66.020 2.242 1.050 0.624 0.970 0.742 CB 1.622 71 residues pruned to eliminate duplicates Z: 11 29.826 2.337 1.394 0.674 0.900 0.800 CA 1.595 11 residues pruned to eliminate duplicates Z: 14 28.026 2.093 1.122 0.806 0.923 0.923 CB 1.451 14 residues pruned to eliminate duplicates Z: 56 63.895 2.291 0.967 0.662 0.982 0.745 CB 1.676 56 residues pruned to eliminate duplicates Z: 12 18.439 1.764 0.775 0.890 1.000 0.727 CB 1.277 12 residues pruned to eliminate duplicates Z: 14 28.774 2.108 0.994 0.889 0.923 0.846 CB 1.481 14 residues pruned to eliminate duplicates Z: 18 16.845 1.915 0.412 0.800 0.882 0.471 CA 1.317 18 residues pruned to eliminate duplicates Z: 17 20.347 2.104 0.319 0.792 0.938 0.750 CA 1.514 17 residues pruned to eliminate duplicates Z: 12 30.614 2.202 0.940 0.887 1.000 0.636 CB 1.558 12 residues pruned to eliminate duplicates Z: 50 56.928 2.368 0.917 0.629 0.939 0.735 CA 1.690 50 residues pruned to eliminate duplicates Z: 15 31.455 2.030 0.910 0.817 1.000 0.714 CA 1.646 15 residues pruned to eliminate duplicates Z: 14 34.261 2.099 1.096 0.903 1.000 1.000 CB 1.540 14 residues pruned to eliminate duplicates Z: 84 58.256 2.146 0.887 0.562 0.976 0.542 CB 1.523 84 residues pruned to eliminate duplicates Z: 23 30.446 2.117 0.999 0.812 0.909 0.682 CB 1.286 23 residues pruned to eliminate duplicates Z: 71 56.271 2.201 0.958 0.533 0.943 0.643 CB 1.602 71 residues pruned to eliminate duplicates Z: 16 22.029 2.001 0.494 0.757 1.000 0.467 CA 1.513 16 residues pruned to eliminate duplicates Z: 17 23.148 2.077 0.547 0.766 0.938 0.500 CA 1.518 17 residues pruned to eliminate duplicates Z: 22 32.495 2.055 0.833 0.837 1.000 0.571 CB 1.408 22 residues pruned to eliminate duplicates Z: 18 26.964 2.194 0.808 0.559 0.941 0.706 CB 1.654 18 residues pruned to eliminate duplicates Z: 57 62.395 2.342 0.996 0.622 0.929 0.714 CB 1.712 57 residues pruned to eliminate duplicates Z: 13 26.217 2.103 1.297 0.659 0.917 0.750 CB 1.475 12 residues pruned to eliminate duplicates Z: 15 23.352 2.110 0.509 0.906 0.929 0.929 CA 1.502 15 residues pruned to eliminate duplicates Z: 42 27.467 2.041 0.903 0.568 0.829 0.488 CB 1.247 42 residues pruned to eliminate duplicates Z: 11 28.391 2.032 1.507 0.683 0.900 0.700 C 1.656 11 residues pruned to eliminate duplicates Z: 23 30.414 1.942 0.935 0.823 0.955 0.773 CB 1.367 23 residues pruned to eliminate duplicates Z: 14 26.303 2.064 0.789 0.815 0.923 0.692 CA 1.628 14 residues pruned to eliminate duplicates Z: 14 26.996 2.037 1.155 0.728 0.923 0.846 CA 1.505 14 residues pruned to eliminate duplicates Z: 15 24.486 2.236 0.507 0.914 0.929 0.857 CA 1.480 15 residues pruned to eliminate duplicates Z: 16 33.039 2.241 0.771 0.770 1.000 0.533 CA 1.692 16 residues pruned to eliminate duplicates Z: 49 61.198 2.356 1.011 0.640 0.938 0.771 CB 1.744 49 residues pruned to eliminate duplicates Z: 15 34.753 2.253 1.023 0.919 0.929 0.786 CA 1.547 15 residues pruned to eliminate duplicates Z: 67 63.948 2.243 0.977 0.593 0.955 0.682 CA 1.702 67 residues pruned to eliminate duplicates Z: 15 32.280 2.160 0.973 0.904 0.929 0.714 CA 1.553 15 residues pruned to eliminate duplicates Z: 12 25.480 2.140 0.998 0.709 0.909 0.818 CB 1.635 12 residues pruned to eliminate duplicates Z: 17 23.277 2.238 0.614 0.761 0.812 0.625 CA 1.572 17 residues pruned to eliminate duplicates Z: 14 31.280 2.372 0.565 0.776 1.000 0.692 CA 1.831 14 residues pruned to eliminate duplicates Z: 22 34.752 2.125 0.898 0.851 0.952 0.714 CB 1.461 22 residues pruned to eliminate duplicates Z: 9 10.186 1.826 1.066 0.487 0.750 0.625 CB 1.289 9 residues pruned to eliminate duplicates Z: 18 20.201 1.939 0.495 0.824 0.882 0.529 CA 1.447 18 residues pruned to eliminate duplicates Z: 63 56.679 2.232 0.859 0.599 0.968 0.742 CB 1.632 63 residues pruned to eliminate duplicates Z: 16 31.041 2.066 1.015 0.933 1.000 0.867 CB 1.343 16 residues pruned to eliminate duplicates Z: 16 27.620 2.091 0.589 0.909 1.000 0.800 CA 1.523 16 residues pruned to eliminate duplicates Z: 51 59.343 2.327 1.016 0.633 0.940 0.700 CA 1.680 51 residues pruned to eliminate duplicates Z: 11 5.340 1.923 0.676 0.239 0.500 0.200 CB 1.419 11 residues pruned to eliminate duplicates Z: 64 65.650 2.321 0.925 0.607 0.968 0.746 CB 1.727 64 residues pruned to eliminate duplicates Z: 11 23.378 2.110 0.874 0.757 0.900 0.900 CB 1.652 11 residues pruned to eliminate duplicates Z: 9 21.655 1.949 1.197 0.829 1.000 0.750 CB 1.345 9 residues pruned to eliminate duplicates Z: 50 46.227 2.167 0.711 0.629 0.980 0.673 CB 1.610 50 residues pruned to eliminate duplicates Z: 27 53.010 2.221 1.323 0.740 0.962 0.615 CB 1.689 27 residues pruned to eliminate duplicates Z: 13 30.590 2.168 1.080 0.847 0.917 0.917 CB 1.586 13 residues pruned to eliminate duplicates Z: 23 32.342 2.044 1.037 0.804 0.955 0.500 CB 1.330 23 residues pruned to eliminate duplicates Z: 22 29.490 2.095 1.093 0.500 0.905 0.667 CB 1.622 22 residues pruned to eliminate duplicates Z: 14 32.537 2.096 0.922 0.906 1.000 0.846 CB 1.592 14 residues pruned to eliminate duplicates Z: 62 57.687 2.232 0.908 0.603 0.951 0.770 CB 1.654 62 residues pruned to eliminate duplicates Z: 68 59.829 2.228 0.961 0.585 0.940 0.657 CB 1.640 68 residues pruned to eliminate duplicates Z: 15 21.991 2.134 0.356 0.896 0.929 0.571 CA 1.568 15 residues pruned to eliminate duplicates Z: 36 48.820 2.212 1.144 0.691 0.914 0.657 CB 1.598 36 residues pruned to eliminate duplicates Z: 16 30.274 2.218 1.028 0.884 0.867 0.867 CA 1.449 16 residues pruned to eliminate duplicates Z: 65 63.264 2.252 1.007 0.603 0.953 0.750 CB 1.664 65 residues pruned to eliminate duplicates Z: 67 68.306 2.326 1.058 0.579 0.955 0.682 CA 1.705 67 residues pruned to eliminate duplicates Z: 64 56.563 2.238 0.875 0.589 0.905 0.651 CB 1.723 64 residues pruned to eliminate duplicates Z: 16 24.278 2.283 0.469 0.781 0.933 0.667 CA 1.563 16 residues pruned to eliminate duplicates Z: 16 36.590 2.234 1.133 0.933 0.933 0.733 CA 1.482 16 residues pruned to eliminate duplicates Z: 61 54.255 2.247 0.805 0.574 0.967 0.717 CB 1.663 61 residues pruned to eliminate duplicates Z: 15 31.860 2.037 1.064 0.892 1.000 0.857 CB 1.455 15 residues pruned to eliminate duplicates Z: 17 24.897 2.045 0.745 0.868 0.938 0.750 CA 1.360 17 residues pruned to eliminate duplicates Z: 32 34.366 2.119 1.114 0.618 0.871 0.581 CB 1.415 32 residues pruned to eliminate duplicates Z: 14 36.123 2.306 0.971 0.937 1.000 0.923 CA 1.534 14 residues pruned to eliminate duplicates Z: 15 19.179 2.080 0.459 0.776 0.929 0.571 CB 1.426 15 residues pruned to eliminate duplicates Z: 22 38.239 2.083 1.188 0.795 0.905 0.619 CB 1.563 22 residues pruned to eliminate duplicates Z: 15 24.887 2.204 0.465 0.897 1.000 0.857 CB 1.475 15 residues pruned to eliminate duplicates Z: 15 21.210 2.008 0.485 0.869 1.000 0.857 CB 1.389 15 residues pruned to eliminate duplicates Z: 11 24.348 2.295 0.582 0.845 0.900 0.600 CA 1.753 11 residues pruned to eliminate duplicates Z: 55 71.354 2.352 1.069 0.652 1.000 0.704 CA 1.731 55 residues pruned to eliminate duplicates Z: 15 35.667 2.131 1.082 0.930 1.000 0.857 CB 1.502 15 residues pruned to eliminate duplicates Z: 16 28.367 2.133 0.796 0.912 0.933 0.800 CB 1.451 16 residues pruned to eliminate duplicates Z: 17 27.191 1.974 0.812 0.903 0.938 0.750 CA 1.445 17 residues pruned to eliminate duplicates Z: 13 31.247 2.195 0.913 0.895 1.000 0.833 CB 1.539 13 residues pruned to eliminate duplicates Z: 23 26.953 1.956 0.899 0.798 0.909 0.591 CB 1.310 23 residues pruned to eliminate duplicates Z: 105 71.807 2.219 0.957 0.597 0.952 0.760 CB 1.553 102 residues pruned to eliminate duplicates Z: 11 22.926 2.295 0.501 0.825 0.900 0.700 CB 1.764 11 residues pruned to eliminate duplicates Z: 80 75.996 2.293 1.090 0.592 0.962 0.722 CB 1.697 79 residues pruned to eliminate duplicates Z: 8 11.466 2.063 1.192 0.316 0.857 0.571 CB 1.370 8 residues pruned to eliminate duplicates Z: 16 31.897 2.116 0.909 0.930 1.000 0.800 CB 1.426 16 residues pruned to eliminate duplicates Z: 14 28.023 2.130 1.033 0.850 1.000 0.692 CB 1.330 14 residues pruned to eliminate duplicates Z: 11 18.100 1.920 0.835 0.793 0.900 0.700 CA 1.396 11 residues pruned to eliminate duplicates Z: 15 26.094 2.203 0.601 0.940 0.929 0.857 CB 1.479 15 residues pruned to eliminate duplicates Z: 10 11.158 1.902 0.853 0.724 0.778 0.667 CB 1.108 10 residues pruned to eliminate duplicates Z: 23 30.390 2.010 0.925 0.805 0.909 0.591 CB 1.411 23 residues pruned to eliminate duplicates Z: 12 35.749 2.214 1.218 0.892 1.000 1.000 CB 1.576 12 residues pruned to eliminate duplicates Z: 15 38.450 2.116 1.260 0.908 1.000 0.786 CB 1.527 15 residues pruned to eliminate duplicates Z: 122 86.948 2.301 0.924 0.623 0.959 0.744 CB 1.659 175 residues pruned to eliminate duplicates Z: 79 59.505 2.210 0.874 0.597 0.936 0.679 CB 1.585 79 residues pruned to eliminate duplicates Z: 14 27.368 2.352 0.609 0.762 0.923 0.692 CA 1.722 14 residues pruned to eliminate duplicates Z: 15 37.247 2.053 1.179 0.911 1.000 0.714 CB 1.577 15 residues pruned to eliminate duplicates Z: 67 64.390 2.318 0.970 0.586 0.939 0.742 CB 1.702 67 residues pruned to eliminate duplicates Z: 65 63.727 2.303 0.995 0.584 0.953 0.703 CB 1.678 65 residues pruned to eliminate duplicates Z: 67 60.423 2.223 0.881 0.594 0.955 0.727 CB 1.703 67 residues pruned to eliminate duplicates Z: 22 34.338 2.021 0.901 0.859 0.952 0.667 CB 1.507 22 residues pruned to eliminate duplicates Z: 14 16.633 2.037 0.307 0.806 1.000 0.615 CB 1.327 14 residues pruned to eliminate duplicates Z: 62 59.815 2.280 0.865 0.586 0.967 0.672 CB 1.715 62 residues pruned to eliminate duplicates Z: 16 29.968 2.101 0.811 0.919 0.933 0.800 CA 1.536 16 residues pruned to eliminate duplicates Z: 14 25.819 2.169 0.636 0.851 0.923 0.538 CA 1.619 14 residues pruned to eliminate duplicates Z: 11 13.749 2.177 0.143 0.833 0.900 0.500 CA 1.457 11 residues pruned to eliminate duplicates Z: 14 25.722 2.139 0.990 0.860 0.923 0.615 CB 1.335 14 residues pruned to eliminate duplicates Z: 10 17.558 2.262 0.649 0.699 0.889 0.556 CA 1.472 10 residues pruned to eliminate duplicates Z: 19 23.389 2.087 0.709 0.515 0.944 0.722 CB 1.613 19 residues pruned to eliminate duplicates Z: 60 62.099 2.266 0.938 0.634 0.983 0.712 CB 1.651 60 residues pruned to eliminate duplicates Z: 14 30.863 2.090 1.038 0.888 1.000 0.923 CA 1.448 14 residues pruned to eliminate duplicates Z: 65 64.940 2.335 0.994 0.589 0.953 0.656 CB 1.680 65 residues pruned to eliminate duplicates Z: 46 31.510 2.059 0.829 0.570 0.867 0.533 CB 1.345 46 residues pruned to eliminate duplicates Z: 15 20.032 2.059 0.395 0.940 1.000 0.929 CB 1.295 15 residues pruned to eliminate duplicates Z: 19 27.729 1.908 1.014 0.847 0.889 0.722 CB 1.420 19 residues pruned to eliminate duplicates Z: 61 57.184 2.223 0.961 0.620 0.950 0.733 CB 1.593 61 residues pruned to eliminate duplicates Z: 41 42.914 2.104 0.979 0.672 0.900 0.575 CB 1.545 41 residues pruned to eliminate duplicates Z: 43 37.581 2.092 0.992 0.646 0.833 0.476 CB 1.457 43 residues pruned to eliminate duplicates Z: 59 58.588 2.283 0.858 0.625 0.948 0.759 CB 1.700 59 residues pruned to eliminate duplicates Z: 15 34.144 2.191 0.838 0.930 1.000 1.000 CB 1.585 15 residues pruned to eliminate duplicates Z: 14 37.647 2.157 1.210 0.897 1.000 0.769 CB 1.568 14 residues pruned to eliminate duplicates Z: 49 39.857 2.085 0.839 0.557 0.917 0.750 CB 1.548 49 residues pruned to eliminate duplicates Z: 16 29.648 2.074 0.839 0.932 1.000 0.733 CB 1.401 16 residues pruned to eliminate duplicates Z: 66 61.753 2.235 0.865 0.595 0.985 0.708 CB 1.704 66 residues pruned to eliminate duplicates Z: 13 23.955 2.235 0.745 0.713 0.833 0.417 CA 1.753 13 residues pruned to eliminate duplicates Z: 66 65.808 2.348 0.976 0.592 0.938 0.723 CB 1.717 66 residues pruned to eliminate duplicates Z: 15 28.479 2.076 0.827 0.899 1.000 0.857 CB 1.435 Z: 10 20.515 2.145 0.821 0.751 0.889 0.556 CB 1.574 Z: 37 41.063 2.152 0.990 0.695 0.861 0.667 CB 1.552 36 residues pruned to eliminate duplicates Z: 16 34.404 2.187 1.196 0.632 0.933 0.733 CA 1.751 16 residues pruned to eliminate duplicates Z: 23 35.125 1.998 0.925 0.833 0.955 0.636 CA 1.530 26 residues pruned to eliminate duplicates Z: 14 29.156 2.036 1.198 0.903 1.000 0.923 CB 1.289 14 residues pruned to eliminate duplicates Z: 24 21.779 2.014 0.604 0.734 0.870 0.478 CB 1.310 25 residues pruned to eliminate duplicates Z: 14 31.621 2.046 1.046 0.852 1.000 0.692 CB 1.551 15 residues pruned to eliminate duplicates Z: 58 61.671 2.287 0.900 0.662 0.982 0.684 CB 1.646 58 residues pruned to eliminate duplicates Z: 16 22.506 2.000 0.815 0.893 0.933 0.667 CB 1.231 16 residues pruned to eliminate duplicates Z: 62 59.324 2.259 0.920 0.574 0.951 0.689 CB 1.715 62 residues pruned to eliminate duplicates Z: 14 31.046 2.168 0.915 0.936 0.923 0.769 CA 1.565 14 residues pruned to eliminate duplicates Z: 16 24.317 2.199 0.437 0.793 0.867 0.600 CA 1.774 16 residues pruned to eliminate duplicates Z: 62 49.357 2.198 0.786 0.558 0.951 0.754 CB 1.601 62 residues pruned to eliminate duplicates Z: 30 31.728 2.118 0.854 0.521 0.897 0.621 CB 1.639 30 residues pruned to eliminate duplicates Z: 16 30.571 2.008 0.885 0.904 1.000 0.867 CB 1.485 16 residues pruned to eliminate duplicates Z: 11 16.089 2.052 0.248 0.887 0.900 0.900 CB 1.592 11 residues pruned to eliminate duplicates Z: 12 14.304 1.902 0.573 0.795 0.818 0.545 CB 1.361 11 residues pruned to eliminate duplicates Z: 15 33.312 2.117 1.143 0.885 0.929 0.786 CB 1.526 15 residues pruned to eliminate duplicates Z: 68 53.982 2.193 0.813 0.595 0.940 0.567 CB 1.611 68 residues pruned to eliminate duplicates Z: 50 59.013 2.355 0.971 0.630 0.939 0.694 CA 1.711 50 residues pruned to eliminate duplicates Z: 10 20.789 2.099 0.729 0.881 1.000 0.889 CB 1.382 12 residues pruned to eliminate duplicates Z: 14 26.090 2.125 0.693 0.783 1.000 0.615 CB 1.567 14 residues pruned to eliminate duplicates Z: 62 52.690 2.238 0.778 0.600 0.934 0.787 CB 1.649 62 residues pruned to eliminate duplicates Z: 16 23.876 1.977 0.586 0.919 1.000 0.867 CA 1.386 16 residues pruned to eliminate duplicates Z: 88 74.659 2.246 1.171 0.603 0.943 0.609 CB 1.579 88 residues pruned to eliminate duplicates Z: 16 28.133 2.049 0.820 0.918 1.000 0.600 CB 1.374 16 residues pruned to eliminate duplicates Z: 65 70.937 2.326 1.031 0.589 0.984 0.688 CB 1.751 65 residues pruned to eliminate duplicates Z: 77 55.864 2.220 0.908 0.539 0.908 0.618 CB 1.604 77 residues pruned to eliminate duplicates Z: 15 26.318 2.084 1.086 0.629 0.929 0.643 CA 1.543 15 residues pruned to eliminate duplicates Z: 40 24.035 2.013 0.912 0.494 0.795 0.436 CB 1.266 27 residues pruned to eliminate duplicates Z: 14 30.524 2.106 0.903 0.826 1.000 0.846 CB 1.592 14 residues pruned to eliminate duplicates Z: 7 6.756 1.920 1.027 0.424 0.667 0.500 CB 1.150 7 residues pruned to eliminate duplicates Z: 46 41.313 2.145 0.999 0.606 0.867 0.622 CB 1.498 46 residues pruned to eliminate duplicates Z: 13 17.573 2.063 0.513 0.794 0.917 0.583 CA 1.370 13 residues pruned to eliminate duplicates Z: 15 33.319 2.360 0.607 0.848 1.000 0.786 CA 1.742 15 residues pruned to eliminate duplicates Z: 64 61.656 2.304 0.871 0.585 0.968 0.714 CB 1.715 64 residues pruned to eliminate duplicates Z: 14 29.833 2.054 0.949 0.875 1.000 0.615 CB 1.503 14 residues pruned to eliminate duplicates Z: 65 66.387 2.333 0.970 0.603 0.969 0.719 CB 1.690 65 residues pruned to eliminate duplicates Z: 64 55.111 2.191 0.874 0.610 0.952 0.698 CB 1.599 64 residues pruned to eliminate duplicates Z: 14 17.972 2.147 0.479 0.743 0.846 0.538 CB 1.492 14 residues pruned to eliminate duplicates Z: 65 66.177 2.277 0.984 0.625 0.953 0.672 CB 1.708 65 residues pruned to eliminate duplicates Z: 17 27.080 2.061 0.910 0.878 0.875 0.750 CB 1.426 17 residues pruned to eliminate duplicates Z: 6 10.934 1.866 1.251 0.625 0.800 0.600 CA 1.294 6 residues pruned to eliminate duplicates Z: 14 26.046 2.145 1.024 0.774 0.923 0.462 CB 1.415 14 residues pruned to eliminate duplicates Z: 36 48.416 2.287 1.063 0.620 0.943 0.857 CB 1.643 36 residues pruned to eliminate duplicates Z: 44 35.883 2.080 0.767 0.655 0.930 0.628 CB 1.385 44 residues pruned to eliminate duplicates Z: 44 54.395 2.244 0.974 0.648 0.977 0.674 CB 1.670 44 residues pruned to eliminate duplicates Z: 92 82.147 2.330 1.053 0.618 0.956 0.714 CB 1.684 74 residues pruned to eliminate duplicates Z: 6 7.935 1.944 0.266 0.728 0.800 0.800 CA 1.468 6 residues pruned to eliminate duplicates Z: 42 55.310 2.255 1.028 0.707 0.976 0.829 CB 1.604 42 residues pruned to eliminate duplicates Z: 14 29.165 2.086 0.947 0.881 1.000 0.769 CB 1.442 14 residues pruned to eliminate duplicates Z: 15 34.924 2.068 0.949 0.900 1.000 0.857 CA 1.654 15 residues pruned to eliminate duplicates Z: 65 62.275 2.215 0.980 0.589 0.953 0.672 CB 1.710 65 residues pruned to eliminate duplicates Z: 16 19.717 2.188 0.368 0.754 0.867 0.600 CA 1.565 16 residues pruned to eliminate duplicates Z: 28 31.816 2.210 0.817 0.541 0.926 0.667 CB 1.582 28 residues pruned to eliminate duplicates Z: 22 24.636 1.999 0.808 0.829 0.857 0.524 CB 1.306 22 residues pruned to eliminate duplicates Z: 13 22.269 2.060 0.676 0.855 1.000 0.750 CB 1.375 13 residues pruned to eliminate duplicates Z: 62 44.009 2.134 0.773 0.550 0.918 0.623 CB 1.545 62 residues pruned to eliminate duplicates Z: 10 13.288 1.967 0.527 0.823 1.000 0.778 CB 1.115 10 residues pruned to eliminate duplicates Z: 25 25.326 2.082 0.980 0.458 0.875 0.625 CB 1.495 25 residues pruned to eliminate duplicates Z: 16 31.802 2.240 0.931 0.895 0.933 0.667 CA 1.458 16 residues pruned to eliminate duplicates Z: 10 22.619 2.002 0.958 0.866 1.000 0.778 CB 1.408 Z: 56 61.586 2.248 0.970 0.670 1.000 0.745 CB 1.602 56 residues pruned to eliminate duplicates Z: 9 8.600 2.263 0.389 0.269 0.750 0.500 CB 1.678 9 residues pruned to eliminate duplicates Z: 36 40.655 2.168 1.194 0.495 0.886 0.629 CB 1.639 32 residues pruned to eliminate duplicates Z: 20 19.702 2.042 0.915 0.489 0.842 0.684 CB 1.388 20 residues pruned to eliminate duplicates Z: 65 65.310 2.299 0.903 0.611 0.984 0.797 CB 1.707 65 residues pruned to eliminate duplicates Z: 26 45.000 2.285 1.047 0.738 0.960 0.880 CB 1.619 26 residues pruned to eliminate duplicates Z: 15 19.123 2.260 0.362 0.720 0.857 0.429 CB 1.587 15 residues pruned to eliminate duplicates Z: 16 28.031 2.284 0.655 0.784 0.867 0.467 CA 1.720 16 residues pruned to eliminate duplicates Z: 15 27.482 2.067 0.801 0.920 1.000 0.786 CB 1.390 15 residues pruned to eliminate duplicates Z: 15 25.489 2.177 0.813 0.717 0.929 0.714 CB 1.527 Z: 15 27.055 1.981 0.861 0.840 1.000 0.714 CB 1.464 Z: 11 12.371 1.772 0.791 0.819 1.000 0.900 CB 0.934 11 residues pruned to eliminate duplicates Z: 8 9.477 2.008 0.910 0.453 0.714 0.429 CA 1.372 Z: 15 22.494 2.180 0.314 0.913 1.000 0.929 CB 1.486 15 residues pruned to eliminate duplicates Z: 16 21.124 2.017 0.551 0.731 0.933 0.667 CB 1.517 16 residues pruned to eliminate duplicates Z: 12 17.241 1.805 0.483 0.845 1.000 0.818 CA 1.444 12 residues pruned to eliminate duplicates Z: 23 35.402 2.038 0.855 0.876 1.000 0.682 CB 1.452 23 residues pruned to eliminate duplicates Z: 11 20.457 1.978 0.713 0.790 1.000 0.500 CB 1.480 11 residues pruned to eliminate duplicates Z: 65 65.275 2.314 1.007 0.582 0.953 0.609 CB 1.703 65 residues pruned to eliminate duplicates Z: 11 13.707 1.830 0.811 0.836 0.900 0.600 CB 1.087 11 residues pruned to eliminate duplicates Z: 11 7.817 1.796 1.297 0.274 0.700 0.300 CB 1.106 11 residues pruned to eliminate duplicates Z: 13 15.503 1.854 0.639 0.773 1.000 0.500 CB 1.157 13 residues pruned to eliminate duplicates Z: 18 30.494 2.144 1.035 0.593 0.941 0.765 CA 1.647 18 residues pruned to eliminate duplicates Z: 32 30.208 2.077 0.951 0.576 0.839 0.484 CB 1.484 27 residues pruned to eliminate duplicates Z: 7 7.929 1.897 0.208 0.781 0.833 0.833 CB 1.323 7 residues pruned to eliminate duplicates Z: 63 59.656 2.263 0.933 0.616 0.935 0.677 CB 1.659 63 residues pruned to eliminate duplicates Z: 16 32.940 2.082 0.900 0.875 1.000 0.933 CA 1.564 16 residues pruned to eliminate duplicates Z: 10 20.094 1.895 0.784 0.844 1.000 0.778 CB 1.475 10 residues pruned to eliminate duplicates Z: 39 48.925 2.197 1.116 0.684 0.947 0.500 CB 1.522 48 residues pruned to eliminate duplicates Z: 25 33.575 2.077 1.088 0.632 0.917 0.708 CA 1.522 25 residues pruned to eliminate duplicates Z: 64 59.969 2.321 0.896 0.592 0.937 0.746 CB 1.678 64 residues pruned to eliminate duplicates Z: 11 15.003 1.845 0.661 0.837 1.000 0.600 CB 1.158 11 residues pruned to eliminate duplicates Z: 28 43.437 2.179 1.217 0.712 0.889 0.667 CB 1.607 28 residues pruned to eliminate duplicates Z: 45 50.993 2.266 0.827 0.664 0.932 0.773 CB 1.712 45 residues pruned to eliminate duplicates Z: 36 34.044 2.094 0.757 0.648 0.914 0.686 CB 1.490 36 residues pruned to eliminate duplicates Z: 15 26.226 2.053 0.753 0.908 1.000 0.857 CB 1.384 15 residues pruned to eliminate duplicates Z: 16 17.689 2.012 0.468 0.789 0.800 0.533 CB 1.499 16 residues pruned to eliminate duplicates Z: 35 49.320 2.261 1.037 0.721 0.941 0.676 CB 1.598 37 residues pruned to eliminate duplicates Z: 17 30.444 2.164 1.073 0.546 1.000 0.688 CB 1.621 18 residues pruned to eliminate duplicates Z: 15 20.329 2.129 0.572 0.804 0.857 0.571 CB 1.453 15 residues pruned to eliminate duplicates Z: 14 25.754 1.992 0.666 0.882 1.000 0.923 CB 1.557 14 residues pruned to eliminate duplicates Z: 63 57.386 2.218 0.987 0.615 0.903 0.694 CB 1.641 63 residues pruned to eliminate duplicates Z: 15 31.494 2.016 0.924 0.909 1.000 0.857 CB 1.541 15 residues pruned to eliminate duplicates Z: 16 21.254 2.030 0.425 0.786 0.933 0.600 CB 1.580 16 residues pruned to eliminate duplicates Z: 18 19.461 1.973 0.481 0.787 0.941 0.588 CA 1.333 18 residues pruned to eliminate duplicates Z: 19 25.284 2.055 0.862 0.489 1.000 0.778 CB 1.576 19 residues pruned to eliminate duplicates Z: 15 29.791 2.148 0.780 0.928 0.929 0.929 CA 1.570 15 residues pruned to eliminate duplicates Z: 52 49.076 2.176 0.832 0.621 0.961 0.588 CB 1.601 52 residues pruned to eliminate duplicates Z: 10 22.708 2.101 0.965 0.833 1.000 0.778 CB 1.375 10 residues pruned to eliminate duplicates Z: 14 17.363 2.167 0.324 0.724 0.923 0.538 CB 1.485 14 residues pruned to eliminate duplicates Z: 11 10.193 1.772 0.428 0.793 1.000 0.700 CB 0.985 11 residues pruned to eliminate duplicates Z: 23 23.914 2.012 0.940 0.762 0.773 0.318 CB 1.339 23 residues pruned to eliminate duplicates Z: 67 61.039 2.262 0.924 0.601 0.955 0.682 CB 1.643 67 residues pruned to eliminate duplicates Z: 11 14.415 2.007 0.447 0.834 0.900 0.800 CA 1.307 11 residues pruned to eliminate duplicates Z: 16 21.680 2.241 0.520 0.726 0.800 0.533 CA 1.675 Z: 14 27.579 2.087 0.849 0.866 1.000 0.846 CA 1.452 14 residues pruned to eliminate duplicates Z: 11 14.781 1.880 0.750 0.751 1.000 0.600 CB 1.136 11 residues pruned to eliminate duplicates Z: 11 22.352 2.180 0.858 0.682 1.000 0.900 CB 1.476 5 residues pruned to eliminate duplicates Z: 15 22.936 2.225 0.476 0.806 0.929 0.786 CA 1.539 15 residues pruned to eliminate duplicates Z: 9 3.896 1.666 0.488 0.209 0.750 0.500 CA 1.045 5 residues pruned to eliminate duplicates Z: 23 31.634 1.992 1.052 0.830 0.909 0.591 CB 1.365 23 residues pruned to eliminate duplicates Z: 13 28.156 2.146 0.841 0.820 1.000 0.667 CB 1.559 13 residues pruned to eliminate duplicates Z: 12 16.880 1.836 0.886 0.804 0.909 0.545 CB 1.239 12 residues pruned to eliminate duplicates Z: 11 17.972 2.025 0.492 0.855 0.900 0.700 CA 1.542 11 residues pruned to eliminate duplicates Z: 15 22.484 2.195 0.401 0.780 0.929 0.786 CB 1.644 15 residues pruned to eliminate duplicates Z: 59 55.281 2.215 0.860 0.650 0.966 0.741 CB 1.587 59 residues pruned to eliminate duplicates Z: 12 16.426 1.834 0.673 0.802 1.000 0.636 CB 1.240 12 residues pruned to eliminate duplicates Z: 67 62.601 2.274 0.940 0.593 0.970 0.742 CB 1.649 67 residues pruned to eliminate duplicates Z: 14 30.128 2.155 0.873 0.784 1.000 0.538 CB 1.612 14 residues pruned to eliminate duplicates Z: 63 65.327 2.282 0.976 0.605 0.952 0.629 CB 1.750 63 residues pruned to eliminate duplicates Z: 9 17.982 2.042 0.493 0.884 1.000 1.000 CB 1.507 9 residues pruned to eliminate duplicates Z: 16 17.774 2.022 0.390 0.847 0.867 0.667 CB 1.398 16 residues pruned to eliminate duplicates Z: 13 28.213 2.227 0.848 0.853 1.000 0.583 CB 1.463 13 residues pruned to eliminate duplicates Z: 17 18.678 2.060 0.329 0.750 0.875 0.438 CA 1.559 17 residues pruned to eliminate duplicates Z: 12 17.442 1.886 0.416 0.816 1.000 0.636 CA 1.497 12 residues pruned to eliminate duplicates Z: 17 25.386 2.076 1.187 0.617 0.812 0.688 CB 1.539 17 residues pruned to eliminate duplicates Z: 15 23.948 2.142 0.605 0.727 1.000 0.429 CB 1.518 15 residues pruned to eliminate duplicates Z: 7 6.606 1.963 -0.238 0.766 1.000 0.833 CB 1.424 Z: 16 29.034 2.064 0.873 0.938 1.000 0.800 CB 1.348 16 residues pruned to eliminate duplicates Z: 14 29.491 2.115 0.818 0.923 1.000 0.538 CB 1.494 14 residues pruned to eliminate duplicates Z: 14 11.928 1.913 0.407 0.824 0.769 0.538 CB 1.206 14 residues pruned to eliminate duplicates Z: 14 25.543 2.029 1.037 0.915 0.923 0.769 CB 1.312 14 residues pruned to eliminate duplicates Z: 60 65.807 2.347 0.988 0.623 0.949 0.695 CB 1.723 60 residues pruned to eliminate duplicates Z: 12 13.716 1.777 0.429 0.819 0.909 0.636 CB 1.358 12 residues pruned to eliminate duplicates Z: 41 38.675 2.070 0.809 0.623 0.925 0.650 CB 1.572 41 residues pruned to eliminate duplicates Z: 6 2.809 1.694 -0.139 0.689 1.000 0.800 CB 0.724 Z: 72 58.139 2.204 0.886 0.584 0.972 0.746 CB 1.576 72 residues pruned to eliminate duplicates Z: 9 16.234 2.007 0.805 0.821 0.875 0.375 CA 1.371 9 residues pruned to eliminate duplicates Z: 6 2.323 1.761 -0.359 0.478 1.000 0.800 CB 0.941 Z: 15 35.450 2.143 1.035 0.945 0.929 0.929 CB 1.620 15 residues pruned to eliminate duplicates Z: 17 25.327 1.956 0.693 0.929 1.000 0.938 CA 1.338 17 residues pruned to eliminate duplicates Z: 10 20.080 2.085 1.142 0.765 0.889 0.556 CB 1.333 10 residues pruned to eliminate duplicates Z: 13 13.985 1.945 0.712 0.695 0.750 0.500 CB 1.352 13 residues pruned to eliminate duplicates Z: 56 60.521 2.283 0.887 0.658 0.964 0.709 CB 1.697 56 residues pruned to eliminate duplicates Z: 13 18.005 2.071 0.949 0.609 0.833 0.667 CB 1.394 13 residues pruned to eliminate duplicates Z: 28 29.287 2.092 0.882 0.635 0.852 0.556 CB 1.480 28 residues pruned to eliminate duplicates Z: 40 57.481 2.373 0.991 0.698 0.949 0.692 CA 1.713 40 residues pruned to eliminate duplicates Z: 14 19.603 2.035 1.204 0.614 0.846 0.692 CA 1.287 14 residues pruned to eliminate duplicates Z: 16 31.887 2.052 0.892 0.934 1.000 0.933 CA 1.479 16 residues pruned to eliminate duplicates Z: 20 29.739 2.062 1.084 0.549 0.895 0.684 CB 1.691 20 residues pruned to eliminate duplicates Z: 7 13.488 2.272 0.440 0.805 0.833 0.667 CB 1.548 7 residues pruned to eliminate duplicates Z: 9 10.441 1.965 0.643 0.458 0.875 0.500 CB 1.364 9 residues pruned to eliminate duplicates Z: 12 11.728 1.931 0.449 0.653 0.818 0.545 CB 1.339 12 residues pruned to eliminate duplicates Z: 22 27.650 2.152 1.030 0.426 0.905 0.571 CA 1.648 22 residues pruned to eliminate duplicates Z: 14 28.074 2.083 0.862 0.866 1.000 0.462 CB 1.470 14 residues pruned to eliminate duplicates Z: 6 2.609 1.435 0.468 0.298 0.600 0.400 CB 1.157 6 residues pruned to eliminate duplicates Z: 10 11.777 1.999 0.349 0.747 0.889 0.333 CB 1.313 10 residues pruned to eliminate duplicates Z: 12 30.489 2.228 1.059 0.701 1.000 0.636 CB 1.669 13 residues pruned to eliminate duplicates Z: 15 32.943 2.052 1.153 0.936 1.000 0.714 CB 1.388 15 residues pruned to eliminate duplicates Z: 6 6.636 1.457 0.617 0.759 1.000 0.600 CA 1.000 6 residues pruned to eliminate duplicates Z: 9 5.109 1.591 0.003 0.699 0.875 0.500 CB 1.079 Z: 67 68.916 2.267 0.989 0.646 0.970 0.727 CB 1.693 67 residues pruned to eliminate duplicates Z: 16 19.467 2.004 0.479 0.742 0.933 0.467 CA 1.464 16 residues pruned to eliminate duplicates Z: 12 12.544 1.755 0.546 0.862 0.909 0.636 CB 1.125 12 residues pruned to eliminate duplicates Z: 14 25.001 2.053 0.775 0.916 1.000 0.615 CB 1.344 14 residues pruned to eliminate duplicates Z: 12 11.317 1.934 0.422 0.812 0.818 0.636 CB 1.155 12 residues pruned to eliminate duplicates Z: 49 44.065 2.146 0.701 0.620 0.958 0.667 CB 1.623 49 residues pruned to eliminate duplicates Z: 6 3.633 1.895 -0.154 0.515 1.000 0.600 CB 0.999 6 residues pruned to eliminate duplicates Z: 47 55.594 2.273 0.933 0.635 0.978 0.739 CB 1.679 47 residues pruned to eliminate duplicates Z: 47 56.898 2.254 1.037 0.623 0.978 0.674 CB 1.663 47 residues pruned to eliminate duplicates Z: 19 24.558 2.060 0.780 0.543 1.000 0.722 CB 1.514 19 residues pruned to eliminate duplicates Z: 19 21.514 2.092 0.725 0.509 0.944 0.667 CB 1.474 19 residues pruned to eliminate duplicates Z: 17 29.393 2.286 1.117 0.526 0.938 0.875 CB 1.578 17 residues pruned to eliminate duplicates Z: 20 23.091 2.146 1.027 0.569 0.684 0.632 CA 1.666 20 residues pruned to eliminate duplicates Z: 9 7.633 1.618 0.168 0.572 1.000 0.750 CB 1.332 Z: 11 17.642 2.002 0.739 0.733 1.000 0.800 CB 1.299 11 residues pruned to eliminate duplicates 6 1.179 1.460 -0.002 0.354 0.600 0.400 CB 0.706 ? Z: 22 25.716 2.049 1.035 0.519 0.952 0.714 CB 1.386 22 residues pruned to eliminate duplicates Z: 54 62.252 2.293 0.963 0.691 0.981 0.887 CB 1.625 54 residues pruned to eliminate duplicates Z: 17 24.753 2.229 0.705 0.570 0.938 0.812 CA 1.623 17 residues pruned to eliminate duplicates Z: 7 5.341 1.870 -0.098 0.652 0.833 0.333 O 1.346 Z: 16 27.272 2.224 0.677 0.927 1.000 1.000 CA 1.323 16 residues pruned to eliminate duplicates Z: 14 15.549 2.074 0.258 0.825 0.923 0.692 CB 1.352 14 residues pruned to eliminate duplicates Z: 12 5.519 1.749 0.004 0.483 0.909 0.545 CB 1.060 7 residues pruned to eliminate duplicates Z: 10 3.606 1.504 0.120 0.534 0.889 0.556 CB 0.777 Z: 7 3.286 1.695 -0.139 0.665 1.000 0.833 CB 0.789 6 residues pruned to eliminate duplicates 8 1.973 1.251 0.215 0.322 1.000 0.714 CB 0.597 ? Z: 14 34.032 2.284 1.265 0.755 0.846 0.692 CB 1.718 13 residues pruned to eliminate duplicates Z: 16 30.305 2.039 1.019 0.944 1.000 0.800 CB 1.316 16 residues pruned to eliminate duplicates Z: 15 23.596 2.161 0.352 0.916 1.000 0.857 CA 1.525 15 residues pruned to eliminate duplicates Z: 10 7.562 1.799 0.578 0.347 0.778 0.556 CB 1.348 11 residues pruned to eliminate duplicates Z: 9 13.306 1.833 0.672 0.816 0.875 0.875 CB 1.333 9 residues pruned to eliminate duplicates Z: 16 30.678 2.071 0.942 0.922 0.933 0.800 CA 1.485 16 residues pruned to eliminate duplicates Z: 15 27.207 2.190 1.016 0.722 0.857 0.714 CB 1.573 15 residues pruned to eliminate duplicates Z: 16 12.205 1.835 0.508 0.592 0.867 0.400 CB 1.204 16 residues pruned to eliminate duplicates Z: 17 31.883 2.032 0.999 0.879 0.938 0.438 CA 1.518 17 residues pruned to eliminate duplicates 6 1.736 1.617 -0.118 0.439 0.600 0.600 CB 0.967 ? Z: 62 66.545 2.315 1.031 0.611 0.951 0.754 CB 1.715 62 residues pruned to eliminate duplicates Z: 7 5.091 1.670 -0.190 0.680 1.000 0.833 C 1.302 7 residues pruned to eliminate duplicates Z: 15 19.120 2.071 0.227 0.937 1.000 1.000 CB 1.400 15 residues pruned to eliminate duplicates Z: 37 42.748 2.192 1.009 0.563 0.917 0.611 CA 1.660 37 residues pruned to eliminate duplicates Z: 26 27.371 2.075 0.977 0.529 0.800 0.560 CA 1.621 26 residues pruned to eliminate duplicates Z: 6 8.009 1.979 0.217 0.806 0.800 0.600 CA 1.423 6 residues pruned to eliminate duplicates Z: 24 33.935 1.941 0.860 0.830 0.957 0.783 CB 1.540 24 residues pruned to eliminate duplicates Z: 14 29.193 2.077 1.548 0.701 0.923 0.846 CB 1.380 15 residues pruned to eliminate duplicates Z: 27 44.041 2.185 1.178 0.715 0.923 0.538 CB 1.618 27 residues pruned to eliminate duplicates Z: 12 11.170 2.140 0.692 0.330 0.727 0.727 CA 1.541 12 residues pruned to eliminate duplicates Z: 49 55.791 2.311 0.955 0.633 0.917 0.750 CB 1.717 65 residues pruned to eliminate duplicates Z: 7 4.744 1.787 -0.338 0.798 1.000 1.000 CB 1.263 7 residues pruned to eliminate duplicates Z: 10 7.111 1.841 -0.042 0.585 1.000 0.444 CB 1.238 6 residues pruned to eliminate duplicates Z: 13 27.205 2.193 0.744 0.903 1.000 0.917 CB 1.463 13 residues pruned to eliminate duplicates Z: 39 40.523 2.212 1.043 0.549 0.895 0.737 CB 1.550 39 residues pruned to eliminate duplicates Z: 9 3.626 1.550 0.232 0.485 0.875 0.625 CB 0.779 Z: 6 3.094 1.328 0.448 0.415 1.000 0.800 CA 0.787 6 residues pruned to eliminate duplicates Z: 14 14.543 1.832 0.586 0.511 1.000 0.615 CB 1.374 14 residues pruned to eliminate duplicates Z: 7 2.498 1.656 -0.120 0.385 0.833 0.500 N 0.949 Z: 16 23.760 2.175 0.374 0.807 1.000 0.800 CA 1.570 16 residues pruned to eliminate duplicates Z: 7 4.565 1.676 0.962 0.340 0.500 0.500 CA 1.350 7 residues pruned to eliminate duplicates Z: 62 60.618 2.272 0.835 0.612 0.984 0.738 CB 1.703 62 residues pruned to eliminate duplicates Z: 16 27.702 2.188 1.231 0.584 0.867 0.867 CB 1.559 16 residues pruned to eliminate duplicates Z: 12 32.341 2.388 0.858 0.771 1.000 0.818 CB 1.729 12 residues pruned to eliminate duplicates Z: 16 25.232 2.022 0.826 0.892 0.933 0.667 CB 1.358 16 residues pruned to eliminate duplicates Z: 23 27.929 1.948 0.767 0.825 0.955 0.591 CB 1.368 23 residues pruned to eliminate duplicates Z: 15 15.182 2.076 0.746 0.400 0.857 0.500 CA 1.452 15 residues pruned to eliminate duplicates Z: 38 43.556 2.166 1.008 0.678 0.865 0.568 CB 1.616 38 residues pruned to eliminate duplicates Z: 43 49.174 2.287 0.988 0.620 0.952 0.786 CA 1.565 43 residues pruned to eliminate duplicates Z: 10 9.820 2.033 0.563 0.357 1.000 0.444 CB 1.203 10 residues pruned to eliminate duplicates Z: 60 60.617 2.253 1.002 0.647 0.949 0.797 CB 1.607 60 residues pruned to eliminate duplicates Z: 56 60.949 2.312 0.965 0.641 0.964 0.673 CB 1.645 152 residues pruned to eliminate duplicates Z: 6 5.081 1.974 -0.356 0.670 1.000 0.400 N 1.527 Z: 8 14.891 1.943 0.504 0.899 1.000 0.857 CB 1.377 8 residues pruned to eliminate duplicates Z: 17 14.021 1.915 0.295 0.770 0.938 0.688 CB 1.188 17 residues pruned to eliminate duplicates Z: 32 22.466 1.973 0.890 0.469 0.839 0.484 CB 1.332 9 residues pruned to eliminate duplicates Z: 17 25.632 2.105 1.247 0.642 0.812 0.750 CB 1.460 17 residues pruned to eliminate duplicates Z: 57 63.089 2.283 0.857 0.666 1.000 0.821 CB 1.706 57 residues pruned to eliminate duplicates Z: 11 9.691 1.721 0.369 0.717 0.800 0.600 CA 1.336 11 residues pruned to eliminate duplicates Z: 33 43.251 2.307 0.856 0.559 0.969 0.625 CB 1.742 33 residues pruned to eliminate duplicates Z: 65 64.352 2.240 1.002 0.628 0.969 0.656 CB 1.641 65 residues pruned to eliminate duplicates Z: 15 35.304 2.089 1.002 0.919 1.000 0.857 CB 1.589 11 residues pruned to eliminate duplicates Z: 11 16.303 1.766 1.345 0.512 1.000 0.600 CB 1.231 11 residues pruned to eliminate duplicates Z: 62 54.734 2.195 0.992 0.565 0.934 0.705 CA 1.611 62 residues pruned to eliminate duplicates Z: 16 29.091 2.223 0.824 0.760 0.933 0.333 CA 1.575 16 residues pruned to eliminate duplicates Z: 15 23.505 2.180 0.470 0.927 0.929 0.857 CB 1.479 15 residues pruned to eliminate duplicates Z: 58 66.280 2.261 1.006 0.658 0.982 0.754 CB 1.702 58 residues pruned to eliminate duplicates 6 1.337 1.540 -0.346 0.153 0.800 0.400 CB 1.137 ? Z: 9 8.367 1.610 1.062 0.363 0.875 0.500 C 1.180 9 residues pruned to eliminate duplicates Z: 8 4.682 1.235 0.711 0.479 0.857 0.571 CB 0.998 Z: 34 38.338 2.230 0.702 0.557 0.970 0.576 CB 1.715 34 residues pruned to eliminate duplicates Z: 12 16.950 2.138 0.876 0.495 0.909 0.636 CB 1.410 12 residues pruned to eliminate duplicates Z: 15 40.974 2.186 1.257 0.956 1.000 0.857 CA 1.524 15 residues pruned to eliminate duplicates Z: 16 27.190 2.040 0.804 0.928 1.000 0.867 CB 1.336 16 residues pruned to eliminate duplicates Z: 7 3.626 1.415 0.326 0.355 0.833 0.667 CA 1.107 Z: 14 26.594 2.042 1.021 0.897 1.000 0.769 CB 1.279 14 residues pruned to eliminate duplicates Z: 16 20.253 2.100 0.425 0.798 0.933 0.600 CA 1.442 16 residues pruned to eliminate duplicates Z: 32 53.384 2.178 1.262 0.712 0.968 0.742 CA 1.659 15 residues pruned to eliminate duplicates Z: 60 54.891 2.265 0.720 0.610 0.966 0.780 CB 1.711 60 residues pruned to eliminate duplicates Z: 38 42.681 2.087 1.031 0.731 0.919 0.622 CB 1.464 38 residues pruned to eliminate duplicates Z: 12 17.295 2.100 1.019 0.390 0.909 0.727 CB 1.520 12 residues pruned to eliminate duplicates Z: 70 64.405 2.286 1.032 0.594 0.957 0.725 CB 1.595 70 residues pruned to eliminate duplicates Z: 7 5.877 1.804 -0.155 0.752 1.000 0.667 CB 1.257 Z: 6 7.557 2.105 0.223 0.804 0.800 0.800 CA 1.257 6 residues pruned to eliminate duplicates Z: 19 32.142 2.125 0.866 0.866 0.944 0.778 CB 1.481 19 residues pruned to eliminate duplicates Z: 23 36.229 2.104 1.035 0.791 0.955 0.409 CB 1.464 23 residues pruned to eliminate duplicates Z: 43 50.957 2.259 0.844 0.643 0.976 0.667 CB 1.692 43 residues pruned to eliminate duplicates Z: 68 56.514 2.198 0.952 0.564 0.925 0.642 CB 1.633 68 residues pruned to eliminate duplicates Z: 67 65.980 2.297 1.043 0.576 0.955 0.621 CA 1.684 67 residues pruned to eliminate duplicates Z: 14 5.688 1.663 0.707 0.437 0.846 0.231 CB 0.701 Z: 38 26.995 1.943 0.985 0.611 0.865 0.486 CB 1.198 Z: 67 49.096 2.188 0.745 0.580 0.924 0.591 CB 1.586 67 residues pruned to eliminate duplicates Z: 9 3.660 1.443 0.122 0.522 0.875 0.625 CB 0.894 6 residues pruned to eliminate duplicates Z: 37 27.723 2.074 0.955 0.468 0.861 0.556 CB 1.366 75 residues pruned to eliminate duplicates Z: 8 2.859 1.588 0.495 0.242 0.714 0.429 CB 0.858 8 residues pruned to eliminate duplicates Z: 13 26.954 2.005 0.753 0.863 1.000 0.917 CA 1.625 13 residues pruned to eliminate duplicates Z: 62 65.536 2.288 1.010 0.644 0.967 0.803 CB 1.649 64 residues pruned to eliminate duplicates Z: 61 64.023 2.258 0.947 0.640 0.983 0.700 CB 1.677 61 residues pruned to eliminate duplicates Z: 56 70.508 2.370 1.056 0.647 0.982 0.745 CB 1.732 56 residues pruned to eliminate duplicates Z: 39 45.355 2.147 1.035 0.706 0.895 0.579 CB 1.560 39 residues pruned to eliminate duplicates Z: 34 23.410 2.024 0.773 0.466 0.788 0.394 CB 1.492 34 residues pruned to eliminate duplicates Z: 11 25.011 2.155 0.889 0.734 1.000 0.900 CA 1.574 11 residues pruned to eliminate duplicates Z: 11 3.223 1.338 0.200 0.430 0.700 0.500 C 0.975 Z: 11 18.749 2.281 0.984 0.541 0.800 0.600 CB 1.573 11 residues pruned to eliminate duplicates Z: 6 3.813 1.968 0.451 0.514 0.800 0.800 CB 0.736 Z: 52 41.812 2.045 0.861 0.558 0.941 0.627 CA 1.544 52 residues pruned to eliminate duplicates Z: 71 57.561 2.220 0.853 0.568 0.957 0.643 CB 1.635 107 residues pruned to eliminate duplicates Z: 8 7.531 1.770 -0.182 0.778 1.000 0.714 CB 1.537 6 residues pruned to eliminate duplicates Z: 11 15.228 2.078 0.365 0.747 0.900 0.800 CB 1.513 Z: 44 56.054 2.260 0.954 0.654 0.977 0.744 CB 1.717 44 residues pruned to eliminate duplicates Z: 13 31.052 2.223 1.111 0.897 1.000 0.833 CB 1.366 13 residues pruned to eliminate duplicates Z: 15 35.784 2.131 0.967 0.949 1.000 0.857 CA 1.574 15 residues pruned to eliminate duplicates Z: 6 15.208 2.180 0.689 0.865 1.000 0.600 CB 1.354 6 residues pruned to eliminate duplicates Z: 48 32.714 2.140 0.672 0.553 0.872 0.638 CB 1.452 48 residues pruned to eliminate duplicates Z: 30 46.624 2.292 0.897 0.713 1.000 0.897 CB 1.642 41 residues pruned to eliminate duplicates Z: 7 8.671 1.782 0.232 0.820 1.000 0.500 CB 1.222 7 residues pruned to eliminate duplicates Z: 13 5.330 1.605 0.061 0.332 0.833 0.417 CB 1.303 7 residues pruned to eliminate duplicates Z: 6 3.793 1.364 0.905 0.478 0.800 0.600 N 0.835 Z: 16 34.574 2.100 1.067 0.944 1.000 0.867 CB 1.424 16 residues pruned to eliminate duplicates Z: 69 68.694 2.264 1.057 0.638 0.941 0.721 CB 1.671 69 residues pruned to eliminate duplicates Z: 10 12.087 1.854 1.187 0.573 0.778 0.667 CB 1.191 Z: 43 37.642 2.106 0.902 0.623 0.905 0.643 CB 1.427 43 residues pruned to eliminate duplicates Z: 12 12.893 1.969 1.154 0.310 0.818 0.545 CB 1.383 12 residues pruned to eliminate duplicates Z: 40 33.968 2.121 0.902 0.562 0.846 0.538 CB 1.500 40 residues pruned to eliminate duplicates Z: 58 62.229 2.296 0.998 0.638 0.947 0.702 CA 1.667 58 residues pruned to eliminate duplicates Z: 56 51.641 2.172 0.838 0.610 0.982 0.673 CB 1.600 56 residues pruned to eliminate duplicates Z: 49 52.629 2.139 1.054 0.670 0.938 0.750 CB 1.576 49 residues pruned to eliminate duplicates Z: 9 34.118 2.285 1.148 0.918 1.000 0.750 CA 1.733 9 residues pruned to eliminate duplicates Z: 28 35.409 2.315 0.965 0.509 0.963 0.704 CA 1.541 28 residues pruned to eliminate duplicates Z: 24 33.176 2.150 1.179 0.657 0.870 0.826 CB 1.468 10 residues pruned to eliminate duplicates Z: 21 22.103 2.000 0.787 0.632 0.900 0.700 CB 1.358 Z: 13 31.998 2.077 1.028 0.887 1.000 0.917 CB 1.580 11 residues pruned to eliminate duplicates Z: 7 6.271 2.008 0.402 0.614 0.667 0.667 CB 1.225 Z: 14 27.055 2.242 0.696 0.878 1.000 0.846 CA 1.432 14 residues pruned to eliminate duplicates Z: 17 27.213 2.186 0.750 0.561 1.000 0.625 CA 1.676 17 residues pruned to eliminate duplicates Z: 63 56.734 2.224 0.838 0.579 0.984 0.710 CB 1.660 63 residues pruned to eliminate duplicates Z: 32 43.148 2.305 0.924 0.589 0.935 0.774 CB 1.715 32 residues pruned to eliminate duplicates Z: 21 27.765 2.066 0.938 0.669 0.900 0.850 CB 1.474 21 residues pruned to eliminate duplicates Z: 23 29.162 2.187 0.901 0.664 0.909 0.909 CB 1.413 23 residues pruned to eliminate duplicates Z: 13 18.603 2.113 0.818 0.806 0.917 0.500 CB 1.168 13 residues pruned to eliminate duplicates Z: 12 16.294 1.742 0.683 0.881 1.000 0.727 CB 1.213 12 residues pruned to eliminate duplicates Z: 6 3.705 1.679 -0.079 0.450 1.000 0.600 CB 1.128 6 residues pruned to eliminate duplicates Z: 50 47.527 2.115 0.950 0.645 0.959 0.735 CB 1.499 50 residues pruned to eliminate duplicates Z: 6 9.723 2.204 0.418 0.595 1.000 0.600 CB 1.271 6 residues pruned to eliminate duplicates Z: 9 12.105 1.940 0.586 0.738 0.750 0.625 CB 1.499 9 residues pruned to eliminate duplicates Z: 6 4.867 1.704 0.433 0.312 0.800 0.600 CB 1.372 6 residues pruned to eliminate duplicates Z: 7 4.242 1.653 -0.033 0.534 0.833 0.667 CB 1.258 7 residues pruned to eliminate duplicates Z: 15 33.149 2.128 1.022 0.939 1.000 0.643 CB 1.431 15 residues pruned to eliminate duplicates Z: 8 15.428 1.726 1.205 0.876 1.000 0.857 CB 1.113 6 0.685 1.601 0.273 0.562 1.000 1.000 CB 0.142 ? Z: 6 6.542 1.662 0.600 0.427 0.800 0.800 CB 1.483 Z: 10 18.218 1.960 0.692 0.856 1.000 0.889 CB 1.351 10 residues pruned to eliminate duplicates Z: 57 60.079 2.264 0.901 0.650 0.982 0.750 CB 1.652 57 residues pruned to eliminate duplicates Z: 13 25.841 2.056 1.042 0.743 0.917 0.833 CB 1.560 Z: 10 16.937 1.842 1.040 0.648 1.000 0.778 CA 1.309 10 residues pruned to eliminate duplicates Z: 7 4.522 1.600 0.356 0.404 0.833 0.500 N 1.130 4 residues pruned to eliminate duplicates Z: 11 11.825 1.825 0.350 0.798 0.900 0.800 CB 1.299 Z: 20 21.079 2.097 0.452 0.494 0.947 0.737 CB 1.686 20 residues pruned to eliminate duplicates Z: 60 59.131 2.258 0.870 0.639 0.949 0.746 CB 1.687 60 residues pruned to eliminate duplicates Z: 57 63.193 2.334 0.899 0.648 0.946 0.750 CB 1.754 57 residues pruned to eliminate duplicates Z: 11 25.966 2.164 0.830 0.897 1.000 0.900 CB 1.484 11 residues pruned to eliminate duplicates Z: 26 18.692 2.057 0.857 0.318 0.720 0.480 CB 1.663 32 residues pruned to eliminate duplicates Z: 16 11.275 1.947 0.802 0.348 0.800 0.467 CB 1.223 16 residues pruned to eliminate duplicates Z: 46 42.345 2.198 0.930 0.596 0.889 0.667 CB 1.527 46 residues pruned to eliminate duplicates Z: 48 58.407 2.248 0.882 0.713 1.000 0.745 CB 1.660 48 residues pruned to eliminate duplicates Z: 46 51.749 2.174 0.934 0.676 0.956 0.689 CB 1.633 46 residues pruned to eliminate duplicates Z: 16 18.082 1.934 0.495 0.781 0.933 0.600 CA 1.351 16 residues pruned to eliminate duplicates Z: 8 5.535 1.591 0.679 0.346 0.714 0.714 CB 1.296 8 residues pruned to eliminate duplicates Z: 8 19.196 1.932 1.455 0.688 1.000 0.857 CB 1.288 8 residues pruned to eliminate duplicates Z: 6 8.410 1.948 0.563 0.827 0.800 0.600 CA 1.164 6 residues pruned to eliminate duplicates Z: 57 54.892 2.289 0.836 0.607 0.946 0.696 CB 1.666 57 residues pruned to eliminate duplicates Z: 9 6.145 1.730 -0.273 0.701 1.000 0.625 CB 1.438 7 residues pruned to eliminate duplicates 6 1.716 1.207 0.353 0.388 0.600 0.600 N 0.882 ? Z: 43 39.035 2.156 0.658 0.571 0.952 0.667 CB 1.652 43 residues pruned to eliminate duplicates Z: 10 4.845 1.774 0.467 0.428 0.778 0.444 CB 0.860 10 residues pruned to eliminate duplicates Z: 28 31.320 2.145 0.966 0.568 0.889 0.519 CB 1.505 28 residues pruned to eliminate duplicates Z: 13 11.502 1.926 0.573 0.545 0.750 0.500 CB 1.398 19 residues pruned to eliminate duplicates Z: 35 39.019 2.240 1.060 0.549 0.912 0.765 CB 1.517 35 residues pruned to eliminate duplicates Z: 16 29.788 1.962 0.929 0.893 1.000 0.467 CB 1.459 16 residues pruned to eliminate duplicates Z: 10 14.937 2.027 0.335 0.829 0.889 0.667 CA 1.558 10 residues pruned to eliminate duplicates Z: 26 37.214 2.175 1.022 0.579 0.960 0.760 CB 1.633 26 residues pruned to eliminate duplicates Z: 20 32.225 2.184 1.114 0.518 0.947 0.842 CB 1.661 20 residues pruned to eliminate duplicates Z: 8 17.276 2.051 0.711 0.749 1.000 0.714 CB 1.489 8 residues pruned to eliminate duplicates Z: 18 28.175 2.251 1.033 0.475 0.941 0.706 CB 1.627 18 residues pruned to eliminate duplicates Z: 14 22.408 1.958 0.842 0.856 1.000 0.846 CB 1.270 14 residues pruned to eliminate duplicates Z: 36 22.830 1.904 0.837 0.494 0.771 0.400 CB 1.438 36 residues pruned to eliminate duplicates Z: 45 36.476 2.093 0.617 0.613 0.932 0.682 CB 1.567 45 residues pruned to eliminate duplicates Z: 17 18.391 1.974 0.722 0.375 0.938 0.562 CB 1.648 17 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 4.601 1.647 0.854 0.361 0.800 0.400 CA 0.979 5 residues pruned to eliminate duplicates Z: 6 4.472 1.836 0.457 0.274 0.800 0.600 CA 1.207 6 residues pruned to eliminate duplicates Z: 36 48.274 2.249 1.049 0.697 0.914 0.657 CB 1.618 36 residues pruned to eliminate duplicates Z: 14 33.380 2.234 1.654 0.773 0.846 0.846 CA 1.450 15 residues pruned to eliminate duplicates Z: 6 7.974 1.793 0.916 0.389 1.000 0.600 CA 1.168 6 residues pruned to eliminate duplicates Z: 44 37.707 2.181 0.799 0.558 0.930 0.488 CB 1.489 44 residues pruned to eliminate duplicates Z: 39 36.531 2.142 0.985 0.641 0.868 0.526 CB 1.407 39 residues pruned to eliminate duplicates Z: 37 37.370 2.123 0.979 0.637 0.861 0.611 CB 1.515 37 residues pruned to eliminate duplicates Z: 40 35.825 2.168 0.900 0.651 0.872 0.590 CB 1.388 40 residues pruned to eliminate duplicates Z: 36 48.236 2.233 1.158 0.715 0.886 0.657 CB 1.573 35 residues pruned to eliminate duplicates Z: 13 27.759 2.203 0.913 0.872 0.917 0.750 CB 1.512 13 residues pruned to eliminate duplicates Z: 37 39.829 2.208 0.897 0.682 0.889 0.472 CB 1.508 38 residues pruned to eliminate duplicates Z: 15 32.874 2.079 1.170 0.840 1.000 0.571 CB 1.453 15 residues pruned to eliminate duplicates Z: 31 27.521 2.059 0.791 0.597 0.867 0.633 CB 1.432 31 residues pruned to eliminate duplicates Z: 27 37.171 2.241 0.837 0.695 0.962 0.615 CB 1.541 27 residues pruned to eliminate duplicates Z: 39 35.038 2.121 0.953 0.629 0.842 0.605 CB 1.444 39 residues pruned to eliminate duplicates Z: 14 25.114 2.149 0.857 0.774 1.000 0.462 CB 1.370 14 residues pruned to eliminate duplicates Z: 45 50.398 2.259 1.122 0.594 0.909 0.545 CB 1.593 45 residues pruned to eliminate duplicates Z: 14 34.121 2.096 1.308 0.862 0.923 0.769 CB 1.555 14 residues pruned to eliminate duplicates Z: 26 42.793 2.269 1.188 0.714 0.920 0.560 CB 1.543 26 residues pruned to eliminate duplicates Z: 37 42.432 2.189 1.110 0.676 0.861 0.639 CB 1.512 37 residues pruned to eliminate duplicates Z: 101 80.424 2.321 1.067 0.610 0.920 0.670 CB 1.641 101 residues pruned to eliminate duplicates Z: 35 42.644 2.211 1.157 0.716 0.882 0.618 CB 1.429 35 residues pruned to eliminate duplicates Z: 18 19.452 1.991 0.779 0.613 0.765 0.471 CB 1.565 18 residues pruned to eliminate duplicates Z: 23 14.835 2.033 0.588 0.409 0.818 0.500 CB 1.318 23 residues pruned to eliminate duplicates Z: 38 26.981 2.111 0.868 0.509 0.784 0.351 CB 1.423 38 residues pruned to eliminate duplicates Z: 12 18.029 1.978 0.823 0.696 0.909 0.636 CB 1.386 12 residues pruned to eliminate duplicates Z: 38 42.873 2.192 1.068 0.701 0.865 0.622 CB 1.497 38 residues pruned to eliminate duplicates Z: 46 43.288 2.174 1.071 0.604 0.889 0.467 CB 1.460 46 residues pruned to eliminate duplicates Z: 43 31.303 2.048 0.975 0.447 0.905 0.524 CB 1.395 43 residues pruned to eliminate duplicates Z: 19 22.285 2.174 0.910 0.460 0.889 0.667 CB 1.481 19 residues pruned to eliminate duplicates Z: 20 17.971 2.137 0.713 0.462 0.789 0.316 CB 1.483 20 residues pruned to eliminate duplicates Z: 11 6.277 1.868 0.620 0.233 0.800 0.200 CB 1.120 11 residues pruned to eliminate duplicates Z: 12 8.064 2.086 0.668 0.288 0.818 0.364 CB 1.084 12 residues pruned to eliminate duplicates Z: 44 40.483 2.201 1.080 0.569 0.860 0.535 CB 1.466 44 residues pruned to eliminate duplicates Z: 23 15.019 1.990 0.694 0.404 0.773 0.455 CB 1.360 23 residues pruned to eliminate duplicates Z: 23 20.816 2.063 0.961 0.461 0.864 0.500 CB 1.322 23 residues pruned to eliminate duplicates Z: 17 12.603 1.977 0.918 0.241 0.750 0.375 CB 1.495 17 residues pruned to eliminate duplicates Z: 46 46.547 2.196 1.209 0.593 0.889 0.533 CB 1.472 46 residues pruned to eliminate duplicates Z: 31 21.592 1.940 1.062 0.499 0.800 0.433 CB 1.232 31 residues pruned to eliminate duplicates Z: 64 63.784 2.342 0.874 0.602 0.952 0.794 CB 1.744 64 residues pruned to eliminate duplicates Z: 64 67.529 2.336 0.987 0.599 0.968 0.730 CB 1.723 64 residues pruned to eliminate duplicates Z: 23 29.583 2.299 0.827 0.458 0.909 0.636 CB 1.723 23 residues pruned to eliminate duplicates Z: 64 67.563 2.349 0.975 0.597 0.984 0.698 CB 1.700 63 residues pruned to eliminate duplicates Z: 6 4.717 1.701 1.027 0.132 0.800 0.200 CB 1.211 6 residues pruned to eliminate duplicates Z: 68 72.129 2.282 1.036 0.659 0.970 0.761 CB 1.688 68 residues pruned to eliminate duplicates Z: 68 62.941 2.283 0.957 0.571 0.955 0.731 CB 1.682 68 residues pruned to eliminate duplicates Z: 59 62.772 2.323 0.916 0.618 0.948 0.759 CB 1.746 59 residues pruned to eliminate duplicates Z: 127 86.671 2.284 0.952 0.600 0.952 0.706 CB 1.652 127 residues pruned to eliminate duplicates Z: 64 68.301 2.351 1.006 0.595 0.968 0.746 CB 1.721 64 residues pruned to eliminate duplicates Z: 67 62.492 2.316 0.946 0.606 0.939 0.727 CB 1.643 67 residues pruned to eliminate duplicates Z: 68 55.888 2.252 0.835 0.600 0.940 0.701 CB 1.598 68 residues pruned to eliminate duplicates Z: 78 64.437 2.282 0.902 0.580 0.935 0.675 CB 1.675 78 residues pruned to eliminate duplicates Z: 60 67.897 2.346 1.022 0.610 0.966 0.729 CB 1.738 61 residues pruned to eliminate duplicates Z: 16 29.509 2.161 0.718 0.834 1.000 0.800 CB 1.538 16 residues pruned to eliminate duplicates Z: 64 65.364 2.340 1.008 0.593 0.952 0.619 CB 1.684 64 residues pruned to eliminate duplicates Z: 15 23.347 2.122 0.468 0.899 1.000 0.857 CB 1.432 15 residues pruned to eliminate duplicates Z: 69 63.684 2.290 0.973 0.554 0.956 0.647 CB 1.696 69 residues pruned to eliminate duplicates Z: 65 63.452 2.320 1.003 0.580 0.938 0.703 CB 1.685 65 residues pruned to eliminate duplicates Z: 66 65.854 2.290 0.989 0.606 0.954 0.723 CB 1.699 66 residues pruned to eliminate duplicates Z: 67 65.731 2.293 0.951 0.580 0.985 0.742 CB 1.700 67 residues pruned to eliminate duplicates Z: 66 64.329 2.330 0.977 0.574 0.938 0.662 CB 1.718 66 residues pruned to eliminate duplicates Z: 56 66.127 2.319 1.015 0.648 0.982 0.782 CB 1.692 56 residues pruned to eliminate duplicates Z: 65 62.478 2.322 0.973 0.601 0.922 0.781 CB 1.680 65 residues pruned to eliminate duplicates Z: 96 77.850 2.276 1.062 0.614 0.926 0.632 CB 1.648 96 residues pruned to eliminate duplicates Z: 65 65.239 2.332 1.002 0.603 0.938 0.781 CB 1.689 65 residues pruned to eliminate duplicates Z: 61 65.005 2.351 1.027 0.595 0.933 0.633 CB 1.724 61 residues pruned to eliminate duplicates Z: 40 46.536 2.252 0.826 0.679 0.923 0.769 CA 1.665 40 residues pruned to eliminate duplicates Z: 64 66.037 2.359 0.976 0.592 0.952 0.746 CB 1.716 64 residues pruned to eliminate duplicates Z: 55 64.275 2.339 0.959 0.655 0.963 0.778 CB 1.715 55 residues pruned to eliminate duplicates Z: 64 65.786 2.334 1.032 0.606 0.937 0.651 CB 1.687 64 residues pruned to eliminate duplicates Z: 103 86.699 2.309 1.155 0.623 0.941 0.657 CB 1.632 104 residues pruned to eliminate duplicates Z: 8 12.346 1.989 0.578 0.713 0.857 0.429 N 1.430 8 residues pruned to eliminate duplicates Z: 56 69.827 2.332 1.045 0.648 1.000 0.709 CB 1.720 56 residues pruned to eliminate duplicates Z: 127 90.218 2.298 0.987 0.608 0.952 0.738 CB 1.668 127 residues pruned to eliminate duplicates Z: 59 69.702 2.362 1.058 0.609 0.983 0.707 CB 1.728 59 residues pruned to eliminate duplicates Z: 113 81.978 2.285 0.932 0.615 0.955 0.688 CB 1.648 113 residues pruned to eliminate duplicates Z: 67 64.589 2.288 1.051 0.573 0.955 0.697 CB 1.655 67 residues pruned to eliminate duplicates Z: 60 68.104 2.380 0.978 0.622 0.966 0.695 CB 1.738 60 residues pruned to eliminate duplicates Z: 77 72.773 2.316 1.106 0.581 0.947 0.671 CB 1.672 77 residues pruned to eliminate duplicates Z: 64 66.503 2.344 0.995 0.589 0.968 0.683 CB 1.699 64 residues pruned to eliminate duplicates Z: 22 29.947 2.265 0.841 0.527 0.905 0.762 CB 1.686 22 residues pruned to eliminate duplicates Z: 61 66.913 2.329 1.050 0.596 0.950 0.750 CB 1.738 61 residues pruned to eliminate duplicates Z: 57 67.408 2.319 1.053 0.642 1.000 0.750 CB 1.657 57 residues pruned to eliminate duplicates Z: 26 37.086 2.317 0.937 0.512 0.920 0.600 CB 1.775 26 residues pruned to eliminate duplicates Z: 109 75.021 2.222 1.089 0.579 0.907 0.620 CB 1.588 109 residues pruned to eliminate duplicates Z: 60 66.630 2.341 1.025 0.611 0.966 0.729 CB 1.705 60 residues pruned to eliminate duplicates Z: 125 90.986 2.285 1.022 0.603 0.952 0.734 CB 1.685 124 residues pruned to eliminate duplicates 6 1.786 1.514 0.861 0.249 0.800 0.600 CB 0.473 ? Z: 6 6.098 2.068 0.785 0.276 0.600 0.400 CB 1.588 Z: 6 4.568 1.782 0.371 0.366 0.800 0.800 CA 1.207 12 residues pruned to eliminate duplicates Z: 65 68.743 2.317 1.070 0.599 0.984 0.750 CB 1.656 65 residues pruned to eliminate duplicates Z: 66 66.657 2.336 1.029 0.606 0.938 0.738 CB 1.680 66 residues pruned to eliminate duplicates Z: 61 64.064 2.331 1.012 0.601 0.950 0.750 CB 1.687 61 residues pruned to eliminate duplicates Z: 54 64.939 2.340 0.985 0.674 0.943 0.679 CB 1.734 54 residues pruned to eliminate duplicates Z: 56 68.605 2.342 1.065 0.667 0.945 0.691 CB 1.734 56 residues pruned to eliminate duplicates Z: 81 63.163 2.242 1.064 0.544 0.900 0.637 CB 1.624 81 residues pruned to eliminate duplicates Z: 8 7.428 1.864 0.732 0.373 0.857 0.429 CA 1.163 8 residues pruned to eliminate duplicates Z: 8 8.353 2.054 1.031 0.340 0.714 0.286 CA 1.261 8 residues pruned to eliminate duplicates Z: 10 8.727 1.987 0.857 0.294 0.778 0.556 CA 1.276 10 residues pruned to eliminate duplicates Z: 10 10.219 1.949 0.858 0.269 0.778 0.333 CB 1.574 10 residues pruned to eliminate duplicates Z: 31 33.916 2.146 1.124 0.526 0.867 0.367 CB 1.529 31 residues pruned to eliminate duplicates Z: 79 57.112 2.194 0.766 0.591 0.936 0.628 CB 1.634 90 residues pruned to eliminate duplicates Z: 71 62.516 2.257 0.904 0.563 0.943 0.671 CB 1.735 71 residues pruned to eliminate duplicates Z: 66 57.302 2.257 0.769 0.575 0.969 0.662 CB 1.708 66 residues pruned to eliminate duplicates Z: 61 57.938 2.262 0.815 0.606 0.983 0.683 CB 1.675 61 residues pruned to eliminate duplicates Z: 62 58.116 2.273 0.889 0.588 0.967 0.738 CB 1.648 62 residues pruned to eliminate duplicates Z: 67 55.541 2.223 0.807 0.588 0.955 0.742 CB 1.638 67 residues pruned to eliminate duplicates Z: 63 57.297 2.245 0.794 0.609 0.968 0.758 CB 1.684 63 residues pruned to eliminate duplicates Z: 71 58.773 2.231 0.911 0.544 0.971 0.686 CB 1.624 71 residues pruned to eliminate duplicates Z: 61 59.589 2.270 0.918 0.599 0.967 0.733 CB 1.663 61 residues pruned to eliminate duplicates Z: 120 88.736 2.302 0.920 0.625 0.975 0.739 CB 1.678 120 residues pruned to eliminate duplicates Z: 59 63.919 2.302 0.874 0.624 1.000 0.724 CB 1.730 59 residues pruned to eliminate duplicates Z: 71 53.936 2.191 0.837 0.543 0.957 0.686 CB 1.606 71 residues pruned to eliminate duplicates Z: 60 57.973 2.273 0.813 0.602 0.983 0.610 CB 1.691 60 residues pruned to eliminate duplicates Z: 67 57.705 2.273 0.840 0.572 0.955 0.712 CB 1.659 67 residues pruned to eliminate duplicates Z: 59 56.550 2.242 0.817 0.643 0.966 0.690 CB 1.651 59 residues pruned to eliminate duplicates Z: 66 57.649 2.280 0.816 0.576 0.938 0.692 CB 1.710 66 residues pruned to eliminate duplicates Z: 60 60.665 2.279 0.896 0.613 0.966 0.712 CB 1.700 60 residues pruned to eliminate duplicates Z: 59 63.353 2.293 0.884 0.628 1.000 0.672 CB 1.707 59 residues pruned to eliminate duplicates Z: 70 64.539 2.277 0.974 0.571 0.971 0.754 CB 1.663 70 residues pruned to eliminate duplicates Z: 67 61.829 2.274 0.965 0.572 0.955 0.636 CB 1.665 67 residues pruned to eliminate duplicates Z: 68 55.746 2.245 0.817 0.571 0.955 0.642 CB 1.631 68 residues pruned to eliminate duplicates Z: 63 57.915 2.245 0.850 0.597 0.968 0.629 CB 1.669 63 residues pruned to eliminate duplicates Z: 52 44.941 2.143 0.770 0.588 0.961 0.647 CB 1.587 52 residues pruned to eliminate duplicates Z: 67 53.177 2.209 0.846 0.571 0.939 0.606 CB 1.595 67 residues pruned to eliminate duplicates Z: 60 61.776 2.267 0.927 0.617 1.000 0.712 CB 1.649 60 residues pruned to eliminate duplicates Z: 62 59.474 2.255 0.913 0.595 0.967 0.689 CB 1.667 62 residues pruned to eliminate duplicates Z: 66 63.589 2.291 0.937 0.601 0.954 0.769 CB 1.693 66 residues pruned to eliminate duplicates Z: 64 55.901 2.232 0.903 0.596 0.952 0.667 CB 1.588 64 residues pruned to eliminate duplicates Z: 57 57.145 2.255 0.926 0.630 0.946 0.696 CB 1.644 57 residues pruned to eliminate duplicates Z: 47 40.784 2.156 0.668 0.586 0.957 0.717 CB 1.610 47 residues pruned to eliminate duplicates Z: 67 59.743 2.257 0.866 0.578 0.970 0.621 CB 1.670 67 residues pruned to eliminate duplicates Z: 56 61.595 2.264 0.928 0.650 1.000 0.636 CB 1.655 56 residues pruned to eliminate duplicates Z: 50 46.835 2.153 0.762 0.620 0.980 0.571 CB 1.607 50 residues pruned to eliminate duplicates Z: 63 57.365 2.216 0.875 0.604 0.984 0.710 CB 1.614 63 residues pruned to eliminate duplicates Z: 67 64.019 2.266 0.990 0.604 0.939 0.682 CB 1.686 67 residues pruned to eliminate duplicates Z: 64 60.393 2.246 0.884 0.601 0.984 0.698 CB 1.661 64 residues pruned to eliminate duplicates Z: 68 57.555 2.235 0.875 0.572 0.955 0.657 CB 1.638 68 residues pruned to eliminate duplicates Z: 66 57.529 2.253 0.856 0.563 0.954 0.692 CB 1.683 66 residues pruned to eliminate duplicates Z: 68 59.218 2.248 0.900 0.577 0.940 0.672 CB 1.673 68 residues pruned to eliminate duplicates Z: 66 65.450 2.277 0.981 0.589 0.985 0.692 CB 1.678 66 residues pruned to eliminate duplicates Z: 67 63.116 2.266 0.916 0.590 0.970 0.712 CB 1.693 67 residues pruned to eliminate duplicates Z: 64 56.853 2.250 0.902 0.583 0.937 0.746 CB 1.650 64 residues pruned to eliminate duplicates Z: 60 61.106 2.267 0.912 0.616 0.983 0.678 CB 1.673 60 residues pruned to eliminate duplicates Z: 62 57.976 2.265 0.855 0.597 0.951 0.672 CB 1.693 62 residues pruned to eliminate duplicates Z: 66 62.435 2.285 0.927 0.581 0.969 0.708 CB 1.678 66 residues pruned to eliminate duplicates Z: 64 57.216 2.239 0.834 0.584 0.968 0.619 CB 1.673 64 residues pruned to eliminate duplicates Z: 121 90.289 2.294 0.967 0.620 0.967 0.700 CB 1.687 121 residues pruned to eliminate duplicates Z: 61 60.223 2.269 0.860 0.614 0.983 0.800 CB 1.682 61 residues pruned to eliminate duplicates Z: 62 56.423 2.240 0.783 0.597 0.984 0.689 CB 1.676 62 residues pruned to eliminate duplicates Z: 60 58.482 2.269 0.872 0.581 0.983 0.678 CB 1.686 60 residues pruned to eliminate duplicates Z: 67 57.496 2.253 0.811 0.574 0.985 0.742 CB 1.639 67 residues pruned to eliminate duplicates Z: 51 42.766 2.149 0.730 0.575 0.960 0.600 CB 1.577 51 residues pruned to eliminate duplicates Z: 66 58.606 2.259 0.839 0.607 0.954 0.677 CB 1.657 66 residues pruned to eliminate duplicates Z: 123 86.777 2.299 0.963 0.591 0.951 0.656 CB 1.679 123 residues pruned to eliminate duplicates Z: 66 61.382 2.277 0.963 0.593 0.938 0.662 CB 1.661 66 residues pruned to eliminate duplicates Z: 95 68.016 2.182 0.862 0.620 0.947 0.649 CB 1.627 95 residues pruned to eliminate duplicates Z: 65 61.245 2.298 0.884 0.586 0.969 0.641 CB 1.680 65 residues pruned to eliminate duplicates Z: 64 54.921 2.218 0.846 0.604 0.937 0.683 CB 1.635 64 residues pruned to eliminate duplicates Z: 68 61.418 2.243 0.913 0.576 0.970 0.642 CB 1.675 68 residues pruned to eliminate duplicates Z: 61 60.756 2.251 0.915 0.624 0.983 0.750 CB 1.646 61 residues pruned to eliminate duplicates Z: 102 76.819 2.253 0.977 0.625 0.931 0.644 CB 1.639 128 residues pruned to eliminate duplicates Z: 100 67.516 2.201 0.980 0.582 0.909 0.667 CB 1.582 100 residues pruned to eliminate duplicates Z: 70 67.083 2.237 0.997 0.645 0.957 0.710 CB 1.652 70 residues pruned to eliminate duplicates Z: 25 30.146 2.134 1.154 0.542 0.833 0.458 CA 1.542 Z: 6 6.107 1.792 0.575 0.492 0.800 0.400 CA 1.219 6 residues pruned to eliminate duplicates Z: 30 33.207 2.118 1.094 0.528 0.862 0.586 CB 1.568 55 residues pruned to eliminate duplicates Z: 69 62.446 2.256 1.024 0.613 0.912 0.618 CB 1.634 69 residues pruned to eliminate duplicates Z: 14 10.438 1.978 0.691 0.348 0.692 0.385 CB 1.473 Z: 6 3.850 1.670 0.735 0.308 0.600 0.600 CA 1.226 5 residues pruned to eliminate duplicates Z: 14 12.789 1.930 0.603 0.605 0.769 0.692 CB 1.349 4 residues pruned to eliminate duplicates Z: 11 24.218 2.168 1.186 0.758 0.900 0.800 CA 1.427 11 residues pruned to eliminate duplicates Z: 16 32.213 2.003 1.128 0.831 1.000 0.600 CA 1.466 25 residues pruned to eliminate duplicates Z: 14 31.943 2.067 1.169 0.884 0.923 0.769 CB 1.547 15 residues pruned to eliminate duplicates Z: 15 29.109 1.964 0.948 0.897 1.000 0.857 CA 1.455 15 residues pruned to eliminate duplicates Z: 16 20.627 2.032 0.818 0.653 0.800 0.733 CB 1.563 16 residues pruned to eliminate duplicates Z: 20 33.166 2.215 1.127 0.674 0.895 0.737 CB 1.537 16 residues pruned to eliminate duplicates Z: 12 35.050 2.240 1.162 0.885 1.000 0.909 CA 1.576 12 residues pruned to eliminate duplicates Z: 34 41.502 2.122 1.030 0.646 0.909 0.667 CB 1.610 27 residues pruned to eliminate duplicates Z: 14 31.554 2.170 1.067 0.818 0.923 0.846 CA 1.603 14 residues pruned to eliminate duplicates Z: 42 46.660 2.174 1.122 0.614 0.902 0.756 CB 1.571 26 residues pruned to eliminate duplicates Z: 8 17.833 2.193 0.384 0.885 1.000 0.571 CA 1.603 8 residues pruned to eliminate duplicates Z: 59 44.283 2.054 1.132 0.539 0.862 0.603 CB 1.482 101 residues pruned to eliminate duplicates Z: 12 12.358 1.958 0.585 0.681 0.818 0.636 CB 1.243 Z: 10 17.735 1.970 0.521 0.866 1.000 0.778 CA 1.445 12 residues pruned to eliminate duplicates Z: 12 17.029 1.948 0.621 0.771 1.000 0.545 CB 1.280 11 residues pruned to eliminate duplicates Z: 11 20.538 1.964 0.957 0.812 1.000 0.500 CB 1.287 11 residues pruned to eliminate duplicates Z: 14 14.310 1.851 0.939 0.769 0.846 0.462 CB 1.030 15 residues pruned to eliminate duplicates Z: 22 33.114 2.028 1.138 0.813 0.857 0.667 CA 1.481 10 residues pruned to eliminate duplicates Z: 6 3.418 1.425 1.295 0.286 0.600 0.400 C 0.992 6 residues pruned to eliminate duplicates Z: 47 38.445 2.134 0.908 0.598 0.848 0.435 CB 1.495 47 residues pruned to eliminate duplicates Z: 15 23.449 1.924 0.916 0.679 1.000 0.786 CB 1.442 15 residues pruned to eliminate duplicates Z: 27 35.736 2.140 0.932 0.711 0.846 0.462 CA 1.653 27 residues pruned to eliminate duplicates Z: 15 26.985 1.956 1.007 0.624 1.000 0.929 CA 1.633 15 residues pruned to eliminate duplicates Z: 25 44.931 2.142 1.416 0.685 0.958 0.708 CB 1.561 25 residues pruned to eliminate duplicates Z: 62 57.818 2.249 0.902 0.621 0.951 0.787 CB 1.624 62 residues pruned to eliminate duplicates Z: 55 60.410 2.269 0.892 0.660 0.981 0.796 CA 1.683 55 residues pruned to eliminate duplicates Z: 60 59.960 2.243 0.934 0.638 0.983 0.797 CB 1.608 60 residues pruned to eliminate duplicates Z: 65 61.555 2.252 1.026 0.610 0.922 0.828 CB 1.648 65 residues pruned to eliminate duplicates Z: 66 63.136 2.178 0.975 0.641 0.969 0.708 CB 1.647 66 residues pruned to eliminate duplicates Z: 62 56.847 2.222 0.906 0.609 0.951 0.721 CB 1.630 62 residues pruned to eliminate duplicates Z: 70 55.444 2.218 0.911 0.571 0.913 0.754 CB 1.609 70 residues pruned to eliminate duplicates Z: 61 57.338 2.253 0.918 0.616 0.933 0.733 CB 1.644 61 residues pruned to eliminate duplicates Z: 66 65.395 2.261 0.967 0.635 0.985 0.723 CB 1.632 66 residues pruned to eliminate duplicates Z: 65 65.464 2.271 1.019 0.623 0.969 0.797 CB 1.641 65 residues pruned to eliminate duplicates Z: 52 41.442 2.123 0.749 0.607 0.941 0.647 CB 1.500 52 residues pruned to eliminate duplicates Z: 56 55.964 2.253 0.923 0.658 0.945 0.836 CB 1.591 56 residues pruned to eliminate duplicates Z: 55 61.941 2.276 0.985 0.673 0.981 0.833 CB 1.620 55 residues pruned to eliminate duplicates Z: 64 63.007 2.288 0.947 0.617 0.968 0.762 CB 1.648 64 residues pruned to eliminate duplicates Z: 62 58.134 2.231 0.890 0.621 0.967 0.770 CB 1.627 62 residues pruned to eliminate duplicates Z: 64 63.087 2.285 1.010 0.589 0.968 0.714 CB 1.641 64 residues pruned to eliminate duplicates Z: 57 58.326 2.254 0.904 0.665 0.964 0.750 CB 1.617 57 residues pruned to eliminate duplicates Z: 65 61.327 2.250 0.946 0.612 0.969 0.688 CB 1.626 65 residues pruned to eliminate duplicates Z: 63 48.755 2.157 0.862 0.585 0.935 0.710 CB 1.518 63 residues pruned to eliminate duplicates Z: 80 62.126 2.186 0.979 0.593 0.911 0.671 CB 1.622 80 residues pruned to eliminate duplicates Z: 55 57.420 2.255 0.949 0.643 0.981 0.759 CB 1.585 55 residues pruned to eliminate duplicates Z: 66 59.624 2.212 0.990 0.617 0.969 0.738 CB 1.552 66 residues pruned to eliminate duplicates Z: 81 59.790 2.184 0.873 0.604 0.938 0.663 CB 1.579 81 residues pruned to eliminate duplicates Z: 58 60.074 2.271 0.916 0.634 1.000 0.719 CB 1.613 58 residues pruned to eliminate duplicates Z: 66 59.607 2.236 0.948 0.610 0.954 0.723 CB 1.603 66 residues pruned to eliminate duplicates Z: 61 57.791 2.272 0.922 0.610 0.950 0.733 CB 1.621 61 residues pruned to eliminate duplicates Z: 57 58.262 2.266 0.941 0.644 0.946 0.821 CB 1.635 57 residues pruned to eliminate duplicates Z: 56 60.908 2.257 0.950 0.660 1.000 0.764 CB 1.608 56 residues pruned to eliminate duplicates Z: 61 61.475 2.266 0.948 0.621 0.967 0.750 CB 1.659 61 residues pruned to eliminate duplicates Z: 62 58.220 2.241 0.902 0.600 0.967 0.721 CB 1.643 62 residues pruned to eliminate duplicates Z: 56 61.460 2.282 0.969 0.655 0.982 0.800 CB 1.627 56 residues pruned to eliminate duplicates Z: 58 53.276 2.201 0.870 0.653 0.965 0.772 CB 1.541 58 residues pruned to eliminate duplicates Z: 40 55.724 2.235 0.975 0.750 1.000 0.821 CB 1.618 40 residues pruned to eliminate duplicates Z: 47 47.484 2.158 0.931 0.657 0.957 0.761 CB 1.518 47 residues pruned to eliminate duplicates Z: 48 48.904 2.148 0.899 0.663 0.936 0.766 CB 1.606 48 residues pruned to eliminate duplicates Z: 48 53.086 2.208 0.961 0.655 0.936 0.787 CB 1.654 48 residues pruned to eliminate duplicates Z: 41 39.889 2.074 0.903 0.656 0.900 0.500 CB 1.536 41 residues pruned to eliminate duplicates Z: 42 36.999 2.122 0.856 0.628 0.854 0.610 CB 1.524 42 residues pruned to eliminate duplicates Z: 26 51.019 2.280 1.144 0.775 0.960 0.640 CB 1.706 26 residues pruned to eliminate duplicates Z: 87 51.512 2.114 0.791 0.590 0.907 0.628 CB 1.483 87 residues pruned to eliminate duplicates Z: 27 51.343 2.216 1.251 0.739 0.962 0.615 CB 1.694 27 residues pruned to eliminate duplicates Z: 38 41.166 2.116 0.844 0.657 0.946 0.622 CB 1.585 38 residues pruned to eliminate duplicates Z: 18 35.345 2.300 1.027 0.690 0.882 0.412 CA 1.751 18 residues pruned to eliminate duplicates Z: 88 72.041 2.196 1.097 0.651 0.943 0.736 CB 1.546 65 residues pruned to eliminate duplicates Z: 15 36.966 2.105 1.016 0.918 1.000 0.786 CA 1.641 16 residues pruned to eliminate duplicates Z: 16 33.008 2.007 1.116 0.866 1.000 0.733 CB 1.470 16 residues pruned to eliminate duplicates Z: 37 42.688 2.173 0.865 0.697 0.917 0.611 CB 1.600 27 residues pruned to eliminate duplicates Z: 14 32.502 2.062 1.329 0.838 1.000 0.615 CB 1.403 14 residues pruned to eliminate duplicates Z: 36 44.913 2.182 1.055 0.704 0.886 0.600 CB 1.588 36 residues pruned to eliminate duplicates Z: 40 45.029 2.113 0.960 0.676 0.923 0.590 CB 1.603 40 residues pruned to eliminate duplicates Z: 45 40.120 2.108 0.812 0.633 0.886 0.614 CB 1.576 37 residues pruned to eliminate duplicates Z: 24 31.718 2.079 0.771 0.775 0.957 0.478 CB 1.472 24 residues pruned to eliminate duplicates Z: 38 46.278 2.166 0.988 0.698 0.919 0.595 CB 1.606 44 residues pruned to eliminate duplicates Z: 10 19.038 1.957 0.737 0.856 1.000 0.333 CB 1.377 10 residues pruned to eliminate duplicates Z: 15 8.773 1.798 0.299 0.623 0.786 0.214 CA 1.137 15 residues pruned to eliminate duplicates Z: 14 17.520 1.948 0.696 0.681 0.846 0.462 CB 1.472 14 residues pruned to eliminate duplicates Z: 22 13.143 1.846 0.668 0.431 0.762 0.286 CB 1.312 22 residues pruned to eliminate duplicates Z: 14 14.054 1.919 0.606 0.549 0.769 0.308 CB 1.568 14 residues pruned to eliminate duplicates Z: 17 14.604 1.814 0.520 0.611 0.812 0.312 CB 1.466 17 residues pruned to eliminate duplicates Z: 19 13.886 1.732 0.640 0.573 0.778 0.389 CA 1.380 19 residues pruned to eliminate duplicates Z: 44 40.040 2.113 1.001 0.625 0.860 0.442 CB 1.491 44 residues pruned to eliminate duplicates Z: 45 47.467 2.153 0.993 0.641 0.909 0.636 CB 1.608 39 residues pruned to eliminate duplicates Z: 6 2.795 1.366 0.884 0.304 0.800 0.400 CB 0.755 Z: 6 2.605 1.375 1.001 0.308 0.800 0.800 CB 0.656 10 residues pruned to eliminate duplicates Z: 6 3.288 1.740 0.963 0.403 1.000 0.400 CB 0.477 6 residues pruned to eliminate duplicates Z: 66 61.135 2.274 0.930 0.594 0.954 0.738 CB 1.656 66 residues pruned to eliminate duplicates Z: 63 60.172 2.281 0.950 0.606 0.952 0.790 CB 1.633 63 residues pruned to eliminate duplicates Z: 70 57.598 2.234 0.820 0.584 0.986 0.696 CB 1.597 70 residues pruned to eliminate duplicates Z: 33 39.473 2.180 0.896 0.620 0.969 0.844 CA 1.555 33 residues pruned to eliminate duplicates Z: 59 58.892 2.272 0.864 0.638 0.966 0.724 CB 1.662 59 residues pruned to eliminate duplicates Z: 70 61.922 2.224 0.953 0.577 0.971 0.667 CB 1.642 70 residues pruned to eliminate duplicates Z: 62 62.382 2.256 0.953 0.620 0.967 0.820 CB 1.674 62 residues pruned to eliminate duplicates Z: 63 55.757 2.221 0.914 0.607 0.919 0.677 CB 1.637 63 residues pruned to eliminate duplicates Z: 70 59.391 2.218 0.954 0.597 0.957 0.696 CB 1.572 70 residues pruned to eliminate duplicates Z: 66 61.063 2.245 0.960 0.608 0.954 0.708 CB 1.629 66 residues pruned to eliminate duplicates Z: 59 62.018 2.273 0.977 0.647 0.966 0.810 CB 1.637 59 residues pruned to eliminate duplicates Z: 61 61.329 2.271 0.961 0.616 0.967 0.733 CB 1.649 61 residues pruned to eliminate duplicates Z: 62 57.906 2.222 0.909 0.621 0.984 0.803 CB 1.584 62 residues pruned to eliminate duplicates Z: 64 57.414 2.225 0.953 0.582 0.952 0.667 CB 1.616 64 residues pruned to eliminate duplicates Z: 60 63.055 2.247 1.001 0.635 0.983 0.763 CB 1.637 60 residues pruned to eliminate duplicates Z: 66 63.173 2.239 0.992 0.605 0.985 0.800 CB 1.615 66 residues pruned to eliminate duplicates Z: 45 40.941 2.185 0.975 0.632 0.864 0.545 CB 1.463 40 residues pruned to eliminate duplicates Z: 6 6.859 1.501 1.182 0.407 1.000 0.400 CA 1.032 6 residues pruned to eliminate duplicates Z: 29 41.775 2.152 1.236 0.643 0.893 0.679 CB 1.608 29 residues pruned to eliminate duplicates Z: 16 21.752 1.975 1.011 0.578 0.800 0.733 CB 1.640 13 residues pruned to eliminate duplicates Z: 6 4.015 1.499 1.009 0.456 0.800 0.600 CA 0.779 6 residues pruned to eliminate duplicates Z: 106 69.148 2.224 0.904 0.586 0.905 0.667 CB 1.623 154 residues pruned to eliminate duplicates Z: 19 19.083 1.975 0.901 0.488 0.944 0.500 CB 1.284 Z: 6 4.408 1.492 0.471 0.448 0.800 0.800 C 1.184 6 residues pruned to eliminate duplicates Z: 27 32.957 2.153 0.931 0.698 0.962 0.577 CB 1.349 20 residues pruned to eliminate duplicates Z: 16 31.882 2.104 1.192 0.769 1.000 0.667 CB 1.407 15 residues pruned to eliminate duplicates Z: 14 27.062 2.099 0.954 0.888 1.000 0.692 CB 1.318 14 residues pruned to eliminate duplicates Z: 28 40.880 2.179 1.061 0.657 0.963 0.593 CB 1.572 28 residues pruned to eliminate duplicates Z: 14 30.805 2.055 1.210 0.875 0.923 0.615 CB 1.482 14 residues pruned to eliminate duplicates Z: 36 43.544 2.187 1.073 0.683 0.914 0.657 CB 1.501 27 residues pruned to eliminate duplicates Z: 14 36.469 2.147 1.128 0.886 1.000 0.769 CB 1.596 14 residues pruned to eliminate duplicates Z: 36 43.067 2.189 1.062 0.678 0.943 0.657 CB 1.453 36 residues pruned to eliminate duplicates Z: 14 30.674 2.129 1.050 0.843 1.000 0.538 CB 1.451 14 residues pruned to eliminate duplicates Z: 33 29.269 2.027 0.809 0.588 0.906 0.531 CB 1.431 33 residues pruned to eliminate duplicates Z: 27 40.121 2.165 1.065 0.714 0.923 0.731 CB 1.570 27 residues pruned to eliminate duplicates Z: 40 37.590 2.136 0.835 0.645 0.897 0.641 CB 1.495 40 residues pruned to eliminate duplicates Z: 39 36.593 2.087 0.864 0.659 0.895 0.632 CB 1.472 39 residues pruned to eliminate duplicates Z: 43 39.035 2.164 0.875 0.608 0.905 0.667 CB 1.481 36 residues pruned to eliminate duplicates Z: 10 16.494 1.911 0.631 0.859 1.000 0.778 CB 1.298 10 residues pruned to eliminate duplicates Z: 46 31.462 2.078 0.844 0.522 0.867 0.533 CB 1.382 46 residues pruned to eliminate duplicates Z: 21 15.107 2.017 0.749 0.482 0.800 0.350 CB 1.219 19 residues pruned to eliminate duplicates Z: 26 12.926 1.827 0.747 0.354 0.760 0.280 CB 1.248 26 residues pruned to eliminate duplicates Z: 17 9.626 1.737 0.579 0.448 0.750 0.375 CB 1.234 17 residues pruned to eliminate duplicates Z: 12 14.555 1.956 0.667 0.718 0.818 0.455 CB 1.350 12 residues pruned to eliminate duplicates Z: 10 16.479 2.011 0.604 0.783 0.889 0.778 CB 1.493 10 residues pruned to eliminate duplicates Z: 29 27.897 2.044 0.874 0.680 0.857 0.607 CB 1.360 29 residues pruned to eliminate duplicates Z: 44 38.337 2.115 0.941 0.616 0.907 0.651 CB 1.406 45 residues pruned to eliminate duplicates Z: 13 13.991 1.912 0.766 0.613 0.833 0.667 CB 1.290 13 residues pruned to eliminate duplicates Z: 18 10.641 1.761 0.521 0.559 0.824 0.529 CB 1.105 18 residues pruned to eliminate duplicates Z: 11 6.716 1.917 0.292 0.320 0.800 0.200 CB 1.307 11 residues pruned to eliminate duplicates Z: 9 9.488 2.090 0.676 0.389 0.875 0.500 CB 1.231 9 residues pruned to eliminate duplicates Z: 11 7.084 2.043 0.493 0.333 0.700 0.400 CB 1.259 11 residues pruned to eliminate duplicates Z: 54 39.694 2.159 0.677 0.544 0.943 0.585 CB 1.529 98 residues pruned to eliminate duplicates Z: 66 57.440 2.255 0.806 0.574 0.954 0.723 CB 1.707 66 residues pruned to eliminate duplicates Z: 66 60.318 2.254 0.852 0.588 0.969 0.692 CB 1.700 66 residues pruned to eliminate duplicates Z: 65 59.665 2.279 0.832 0.582 0.953 0.719 CB 1.733 65 residues pruned to eliminate duplicates Z: 63 59.116 2.256 0.857 0.610 0.935 0.694 CB 1.726 63 residues pruned to eliminate duplicates Z: 64 57.318 2.249 0.820 0.596 0.968 0.746 CB 1.662 64 residues pruned to eliminate duplicates Z: 71 54.387 2.216 0.838 0.543 0.929 0.671 CB 1.649 71 residues pruned to eliminate duplicates Z: 68 56.981 2.247 0.846 0.584 0.955 0.642 CB 1.620 68 residues pruned to eliminate duplicates Z: 65 58.677 2.271 0.893 0.586 0.922 0.750 CB 1.705 65 residues pruned to eliminate duplicates Z: 65 59.613 2.257 0.876 0.569 0.969 0.656 CB 1.699 65 residues pruned to eliminate duplicates Z: 114 87.310 2.329 0.931 0.610 0.938 0.673 CB 1.754 114 residues pruned to eliminate duplicates Z: 64 59.730 2.250 0.944 0.574 0.968 0.651 CB 1.654 64 residues pruned to eliminate duplicates Z: 65 56.025 2.238 0.779 0.586 0.938 0.703 CB 1.728 65 residues pruned to eliminate duplicates Z: 65 64.541 2.280 0.919 0.583 0.984 0.734 CB 1.730 65 residues pruned to eliminate duplicates Z: 65 56.287 2.247 0.850 0.577 0.938 0.719 CB 1.676 65 residues pruned to eliminate duplicates Z: 66 57.461 2.156 0.909 0.569 0.969 0.754 CB 1.671 64 residues pruned to eliminate duplicates Z: 16 20.164 2.118 0.183 0.904 1.000 0.867 CA 1.479 16 residues pruned to eliminate duplicates Z: 50 44.724 2.126 0.722 0.651 0.959 0.612 CB 1.581 50 residues pruned to eliminate duplicates Z: 57 61.856 2.247 0.886 0.660 0.964 0.768 CB 1.744 57 residues pruned to eliminate duplicates Z: 63 61.555 2.257 0.957 0.589 0.952 0.710 CB 1.707 63 residues pruned to eliminate duplicates Z: 63 57.687 2.200 0.870 0.602 0.952 0.694 CA 1.699 63 residues pruned to eliminate duplicates Z: 71 55.627 2.224 0.887 0.551 0.929 0.686 CB 1.624 71 residues pruned to eliminate duplicates Z: 68 58.889 2.230 0.868 0.577 0.940 0.642 CB 1.705 68 residues pruned to eliminate duplicates Z: 64 65.240 2.285 0.954 0.583 0.952 0.730 CA 1.785 67 residues pruned to eliminate duplicates Z: 15 27.293 2.151 0.619 0.942 0.929 0.786 CA 1.565 15 residues pruned to eliminate duplicates Z: 119 94.717 2.312 1.061 0.585 0.949 0.669 CB 1.778 122 residues pruned to eliminate duplicates Z: 17 28.658 2.075 0.966 0.871 0.875 0.750 CA 1.465 17 residues pruned to eliminate duplicates Z: 65 59.647 2.234 0.900 0.573 0.938 0.562 CB 1.746 64 residues pruned to eliminate duplicates Z: 30 38.610 2.129 0.771 0.752 0.966 0.621 CB 1.573 30 residues pruned to eliminate duplicates Z: 71 62.011 2.241 0.898 0.572 0.986 0.671 CB 1.649 71 residues pruned to eliminate duplicates Z: 10 17.402 1.968 0.457 0.764 1.000 0.556 CA 1.600 10 residues pruned to eliminate duplicates Z: 67 59.894 2.241 0.863 0.582 0.955 0.652 CB 1.710 67 residues pruned to eliminate duplicates Z: 70 59.770 2.255 0.898 0.565 0.971 0.638 CB 1.625 70 residues pruned to eliminate duplicates Z: 66 60.588 2.269 0.854 0.569 0.969 0.615 CA 1.725 66 residues pruned to eliminate duplicates Z: 66 61.853 2.257 0.942 0.578 0.954 0.677 CB 1.702 66 residues pruned to eliminate duplicates Z: 61 62.526 2.247 0.950 0.618 0.983 0.733 CA 1.676 62 residues pruned to eliminate duplicates Z: 12 15.556 1.968 0.617 0.771 0.818 0.545 CA 1.418 12 residues pruned to eliminate duplicates Z: 62 59.187 2.266 0.883 0.588 0.951 0.721 CB 1.717 62 residues pruned to eliminate duplicates Z: 64 65.251 2.298 0.943 0.593 0.968 0.683 CB 1.741 65 residues pruned to eliminate duplicates Z: 16 22.283 2.040 0.660 0.725 0.933 0.533 CB 1.485 16 residues pruned to eliminate duplicates Z: 65 62.851 2.254 0.943 0.573 0.969 0.719 CB 1.726 65 residues pruned to eliminate duplicates Z: 67 58.925 2.204 0.894 0.568 0.970 0.606 CB 1.678 67 residues pruned to eliminate duplicates Z: 65 62.198 2.234 1.005 0.565 0.938 0.672 CA 1.739 65 residues pruned to eliminate duplicates Z: 123 89.149 2.272 0.999 0.588 0.951 0.680 CA 1.718 123 residues pruned to eliminate duplicates Z: 66 63.372 2.226 0.951 0.593 0.954 0.692 CB 1.737 64 residues pruned to eliminate duplicates Z: 6 4.905 1.578 0.674 0.472 0.800 0.800 CA 1.068 6 residues pruned to eliminate duplicates Z: 120 93.228 2.302 1.032 0.591 0.958 0.639 CB 1.748 121 residues pruned to eliminate duplicates Z: 6 4.325 1.653 0.440 0.441 1.000 0.600 C 0.863 Z: 6 5.598 1.531 0.744 0.402 1.000 0.600 N 1.039 Z: 65 65.787 2.345 0.988 0.588 0.938 0.750 CB 1.730 71 residues pruned to eliminate duplicates Z: 66 66.352 2.334 1.000 0.588 0.954 0.708 CA 1.699 66 residues pruned to eliminate duplicates Z: 66 65.423 2.337 0.939 0.592 0.954 0.646 CB 1.720 66 residues pruned to eliminate duplicates Z: 67 62.445 2.311 0.933 0.582 0.939 0.667 CA 1.693 67 residues pruned to eliminate duplicates Z: 65 68.179 2.352 0.985 0.594 0.953 0.766 CB 1.750 65 residues pruned to eliminate duplicates Z: 66 64.521 2.342 0.932 0.594 0.938 0.769 CA 1.723 66 residues pruned to eliminate duplicates Z: 65 65.599 2.338 0.945 0.597 0.953 0.703 CA 1.725 65 residues pruned to eliminate duplicates Z: 64 68.296 2.358 1.011 0.603 0.952 0.667 CB 1.727 64 residues pruned to eliminate duplicates Z: 70 58.976 2.267 0.919 0.555 0.957 0.667 CB 1.618 70 residues pruned to eliminate duplicates Z: 67 68.009 2.316 1.055 0.582 0.955 0.682 CA 1.702 67 residues pruned to eliminate duplicates Z: 57 62.327 2.324 0.948 0.629 0.946 0.696 CB 1.721 57 residues pruned to eliminate duplicates Z: 65 71.895 2.357 1.038 0.599 0.984 0.703 CB 1.729 65 residues pruned to eliminate duplicates Z: 56 63.810 2.369 0.938 0.639 0.945 0.782 CB 1.741 56 residues pruned to eliminate duplicates Z: 55 72.535 2.391 1.079 0.661 0.963 0.704 CB 1.776 55 residues pruned to eliminate duplicates Z: 64 67.375 2.342 0.973 0.588 0.968 0.683 CA 1.744 64 residues pruned to eliminate duplicates Z: 64 68.196 2.344 0.981 0.598 0.968 0.698 CB 1.740 64 residues pruned to eliminate duplicates Z: 57 65.835 2.351 1.041 0.616 0.946 0.643 CA 1.737 57 residues pruned to eliminate duplicates Z: 65 69.045 2.351 1.013 0.598 0.969 0.719 CB 1.714 65 residues pruned to eliminate duplicates Z: 61 63.162 2.317 0.946 0.605 0.967 0.733 CB 1.693 61 residues pruned to eliminate duplicates Z: 62 65.813 2.316 1.061 0.621 0.951 0.623 CB 1.656 62 residues pruned to eliminate duplicates Z: 58 72.478 2.372 1.088 0.636 0.965 0.754 CB 1.769 58 residues pruned to eliminate duplicates Z: 125 90.979 2.301 1.010 0.606 0.944 0.685 CB 1.692 68 residues pruned to eliminate duplicates Z: 15 36.014 2.229 0.950 0.948 1.000 0.857 CA 1.529 15 residues pruned to eliminate duplicates Z: 65 66.943 2.335 0.980 0.582 0.969 0.703 CA 1.727 65 residues pruned to eliminate duplicates Z: 55 76.811 2.386 1.121 0.672 1.000 0.685 CB 1.762 57 residues pruned to eliminate duplicates Z: 17 30.367 2.146 1.039 0.873 0.875 0.750 CA 1.444 17 residues pruned to eliminate duplicates Z: 65 70.191 2.349 1.024 0.585 0.969 0.672 CA 1.755 65 residues pruned to eliminate duplicates Z: 76 66.914 2.261 1.031 0.588 0.933 0.613 CB 1.656 76 residues pruned to eliminate duplicates Z: 66 70.252 2.331 1.111 0.576 0.954 0.692 CB 1.726 66 residues pruned to eliminate duplicates Z: 125 88.822 2.307 0.999 0.588 0.944 0.605 CB 1.684 125 residues pruned to eliminate duplicates Z: 57 64.464 2.356 1.010 0.629 0.946 0.661 CB 1.702 57 residues pruned to eliminate duplicates Z: 62 65.619 2.323 1.086 0.593 0.934 0.607 CB 1.698 62 residues pruned to eliminate duplicates Z: 65 67.017 2.328 1.062 0.581 0.938 0.594 CB 1.723 65 residues pruned to eliminate duplicates Z: 53 58.515 2.370 0.995 0.589 0.923 0.692 CA 1.708 53 residues pruned to eliminate duplicates Z: 46 53.409 2.270 1.042 0.619 0.933 0.644 CB 1.645 46 residues pruned to eliminate duplicates Z: 67 67.021 2.314 1.069 0.564 0.939 0.636 CA 1.723 67 residues pruned to eliminate duplicates Z: 64 71.701 2.357 1.047 0.605 0.968 0.683 CA 1.750 64 residues pruned to eliminate duplicates Z: 127 92.067 2.302 1.025 0.592 0.960 0.722 CB 1.678 127 residues pruned to eliminate duplicates Z: 65 67.252 2.356 0.981 0.576 0.953 0.656 CA 1.756 65 residues pruned to eliminate duplicates Z: 67 64.657 2.317 1.038 0.569 0.939 0.621 CB 1.679 67 residues pruned to eliminate duplicates Z: 65 69.313 2.340 1.057 0.591 0.953 0.688 CB 1.731 65 residues pruned to eliminate duplicates Z: 57 68.504 2.361 0.999 0.654 0.964 0.679 CB 1.743 57 residues pruned to eliminate duplicates Z: 66 67.241 2.332 0.985 0.596 0.969 0.677 CB 1.696 66 residues pruned to eliminate duplicates Z: 66 65.809 2.326 0.994 0.578 0.954 0.662 CB 1.711 66 residues pruned to eliminate duplicates Z: 65 65.490 2.360 0.910 0.585 0.953 0.656 CB 1.757 65 residues pruned to eliminate duplicates Z: 71 64.053 2.295 0.976 0.568 0.943 0.586 CB 1.676 71 residues pruned to eliminate duplicates Z: 66 67.063 2.311 1.013 0.591 0.954 0.677 CB 1.718 66 residues pruned to eliminate duplicates Z: 64 70.253 2.352 1.052 0.591 0.952 0.698 CA 1.765 64 residues pruned to eliminate duplicates Z: 59 61.615 2.298 1.016 0.624 0.931 0.690 CB 1.669 59 residues pruned to eliminate duplicates Z: 66 67.607 2.340 0.976 0.583 0.969 0.677 CA 1.727 66 residues pruned to eliminate duplicates Z: 66 70.098 2.340 1.037 0.590 0.969 0.708 CB 1.727 66 residues pruned to eliminate duplicates Z: 51 57.481 2.344 0.879 0.670 0.940 0.760 CB 1.678 51 residues pruned to eliminate duplicates Z: 58 62.662 2.358 0.948 0.607 0.930 0.632 CA 1.756 58 residues pruned to eliminate duplicates Z: 19 30.431 2.108 1.095 0.601 0.944 0.722 CA 1.562 19 residues pruned to eliminate duplicates Z: 54 48.399 2.128 1.111 0.591 0.868 0.642 CB 1.562 33 residues pruned to eliminate duplicates Z: 6 5.319 1.720 0.305 0.363 1.000 0.800 CA 1.228 6 residues pruned to eliminate duplicates Z: 40 32.719 2.094 0.988 0.485 0.846 0.564 CB 1.510 40 residues pruned to eliminate duplicates Z: 19 37.119 2.275 1.174 0.607 0.889 0.778 CA 1.797 19 residues pruned to eliminate duplicates Z: 38 35.712 2.162 1.115 0.539 0.784 0.676 CB 1.577 38 residues pruned to eliminate duplicates Z: 79 74.558 2.291 1.094 0.594 0.936 0.705 CB 1.718 41 residues pruned to eliminate duplicates Z: 6 5.263 1.785 1.230 0.429 0.800 0.600 CA 0.796 6 residues pruned to eliminate duplicates Z: 32 30.636 2.077 1.061 0.518 0.839 0.419 CB 1.505 32 residues pruned to eliminate duplicates Z: 18 39.789 2.253 1.392 0.618 0.882 0.765 CA 1.815 18 residues pruned to eliminate duplicates Z: 92 74.908 2.291 1.033 0.610 0.901 0.582 CB 1.685 92 residues pruned to eliminate duplicates Z: 71 64.995 2.281 0.991 0.593 0.929 0.643 CB 1.687 71 residues pruned to eliminate duplicates Z: 79 73.898 2.325 1.109 0.590 0.897 0.679 CB 1.745 79 residues pruned to eliminate duplicates Z: 6 4.546 1.802 1.052 0.286 0.800 0.800 CA 0.874 6 residues pruned to eliminate duplicates Z: 37 38.661 2.174 1.061 0.588 0.861 0.639 CB 1.534 37 residues pruned to eliminate duplicates Z: 39 24.008 2.038 1.156 0.497 0.789 0.474 CB 1.126 39 residues pruned to eliminate duplicates Z: 32 38.945 2.154 1.266 0.628 0.839 0.548 CB 1.514 32 residues pruned to eliminate duplicates Z: 18 12.228 2.004 0.818 0.571 0.647 0.176 CB 1.174 18 residues pruned to eliminate duplicates Z: 32 41.888 2.171 1.160 0.660 0.903 0.613 CB 1.531 32 residues pruned to eliminate duplicates Z: 32 43.002 2.171 1.180 0.624 0.935 0.516 CB 1.553 32 residues pruned to eliminate duplicates Z: 81 86.284 2.307 1.142 0.658 0.975 0.675 CB 1.729 81 residues pruned to eliminate duplicates Z: 22 23.669 2.032 1.243 0.560 0.810 0.286 CB 1.321 22 residues pruned to eliminate duplicates Z: 48 45.464 2.098 1.098 0.613 0.936 0.489 CB 1.446 48 residues pruned to eliminate duplicates Z: 28 26.710 2.185 1.065 0.612 0.741 0.444 CB 1.383 28 residues pruned to eliminate duplicates Z: 65 60.472 2.295 1.053 0.603 0.859 0.672 CB 1.693 65 residues pruned to eliminate duplicates Z: 30 44.154 2.219 1.090 0.628 0.931 0.793 CB 1.684 30 residues pruned to eliminate duplicates Z: 99 74.954 2.258 1.027 0.613 0.918 0.694 CB 1.618 99 residues pruned to eliminate duplicates Z: 34 33.502 2.114 1.087 0.609 0.818 0.545 CB 1.457 34 residues pruned to eliminate duplicates Z: 22 17.818 1.913 0.735 0.460 0.905 0.381 CB 1.348 22 residues pruned to eliminate duplicates Z: 11 14.343 2.148 0.836 0.626 0.800 0.600 CB 1.277 11 residues pruned to eliminate duplicates Z: 13 17.975 2.076 0.757 0.596 0.833 0.583 CB 1.559 13 residues pruned to eliminate duplicates Z: 13 13.676 1.957 0.952 0.535 0.750 0.417 CB 1.332 13 residues pruned to eliminate duplicates Z: 21 20.463 2.017 1.040 0.466 0.900 0.450 CB 1.279 21 residues pruned to eliminate duplicates Z: 20 15.014 2.045 0.879 0.404 0.737 0.474 CB 1.346 20 residues pruned to eliminate duplicates Z: 12 13.597 2.060 0.907 0.585 0.727 0.545 CB 1.323 12 residues pruned to eliminate duplicates Z: 11 15.800 1.968 1.075 0.598 0.900 0.600 CB 1.238 11 residues pruned to eliminate duplicates Z: 12 12.667 1.858 0.944 0.593 1.000 0.273 CB 0.968 12 residues pruned to eliminate duplicates 450 residues left after pruning, divided into chains as follows: A: 6 B: 37 C: 119 D: 6 E: 21 F: 98 G: 163 CC for partial structure against native data = 37.64 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.442, Connect. = 0.718 for dens.mod. cycle 1 = 0.300, Contrast = 0.515, Connect. = 0.749 for dens.mod. cycle 2 = 0.300, Contrast = 0.608, Connect. = 0.781 for dens.mod. cycle 3 = 0.300, Contrast = 0.617, Connect. = 0.786 for dens.mod. cycle 4 = 0.300, Contrast = 0.627, Connect. = 0.789 for dens.mod. cycle 5 = 0.300, Contrast = 0.630, 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. = 0.794 for dens.mod. cycle 8 = 0.300, Contrast = 0.636, Connect. = 0.796 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) 4284 peaks > 0.5 sigma used to seed fragment search Space for about 746 unique residues taking solvent into account 865 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 62 59.089 2.262 0.902 0.610 0.967 0.754 CB 1.638 B: 41 45.904 2.241 1.112 0.634 0.875 0.525 CB 1.545 C: 63 64.950 2.350 0.955 0.584 0.968 0.677 CB 1.711 D: 67 59.967 2.247 0.858 0.575 0.970 0.636 CB 1.696 E: 61 61.574 2.255 0.890 0.627 0.983 0.750 CB 1.684 62 residues pruned to eliminate duplicates F: 62 55.795 2.255 0.759 0.584 0.951 0.689 CB 1.747 62 residues pruned to eliminate duplicates G: 8 7.404 1.773 0.558 0.688 0.714 0.429 CA 1.194 H: 49 47.606 2.185 0.731 0.597 1.000 0.646 CB 1.656 49 residues pruned to eliminate duplicates I: 16 27.432 2.126 0.648 0.883 0.933 0.800 CA 1.566 16 residues pruned to eliminate duplicates J: 51 48.101 2.138 0.808 0.655 0.980 0.660 CB 1.555 48 residues pruned to eliminate duplicates K: 16 30.990 2.291 0.598 0.788 1.000 0.600 CB 1.696 8 residues pruned to eliminate duplicates L: 62 63.766 2.297 0.892 0.600 0.967 0.754 CB 1.765 62 residues pruned to eliminate duplicates M: 38 43.884 2.182 1.001 0.665 0.838 0.622 CA 1.694 N: 61 57.849 2.294 0.805 0.623 0.983 0.683 CB 1.633 61 residues pruned to eliminate duplicates O: 62 62.846 2.307 0.878 0.601 0.984 0.754 CB 1.715 61 residues pruned to eliminate duplicates P: 76 48.511 2.067 0.784 0.582 0.920 0.493 CB 1.527 76 residues pruned to eliminate duplicates Q: 13 31.919 2.193 1.122 0.883 0.917 0.750 CB 1.562 R: 39 47.155 2.181 1.052 0.659 0.947 0.605 CB 1.556 43 residues pruned to eliminate duplicates S: 104 72.769 2.234 0.916 0.623 0.913 0.641 CB 1.635 38 residues pruned to eliminate duplicates T: 19 17.733 2.001 0.691 0.682 0.722 0.444 CA 1.447 19 residues pruned to eliminate duplicates U: 15 33.173 2.044 1.047 0.897 1.000 0.857 CA 1.517 14 residues pruned to eliminate duplicates V: 55 73.358 2.374 1.018 0.679 1.000 0.778 CB 1.768 16 residues pruned to eliminate duplicates W: 66 58.127 2.271 0.818 0.588 0.954 0.723 CB 1.683 69 residues pruned to eliminate duplicates X: 68 61.052 2.242 0.894 0.586 0.970 0.657 CB 1.667 64 residues pruned to eliminate duplicates Y: 39 47.048 2.167 0.941 0.708 0.921 0.553 CB 1.631 39 residues pruned to eliminate duplicates Z: 70 51.177 2.238 0.723 0.549 0.971 0.710 CB 1.569 70 residues pruned to eliminate duplicates Z: 66 56.331 2.264 0.794 0.588 0.938 0.723 CB 1.684 66 residues pruned to eliminate duplicates Z: 15 15.219 2.141 0.483 0.770 0.643 0.571 CA 1.568 15 residues pruned to eliminate duplicates Z: 77 79.540 2.364 1.108 0.604 0.947 0.645 CB 1.750 73 residues pruned to eliminate duplicates Z: 64 59.960 2.274 0.836 0.610 0.952 0.714 CB 1.712 64 residues pruned to eliminate duplicates Z: 12 35.176 2.185 1.307 0.785 0.909 0.909 CA 1.802 12 residues pruned to eliminate duplicates Z: 67 67.365 2.307 1.032 0.586 0.970 0.712 CB 1.680 63 residues pruned to eliminate duplicates Z: 57 69.282 2.358 1.011 0.643 0.964 0.696 CB 1.771 57 residues pruned to eliminate duplicates Z: 67 58.410 2.269 0.856 0.574 0.955 0.667 CB 1.665 67 residues pruned to eliminate duplicates Z: 67 63.321 2.297 0.914 0.592 0.970 0.742 CB 1.674 67 residues pruned to eliminate duplicates Z: 64 65.302 2.276 0.929 0.612 0.968 0.778 CB 1.742 67 residues pruned to eliminate duplicates Z: 69 65.749 2.278 1.051 0.584 0.941 0.779 CB 1.673 69 residues pruned to eliminate duplicates Z: 112 95.262 2.337 0.961 0.634 0.973 0.748 CB 1.788 150 residues pruned to eliminate duplicates Z: 65 70.711 2.347 1.089 0.603 0.953 0.656 CB 1.715 67 residues pruned to eliminate duplicates Z: 35 46.728 2.247 1.079 0.688 0.882 0.706 CB 1.636 Z: 86 70.329 2.225 1.003 0.643 0.918 0.671 CB 1.632 27 residues pruned to eliminate duplicates Z: 15 26.132 2.158 0.402 0.940 1.000 0.929 CA 1.602 15 residues pruned to eliminate duplicates Z: 14 28.036 2.079 0.946 0.882 0.923 0.692 CA 1.507 14 residues pruned to eliminate duplicates Z: 14 44.085 2.253 1.559 0.835 0.923 0.846 CB 1.722 14 residues pruned to eliminate duplicates Z: 15 22.030 2.238 0.411 0.821 0.857 0.429 CB 1.647 15 residues pruned to eliminate duplicates Z: 38 42.248 2.151 1.039 0.660 0.865 0.486 CB 1.578 38 residues pruned to eliminate duplicates Z: 56 65.468 2.328 1.000 0.654 0.964 0.745 CB 1.704 56 residues pruned to eliminate duplicates Z: 67 70.489 2.342 1.056 0.597 0.970 0.682 CB 1.694 66 residues pruned to eliminate duplicates Z: 14 36.397 2.337 1.223 0.750 0.923 0.846 CB 1.685 14 residues pruned to eliminate duplicates Z: 15 29.770 2.019 0.830 0.885 1.000 0.786 CA 1.556 15 residues pruned to eliminate duplicates Z: 103 85.956 2.310 1.097 0.610 0.931 0.696 CB 1.701 103 residues pruned to eliminate duplicates Z: 7 17.526 1.843 1.428 0.635 1.000 0.833 CB 1.409 6 residues pruned to eliminate duplicates Z: 116 83.355 2.309 0.911 0.595 0.948 0.687 CB 1.698 131 residues pruned to eliminate duplicates Z: 63 62.588 2.271 0.881 0.606 0.968 0.677 CB 1.738 63 residues pruned to eliminate duplicates Z: 23 35.168 2.096 0.866 0.812 0.955 0.591 CB 1.531 23 residues pruned to eliminate duplicates Z: 16 20.093 2.101 0.166 0.911 1.000 0.867 CA 1.501 16 residues pruned to eliminate duplicates Z: 14 36.367 2.165 1.083 0.917 1.000 0.923 CA 1.579 Z: 13 31.551 2.089 1.018 0.911 1.000 0.833 CB 1.531 13 residues pruned to eliminate duplicates Z: 14 29.200 1.995 0.809 0.912 1.000 0.692 CA 1.589 14 residues pruned to eliminate duplicates Z: 62 55.560 2.222 0.891 0.626 0.951 0.754 CB 1.582 67 residues pruned to eliminate duplicates Z: 66 57.563 2.260 0.720 0.587 0.969 0.708 CA 1.744 66 residues pruned to eliminate duplicates Z: 16 29.621 2.356 0.578 0.751 0.933 0.600 CA 1.762 16 residues pruned to eliminate duplicates Z: 27 45.344 2.272 1.270 0.712 0.885 0.538 CB 1.608 27 residues pruned to eliminate duplicates Z: 60 58.764 2.246 0.914 0.634 0.983 0.814 CB 1.597 60 residues pruned to eliminate duplicates Z: 56 71.032 2.396 0.983 0.668 0.964 0.764 CA 1.791 56 residues pruned to eliminate duplicates Z: 60 59.469 2.270 0.789 0.637 0.983 0.780 CB 1.706 59 residues pruned to eliminate duplicates Z: 60 65.499 2.336 0.992 0.609 0.949 0.644 CA 1.740 60 residues pruned to eliminate duplicates Z: 12 17.499 1.984 0.485 0.803 1.000 0.727 CA 1.374 12 residues pruned to eliminate duplicates Z: 66 59.841 2.249 0.920 0.604 0.985 0.738 CB 1.581 63 residues pruned to eliminate duplicates Z: 15 26.435 2.156 0.457 0.913 1.000 0.857 CA 1.592 15 residues pruned to eliminate duplicates Z: 15 24.696 2.064 1.161 0.607 0.857 0.714 CB 1.559 15 residues pruned to eliminate duplicates Z: 12 16.880 2.151 0.421 0.733 0.818 0.545 CA 1.650 12 residues pruned to eliminate duplicates Z: 14 28.917 2.143 1.130 0.803 0.923 0.846 CB 1.460 13 residues pruned to eliminate duplicates Z: 13 30.529 2.235 0.838 0.891 1.000 0.917 CB 1.543 13 residues pruned to eliminate duplicates Z: 60 60.918 2.234 1.032 0.635 0.983 0.780 CB 1.566 60 residues pruned to eliminate duplicates Z: 36 42.436 2.217 1.069 0.679 0.857 0.629 CB 1.548 36 residues pruned to eliminate duplicates Z: 65 65.589 2.347 0.939 0.603 0.938 0.734 CA 1.743 65 residues pruned to eliminate duplicates Z: 16 34.900 2.314 0.883 0.760 1.000 0.600 CA 1.641 16 residues pruned to eliminate duplicates Z: 31 50.757 2.255 1.150 0.655 0.967 0.500 CB 1.713 15 residues pruned to eliminate duplicates Z: 65 65.081 2.321 0.951 0.587 0.969 0.703 CB 1.708 65 residues pruned to eliminate duplicates Z: 15 27.812 2.145 0.677 0.944 1.000 0.857 CB 1.430 15 residues pruned to eliminate duplicates Z: 59 62.643 2.303 0.896 0.625 0.966 0.741 CB 1.734 59 residues pruned to eliminate duplicates Z: 23 29.917 1.993 0.722 0.813 0.955 0.455 CB 1.483 23 residues pruned to eliminate duplicates Z: 63 54.571 2.243 0.864 0.590 0.952 0.694 CB 1.597 63 residues pruned to eliminate duplicates Z: 59 58.703 2.256 0.900 0.638 0.983 0.707 CB 1.608 61 residues pruned to eliminate duplicates Z: 15 32.271 2.359 0.736 0.792 0.929 0.500 CA 1.755 15 residues pruned to eliminate duplicates Z: 68 63.602 2.272 0.962 0.582 0.970 0.687 CB 1.660 68 residues pruned to eliminate duplicates Z: 15 29.939 2.047 0.824 0.885 1.000 0.714 CA 1.548 15 residues pruned to eliminate duplicates Z: 67 60.743 2.260 0.851 0.571 0.955 0.667 CB 1.748 67 residues pruned to eliminate duplicates Z: 17 15.241 2.077 0.266 0.827 0.812 0.562 CA 1.344 17 residues pruned to eliminate duplicates Z: 65 58.931 2.256 0.916 0.618 0.953 0.797 CB 1.600 60 residues pruned to eliminate duplicates Z: 65 59.753 2.212 0.905 0.632 0.969 0.719 CB 1.616 65 residues pruned to eliminate duplicates Z: 12 27.367 2.018 1.623 0.618 0.909 0.727 CA 1.535 12 residues pruned to eliminate duplicates Z: 15 27.043 2.144 0.527 0.913 1.000 0.857 CA 1.563 15 residues pruned to eliminate duplicates Z: 15 33.561 2.365 0.640 0.796 1.000 0.643 CA 1.785 15 residues pruned to eliminate duplicates Z: 10 27.869 2.312 0.769 0.829 1.000 0.778 CA 1.709 10 residues pruned to eliminate duplicates Z: 15 31.042 1.986 0.998 0.865 1.000 0.714 CB 1.532 15 residues pruned to eliminate duplicates Z: 22 30.957 2.095 0.861 0.842 0.857 0.714 CB 1.506 12 residues pruned to eliminate duplicates Z: 60 58.801 2.246 0.917 0.625 0.949 0.729 CB 1.665 60 residues pruned to eliminate duplicates Z: 10 25.931 2.356 0.737 0.833 0.889 0.556 CB 1.782 10 residues pruned to eliminate duplicates Z: 64 67.261 2.303 1.045 0.588 0.952 0.698 CA 1.736 64 residues pruned to eliminate duplicates Z: 15 21.924 2.153 0.717 0.764 0.857 0.571 CA 1.464 15 residues pruned to eliminate duplicates Z: 157 90.106 2.244 0.989 0.584 0.949 0.609 CB 1.572 91 residues pruned to eliminate duplicates Z: 16 33.102 2.331 0.728 0.794 1.000 0.667 CA 1.639 16 residues pruned to eliminate duplicates Z: 60 59.189 2.289 0.795 0.625 0.983 0.797 CB 1.696 60 residues pruned to eliminate duplicates Z: 14 26.889 2.057 0.938 0.818 1.000 0.846 CA 1.419 14 residues pruned to eliminate duplicates Z: 16 31.682 2.084 1.392 0.620 0.933 0.667 CB 1.569 16 residues pruned to eliminate duplicates Z: 63 57.709 2.216 0.962 0.613 0.952 0.758 CB 1.591 63 residues pruned to eliminate duplicates Z: 68 59.487 2.235 0.920 0.620 0.955 0.731 CB 1.583 68 residues pruned to eliminate duplicates Z: 11 22.420 2.038 0.840 0.801 0.900 0.500 CB 1.614 12 residues pruned to eliminate duplicates Z: 63 63.921 2.289 0.944 0.584 0.968 0.710 CB 1.739 63 residues pruned to eliminate duplicates Z: 60 55.106 2.268 0.770 0.626 0.966 0.814 CB 1.642 60 residues pruned to eliminate duplicates Z: 9 21.936 2.056 1.011 0.790 1.000 0.625 CA 1.455 Z: 15 22.670 1.968 0.728 0.865 0.929 0.857 CB 1.406 15 residues pruned to eliminate duplicates Z: 111 80.634 2.286 0.845 0.608 0.964 0.664 CB 1.707 111 residues pruned to eliminate duplicates Z: 15 26.016 2.138 0.430 0.927 1.000 0.786 CA 1.593 15 residues pruned to eliminate duplicates Z: 14 23.415 1.949 1.192 0.655 0.923 0.769 CB 1.425 Z: 15 15.442 2.201 0.123 0.797 0.857 0.643 CA 1.502 15 residues pruned to eliminate duplicates Z: 61 65.931 2.308 1.024 0.612 0.967 0.667 CB 1.695 61 residues pruned to eliminate duplicates Z: 80 75.493 2.300 1.072 0.599 0.924 0.709 CA 1.755 80 residues pruned to eliminate duplicates Z: 63 55.515 2.267 0.799 0.566 0.935 0.710 CB 1.734 63 residues pruned to eliminate duplicates Z: 15 28.583 2.008 0.849 0.874 1.000 0.786 CB 1.497 15 residues pruned to eliminate duplicates Z: 14 34.793 2.232 0.698 0.948 1.000 0.692 CA 1.759 14 residues pruned to eliminate duplicates Z: 63 59.966 2.275 0.881 0.608 0.952 0.742 CB 1.688 63 residues pruned to eliminate duplicates Z: 17 19.685 2.104 0.462 0.725 0.875 0.438 CA 1.492 17 residues pruned to eliminate duplicates Z: 14 34.845 2.241 0.708 0.932 1.000 0.846 CB 1.763 14 residues pruned to eliminate duplicates Z: 14 32.405 2.093 1.017 0.876 1.000 0.615 CB 1.547 14 residues pruned to eliminate duplicates Z: 12 23.577 2.180 0.515 0.833 0.909 0.636 CB 1.776 12 residues pruned to eliminate duplicates Z: 14 27.381 2.123 1.138 0.792 0.923 0.769 CB 1.403 14 residues pruned to eliminate duplicates Z: 63 52.452 2.257 0.803 0.553 0.903 0.645 CB 1.721 63 residues pruned to eliminate duplicates Z: 64 60.705 2.258 0.862 0.600 0.937 0.698 CB 1.765 64 residues pruned to eliminate duplicates Z: 13 17.913 1.939 0.936 0.643 0.833 0.667 CB 1.446 13 residues pruned to eliminate duplicates Z: 20 20.056 2.074 0.745 0.525 0.842 0.526 CB 1.474 20 residues pruned to eliminate duplicates Z: 15 35.314 2.063 1.010 0.894 1.000 0.643 CA 1.633 15 residues pruned to eliminate duplicates Z: 16 29.381 2.144 0.803 0.878 0.933 0.867 CB 1.526 16 residues pruned to eliminate duplicates Z: 16 28.351 2.192 0.860 0.885 0.867 0.667 CA 1.496 16 residues pruned to eliminate duplicates Z: 62 56.333 2.248 0.742 0.608 0.951 0.721 CB 1.748 62 residues pruned to eliminate duplicates Z: 12 22.977 2.124 0.828 0.764 0.909 0.545 CA 1.552 12 residues pruned to eliminate duplicates Z: 131 95.833 2.322 0.999 0.597 0.923 0.677 CB 1.788 76 residues pruned to eliminate duplicates Z: 20 22.659 2.099 0.835 0.449 0.895 0.684 CB 1.590 20 residues pruned to eliminate duplicates Z: 14 36.306 2.144 1.020 0.894 1.000 0.923 CA 1.668 14 residues pruned to eliminate duplicates Z: 52 30.769 2.067 0.827 0.506 0.824 0.412 CB 1.377 52 residues pruned to eliminate duplicates Z: 16 28.584 2.018 1.155 0.866 0.867 0.800 CB 1.433 16 residues pruned to eliminate duplicates Z: 17 19.743 2.143 0.299 0.738 0.938 0.688 CA 1.527 17 residues pruned to eliminate duplicates Z: 23 33.592 2.026 0.931 0.784 0.955 0.545 CB 1.494 23 residues pruned to eliminate duplicates Z: 14 14.716 1.899 1.023 0.476 0.846 0.615 CB 1.286 Z: 64 69.772 2.372 1.073 0.593 0.921 0.667 CB 1.777 64 residues pruned to eliminate duplicates Z: 14 29.384 2.097 1.139 0.800 0.923 0.769 CB 1.514 14 residues pruned to eliminate duplicates Z: 60 63.571 2.273 0.875 0.619 0.983 0.678 CB 1.765 60 residues pruned to eliminate duplicates Z: 16 24.240 2.243 0.465 0.840 0.933 0.733 CA 1.524 16 residues pruned to eliminate duplicates Z: 29 37.662 2.090 1.293 0.661 0.893 0.536 CB 1.433 33 residues pruned to eliminate duplicates Z: 15 27.137 2.148 0.482 0.932 1.000 0.929 CA 1.592 15 residues pruned to eliminate duplicates Z: 13 24.975 2.081 1.360 0.770 0.833 0.833 CA 1.387 13 residues pruned to eliminate duplicates Z: 14 21.740 2.080 1.201 0.661 0.923 0.769 CB 1.229 13 residues pruned to eliminate duplicates Z: 11 20.184 1.949 0.880 0.744 1.000 0.500 CB 1.401 11 residues pruned to eliminate duplicates Z: 33 42.449 2.283 1.151 0.620 0.906 0.750 CA 1.505 33 residues pruned to eliminate duplicates Z: 15 23.333 2.096 0.376 0.917 1.000 1.000 CA 1.525 15 residues pruned to eliminate duplicates Z: 40 60.275 2.335 0.942 0.714 1.000 0.692 CB 1.753 40 residues pruned to eliminate duplicates Z: 55 71.634 2.386 1.008 0.652 1.000 0.796 CA 1.766 55 residues pruned to eliminate duplicates Z: 24 27.333 2.031 0.744 0.837 0.870 0.652 CB 1.383 24 residues pruned to eliminate duplicates Z: 13 21.542 2.032 0.551 0.917 1.000 0.917 CB 1.392 Z: 66 59.230 2.300 0.983 0.557 0.908 0.692 CB 1.678 66 residues pruned to eliminate duplicates Z: 15 29.188 2.357 1.165 0.663 0.857 0.786 CB 1.534 15 residues pruned to eliminate duplicates Z: 39 39.502 2.138 1.075 0.618 0.895 0.658 CB 1.444 39 residues pruned to eliminate duplicates Z: 15 23.052 2.194 0.292 0.889 1.000 0.857 CA 1.564 15 residues pruned to eliminate duplicates Z: 11 17.102 1.871 0.763 0.827 0.900 0.700 CB 1.373 11 residues pruned to eliminate duplicates Z: 34 25.179 1.902 0.735 0.616 0.848 0.485 CB 1.403 29 residues pruned to eliminate duplicates Z: 14 41.218 2.289 1.203 0.947 1.000 0.692 CA 1.567 14 residues pruned to eliminate duplicates Z: 13 29.043 2.240 0.969 0.875 0.917 0.500 CB 1.508 13 residues pruned to eliminate duplicates Z: 64 67.650 2.368 1.007 0.597 0.952 0.730 CB 1.717 64 residues pruned to eliminate duplicates Z: 17 17.215 2.095 0.244 0.745 0.875 0.562 CA 1.516 17 residues pruned to eliminate duplicates Z: 16 28.146 2.094 0.673 0.938 0.933 0.800 CA 1.546 16 residues pruned to eliminate duplicates Z: 13 26.326 2.066 0.831 0.893 1.000 0.833 CB 1.442 13 residues pruned to eliminate duplicates Z: 16 23.236 2.108 0.556 0.811 1.000 0.667 CB 1.395 16 residues pruned to eliminate duplicates Z: 15 25.140 2.190 0.401 0.906 1.000 0.786 CB 1.557 15 residues pruned to eliminate duplicates Z: 80 79.264 2.347 1.043 0.634 0.949 0.658 CB 1.728 80 residues pruned to eliminate duplicates Z: 21 24.192 2.096 0.801 0.554 0.950 0.650 CB 1.432 21 residues pruned to eliminate duplicates Z: 15 31.476 2.238 0.977 0.904 0.929 0.714 CA 1.458 15 residues pruned to eliminate duplicates Z: 13 19.123 2.060 0.630 0.770 0.833 0.500 CA 1.553 13 residues pruned to eliminate duplicates Z: 129 91.757 2.318 0.969 0.601 0.953 0.703 CB 1.693 129 residues pruned to eliminate duplicates Z: 15 26.533 2.053 1.022 0.864 0.929 0.786 CB 1.349 15 residues pruned to eliminate duplicates Z: 14 26.525 2.195 0.487 0.907 1.000 0.846 CB 1.602 14 residues pruned to eliminate duplicates Z: 12 17.658 1.858 0.548 0.836 1.000 0.545 CA 1.386 12 residues pruned to eliminate duplicates Z: 27 47.009 2.255 1.217 0.715 0.962 0.692 CB 1.579 27 residues pruned to eliminate duplicates Z: 12 15.444 1.834 0.669 0.760 0.909 0.636 CB 1.329 12 residues pruned to eliminate duplicates Z: 37 49.509 2.288 1.082 0.713 0.889 0.528 CB 1.606 35 residues pruned to eliminate duplicates Z: 17 32.601 2.052 0.895 0.897 1.000 0.688 CB 1.500 17 residues pruned to eliminate duplicates Z: 16 28.569 2.108 0.767 0.918 0.933 0.667 CA 1.496 16 residues pruned to eliminate duplicates Z: 64 66.474 2.293 0.914 0.609 0.984 0.730 CB 1.748 62 residues pruned to eliminate duplicates Z: 10 20.988 1.965 1.452 0.779 0.889 0.889 CA 1.277 12 residues pruned to eliminate duplicates Z: 67 61.309 2.250 0.900 0.595 0.939 0.682 CB 1.716 67 residues pruned to eliminate duplicates Z: 12 19.551 2.191 0.491 0.785 0.818 0.636 CB 1.716 12 residues pruned to eliminate duplicates Z: 67 59.249 2.299 0.914 0.572 0.939 0.652 CB 1.646 67 residues pruned to eliminate duplicates Z: 10 15.692 2.084 0.675 0.714 0.778 0.444 CB 1.587 13 residues pruned to eliminate duplicates Z: 30 44.171 2.283 0.995 0.625 0.966 0.586 CB 1.658 30 residues pruned to eliminate duplicates Z: 13 14.283 1.854 0.541 0.806 0.917 0.667 CB 1.205 13 residues pruned to eliminate duplicates Z: 62 54.859 2.282 0.837 0.579 0.902 0.705 CB 1.723 62 residues pruned to eliminate duplicates Z: 15 34.665 2.131 0.969 0.930 1.000 0.571 CB 1.544 15 residues pruned to eliminate duplicates Z: 128 90.490 2.305 0.983 0.595 0.961 0.732 CB 1.669 117 residues pruned to eliminate duplicates Z: 8 10.417 1.779 0.536 0.726 1.000 0.429 CA 1.175 8 residues pruned to eliminate duplicates Z: 14 25.768 2.043 0.791 0.832 0.923 0.846 CB 1.589 14 residues pruned to eliminate duplicates Z: 65 55.857 2.251 0.836 0.602 0.953 0.766 CB 1.608 65 residues pruned to eliminate duplicates Z: 64 71.452 2.372 1.001 0.607 0.984 0.714 CB 1.740 64 residues pruned to eliminate duplicates Z: 61 67.172 2.358 0.988 0.603 0.950 0.750 CA 1.765 61 residues pruned to eliminate duplicates Z: 66 64.910 2.317 0.996 0.592 0.938 0.677 CA 1.699 66 residues pruned to eliminate duplicates Z: 14 29.599 2.423 0.613 0.736 0.923 0.462 CB 1.842 14 residues pruned to eliminate duplicates Z: 14 40.345 2.327 1.154 0.937 1.000 0.846 CA 1.554 14 residues pruned to eliminate duplicates Z: 13 26.613 2.225 1.143 0.891 0.917 0.667 CB 1.264 13 residues pruned to eliminate duplicates Z: 58 51.347 2.284 1.042 0.551 0.860 0.596 CB 1.615 58 residues pruned to eliminate duplicates Z: 15 32.790 2.107 1.039 0.904 1.000 0.786 CB 1.452 15 residues pruned to eliminate duplicates Z: 16 32.999 2.257 1.132 0.879 0.933 0.667 CA 1.376 16 residues pruned to eliminate duplicates Z: 16 23.792 2.253 0.534 0.769 0.933 0.600 CA 1.501 16 residues pruned to eliminate duplicates Z: 11 18.347 1.849 0.768 0.855 0.900 0.600 CB 1.455 11 residues pruned to eliminate duplicates Z: 14 32.136 2.048 1.068 0.887 1.000 0.615 CB 1.517 14 residues pruned to eliminate duplicates Z: 15 24.055 2.174 0.367 0.927 1.000 0.857 CB 1.516 15 residues pruned to eliminate duplicates Z: 60 70.166 2.344 1.047 0.618 0.966 0.763 CB 1.763 60 residues pruned to eliminate duplicates Z: 12 25.949 2.130 0.856 0.896 1.000 1.000 CB 1.418 12 residues pruned to eliminate duplicates Z: 10 16.701 2.126 0.441 0.881 0.778 0.556 CA 1.692 10 residues pruned to eliminate duplicates Z: 16 27.478 2.287 0.876 0.818 0.800 0.533 CA 1.568 16 residues pruned to eliminate duplicates Z: 9 16.054 2.000 0.596 0.751 1.000 0.500 CB 1.422 9 residues pruned to eliminate duplicates Z: 99 69.567 2.194 0.973 0.636 0.918 0.673 CB 1.556 99 residues pruned to eliminate duplicates Z: 15 20.962 2.125 0.416 0.811 1.000 0.714 CB 1.420 15 residues pruned to eliminate duplicates Z: 13 11.986 1.736 0.591 0.802 0.833 0.500 CB 1.155 13 residues pruned to eliminate duplicates Z: 63 58.628 2.242 0.887 0.616 0.984 0.790 CB 1.602 63 residues pruned to eliminate duplicates Z: 65 64.809 2.331 0.884 0.593 0.984 0.688 CB 1.715 65 residues pruned to eliminate duplicates Z: 38 48.171 2.170 1.097 0.724 0.892 0.676 CB 1.595 37 residues pruned to eliminate duplicates Z: 37 31.207 2.063 0.945 0.474 0.917 0.556 CB 1.452 70 residues pruned to eliminate duplicates Z: 13 31.958 2.200 0.939 0.902 1.000 0.833 CB 1.543 13 residues pruned to eliminate duplicates Z: 15 31.270 2.080 1.062 0.940 1.000 0.786 CB 1.353 15 residues pruned to eliminate duplicates Z: 15 30.836 2.112 0.915 0.887 1.000 0.714 CB 1.470 15 residues pruned to eliminate duplicates Z: 16 16.565 1.870 0.881 0.620 0.800 0.667 CB 1.357 Z: 15 24.645 2.262 0.488 0.911 0.929 0.786 CA 1.494 15 residues pruned to eliminate duplicates Z: 64 54.338 2.250 0.763 0.567 0.921 0.635 CB 1.758 64 residues pruned to eliminate duplicates Z: 13 25.030 2.075 0.989 0.846 0.917 0.917 CB 1.419 13 residues pruned to eliminate duplicates Z: 14 28.617 1.940 1.132 0.930 1.000 0.923 CB 1.342 14 residues pruned to eliminate duplicates Z: 64 65.310 2.347 0.947 0.580 0.968 0.730 CB 1.721 64 residues pruned to eliminate duplicates Z: 10 18.071 1.910 1.034 0.749 0.889 0.556 CA 1.396 10 residues pruned to eliminate duplicates Z: 15 37.049 2.146 0.971 0.937 1.000 0.643 CA 1.629 15 residues pruned to eliminate duplicates Z: 14 36.352 2.162 1.076 0.901 1.000 0.615 CB 1.603 14 residues pruned to eliminate duplicates Z: 15 32.936 2.092 1.003 0.926 1.000 0.857 CB 1.473 15 residues pruned to eliminate duplicates Z: 15 27.095 1.902 1.038 0.900 1.000 0.929 CB 1.335 Z: 15 19.003 2.043 1.157 0.369 0.857 0.500 CA 1.548 15 residues pruned to eliminate duplicates Z: 16 35.795 2.210 1.100 0.892 1.000 0.867 CA 1.431 16 residues pruned to eliminate duplicates Z: 12 15.132 1.852 0.817 0.801 0.818 0.545 CB 1.274 12 residues pruned to eliminate duplicates Z: 17 32.866 2.182 0.844 0.761 1.000 0.625 CA 1.619 17 residues pruned to eliminate duplicates Z: 54 61.685 2.272 1.109 0.632 0.962 0.717 CA 1.624 54 residues pruned to eliminate duplicates Z: 14 31.502 2.145 0.784 0.821 1.000 0.538 CB 1.729 14 residues pruned to eliminate duplicates Z: 10 19.682 2.013 1.300 0.712 0.778 0.778 CB 1.503 13 residues pruned to eliminate duplicates Z: 41 54.413 2.321 0.822 0.715 0.975 0.775 CB 1.718 41 residues pruned to eliminate duplicates Z: 15 28.910 2.068 0.957 0.891 0.929 0.571 CB 1.479 15 residues pruned to eliminate duplicates Z: 10 16.229 1.971 0.872 0.767 0.889 0.889 CB 1.302 10 residues pruned to eliminate duplicates Z: 15 33.876 2.165 0.841 0.913 1.000 0.786 CA 1.607 15 residues pruned to eliminate duplicates Z: 56 56.745 2.246 0.849 0.670 0.982 0.836 CB 1.603 56 residues pruned to eliminate duplicates Z: 13 18.390 1.944 0.390 0.866 1.000 0.833 CA 1.438 13 residues pruned to eliminate duplicates Z: 12 17.805 2.140 0.174 0.834 1.000 0.636 CA 1.601 12 residues pruned to eliminate duplicates Z: 15 28.758 2.076 0.795 0.919 1.000 0.714 CB 1.454 15 residues pruned to eliminate duplicates Z: 58 54.812 2.205 0.873 0.645 1.000 0.772 CB 1.535 58 residues pruned to eliminate duplicates Z: 15 31.730 2.134 0.953 0.951 1.000 0.857 CB 1.402 15 residues pruned to eliminate duplicates Z: 10 14.134 2.037 0.465 0.752 0.778 0.556 CB 1.621 10 residues pruned to eliminate duplicates Z: 14 23.872 1.946 0.968 0.883 1.000 0.538 CB 1.249 14 residues pruned to eliminate duplicates Z: 49 56.924 2.292 0.968 0.634 0.938 0.750 CB 1.713 49 residues pruned to eliminate duplicates Z: 16 28.270 2.214 0.675 0.743 1.000 0.533 CA 1.583 16 residues pruned to eliminate duplicates Z: 61 55.206 2.197 0.860 0.653 0.983 0.817 CB 1.538 61 residues pruned to eliminate duplicates Z: 13 29.324 2.084 1.025 0.901 1.000 0.583 CB 1.432 14 residues pruned to eliminate duplicates Z: 7 9.876 1.789 0.533 0.758 0.833 0.833 CA 1.402 7 residues pruned to eliminate duplicates Z: 31 44.376 2.292 1.107 0.682 0.867 0.633 CB 1.637 31 residues pruned to eliminate duplicates Z: 15 27.722 2.083 0.774 0.924 1.000 0.929 CB 1.408 15 residues pruned to eliminate duplicates Z: 8 13.874 2.101 0.449 0.827 0.857 0.714 CB 1.513 Z: 22 25.328 2.093 0.668 0.449 0.952 0.714 CB 1.751 22 residues pruned to eliminate duplicates Z: 45 62.390 2.351 1.011 0.663 0.977 0.705 CA 1.751 45 residues pruned to eliminate duplicates Z: 64 57.376 2.202 0.879 0.595 0.968 0.746 CB 1.647 72 residues pruned to eliminate duplicates Z: 15 27.424 2.199 0.534 0.937 1.000 0.857 CB 1.512 15 residues pruned to eliminate duplicates Z: 19 25.364 2.074 0.927 0.692 0.889 0.667 CB 1.412 19 residues pruned to eliminate duplicates Z: 14 22.230 2.112 0.440 0.943 1.000 1.000 CB 1.405 14 residues pruned to eliminate duplicates Z: 17 16.651 1.957 0.473 0.769 0.875 0.438 CA 1.300 17 residues pruned to eliminate duplicates Z: 60 58.630 2.222 0.934 0.652 1.000 0.814 CB 1.541 60 residues pruned to eliminate duplicates Z: 15 27.156 1.893 0.897 0.913 1.000 0.857 CB 1.430 15 residues pruned to eliminate duplicates Z: 39 33.021 1.944 0.891 0.670 0.895 0.632 CB 1.392 31 residues pruned to eliminate duplicates Z: 59 66.767 2.283 0.960 0.619 0.983 0.741 CB 1.781 59 residues pruned to eliminate duplicates Z: 15 29.065 2.102 0.775 0.926 1.000 1.000 CB 1.460 15 residues pruned to eliminate duplicates Z: 14 17.533 1.861 1.204 0.609 0.923 0.769 CB 1.157 12 residues pruned to eliminate duplicates Z: 121 90.711 2.314 0.919 0.619 0.958 0.733 CB 1.738 121 residues pruned to eliminate duplicates Z: 14 27.146 2.226 0.984 0.642 0.923 0.846 CB 1.618 14 residues pruned to eliminate duplicates Z: 15 32.610 2.089 1.001 0.895 1.000 0.929 CB 1.495 15 residues pruned to eliminate duplicates Z: 22 25.220 2.136 1.073 0.457 0.810 0.714 CB 1.603 22 residues pruned to eliminate duplicates Z: 32 48.313 2.258 1.278 0.641 0.903 0.548 CB 1.636 32 residues pruned to eliminate duplicates Z: 15 18.809 2.118 0.331 0.760 0.929 0.571 CB 1.524 15 residues pruned to eliminate duplicates Z: 6 2.920 1.520 1.402 0.353 0.400 0.400 CA 1.049 Z: 70 77.135 2.337 1.042 0.617 0.971 0.725 CB 1.794 110 residues pruned to eliminate duplicates Z: 13 23.071 2.104 1.164 0.630 0.917 0.750 CB 1.412 13 residues pruned to eliminate duplicates Z: 15 34.877 2.179 0.836 0.923 1.000 1.000 CA 1.638 15 residues pruned to eliminate duplicates Z: 11 12.147 1.944 0.614 0.761 0.900 0.500 CB 1.078 11 residues pruned to eliminate duplicates Z: 57 61.573 2.252 0.892 0.645 1.000 0.696 CB 1.687 57 residues pruned to eliminate duplicates Z: 32 45.719 2.262 1.105 0.619 0.935 0.774 CB 1.647 32 residues pruned to eliminate duplicates Z: 17 21.997 2.003 0.349 0.870 1.000 0.625 CA 1.486 17 residues pruned to eliminate duplicates Z: 14 25.445 1.969 0.958 0.895 1.000 0.769 CB 1.313 14 residues pruned to eliminate duplicates Z: 14 20.534 1.998 0.983 0.617 0.846 0.692 CB 1.522 14 residues pruned to eliminate duplicates Z: 13 25.068 2.164 0.566 0.837 1.000 0.667 CA 1.596 13 residues pruned to eliminate duplicates Z: 64 58.074 2.232 0.847 0.628 0.952 0.778 CB 1.653 64 residues pruned to eliminate duplicates Z: 15 31.704 2.090 0.906 0.883 1.000 0.857 CB 1.538 Z: 13 23.464 2.006 1.224 0.694 0.833 0.750 CB 1.526 13 residues pruned to eliminate duplicates Z: 63 67.197 2.365 0.937 0.602 0.968 0.726 CA 1.748 63 residues pruned to eliminate duplicates Z: 57 59.940 2.248 0.886 0.649 0.982 0.732 CB 1.675 57 residues pruned to eliminate duplicates Z: 13 23.945 2.145 0.880 0.841 0.833 0.750 CB 1.534 13 residues pruned to eliminate duplicates Z: 9 5.315 1.709 0.641 0.288 0.750 0.375 CA 1.134 Z: 11 13.936 1.946 0.663 0.780 0.800 0.700 CB 1.330 11 residues pruned to eliminate duplicates Z: 14 30.576 2.118 1.071 0.894 0.923 0.769 CB 1.502 14 residues pruned to eliminate duplicates Z: 97 66.513 2.211 0.904 0.623 0.917 0.688 CB 1.566 97 residues pruned to eliminate duplicates Z: 48 57.210 2.381 0.925 0.631 0.957 0.702 CA 1.680 48 residues pruned to eliminate duplicates Z: 66 60.758 2.247 0.858 0.591 0.985 0.692 CB 1.680 66 residues pruned to eliminate duplicates Z: 14 10.003 1.858 0.626 0.290 0.923 0.615 CB 1.260 14 residues pruned to eliminate duplicates Z: 11 19.109 2.126 0.439 0.890 0.900 0.700 CB 1.578 11 residues pruned to eliminate duplicates Z: 49 49.493 2.238 0.792 0.634 0.938 0.771 CB 1.675 49 residues pruned to eliminate duplicates Z: 54 61.908 2.269 0.977 0.686 1.000 0.830 CB 1.598 54 residues pruned to eliminate duplicates Z: 6 4.015 1.603 0.135 0.351 1.000 0.600 CB 1.160 Z: 13 27.239 2.185 0.730 0.874 0.917 0.583 CB 1.651 13 residues pruned to eliminate duplicates Z: 14 30.395 2.147 1.085 0.850 1.000 0.538 CB 1.395 14 residues pruned to eliminate duplicates Z: 15 31.511 2.021 1.065 0.907 1.000 0.929 CA 1.435 15 residues pruned to eliminate duplicates Z: 41 28.901 1.979 0.985 0.468 0.825 0.500 CB 1.457 41 residues pruned to eliminate duplicates Z: 12 9.376 1.663 0.747 0.396 0.909 0.727 C 1.194 18 residues pruned to eliminate duplicates Z: 24 31.731 1.945 0.728 0.887 0.957 0.826 CB 1.483 24 residues pruned to eliminate duplicates Z: 30 42.275 2.161 1.147 0.675 0.966 0.621 CB 1.491 30 residues pruned to eliminate duplicates Z: 12 18.297 1.878 0.591 0.797 1.000 0.636 CB 1.424 12 residues pruned to eliminate duplicates Z: 9 5.122 1.890 0.558 0.252 0.625 0.500 CA 1.309 9 residues pruned to eliminate duplicates Z: 14 29.990 2.082 0.900 0.867 1.000 0.692 CB 1.537 14 residues pruned to eliminate duplicates Z: 12 19.831 1.914 0.941 0.827 0.909 0.364 CB 1.334 10 residues pruned to eliminate duplicates Z: 17 24.279 2.085 0.607 0.892 0.938 0.812 CA 1.388 17 residues pruned to eliminate duplicates Z: 8 7.414 1.934 0.821 0.295 0.714 0.429 C 1.402 8 residues pruned to eliminate duplicates Z: 14 25.370 2.085 0.693 0.930 1.000 0.846 CB 1.394 14 residues pruned to eliminate duplicates Z: 12 20.898 2.213 0.646 0.874 0.818 0.727 CA 1.538 12 residues pruned to eliminate duplicates Z: 8 7.543 1.891 -0.136 0.655 1.000 0.429 C 1.511 Z: 44 48.191 2.198 0.868 0.634 0.930 0.628 CB 1.696 44 residues pruned to eliminate duplicates Z: 64 61.710 2.284 0.896 0.618 0.968 0.714 CB 1.659 64 residues pruned to eliminate duplicates Z: 16 25.607 1.906 0.981 0.849 0.933 0.667 CB 1.390 16 residues pruned to eliminate duplicates Z: 43 52.799 2.231 0.971 0.694 1.000 0.786 CB 1.552 43 residues pruned to eliminate duplicates Z: 16 21.342 2.000 0.662 0.751 0.933 0.533 CB 1.419 16 residues pruned to eliminate duplicates Z: 7 17.249 2.258 0.395 0.871 1.000 1.000 CA 1.630 7 residues pruned to eliminate duplicates Z: 13 32.078 2.159 1.157 0.897 1.000 0.917 CB 1.423 13 residues pruned to eliminate duplicates Z: 16 18.708 2.049 0.448 0.754 0.867 0.600 CB 1.498 16 residues pruned to eliminate duplicates Z: 39 37.923 2.137 0.915 0.668 0.868 0.658 CB 1.482 39 residues pruned to eliminate duplicates Z: 9 13.577 2.247 0.266 0.763 0.875 0.500 CB 1.527 9 residues pruned to eliminate duplicates Z: 16 20.581 2.028 0.499 0.759 0.933 0.667 CB 1.488 16 residues pruned to eliminate duplicates Z: 17 29.768 2.153 0.881 0.865 1.000 0.875 CA 1.346 17 residues pruned to eliminate duplicates Z: 66 67.055 2.321 0.985 0.595 0.985 0.754 CB 1.674 66 residues pruned to eliminate duplicates Z: 18 23.201 2.126 0.764 0.496 0.882 0.588 CB 1.707 18 residues pruned to eliminate duplicates Z: 65 69.388 2.326 1.072 0.601 0.938 0.656 CA 1.743 65 residues pruned to eliminate duplicates Z: 38 45.112 2.161 1.049 0.673 0.892 0.568 CB 1.601 38 residues pruned to eliminate duplicates Z: 46 36.016 2.056 1.030 0.545 0.844 0.444 CB 1.458 46 residues pruned to eliminate duplicates Z: 23 35.329 2.033 1.038 0.821 0.909 0.591 CB 1.513 23 residues pruned to eliminate duplicates Z: 15 24.582 2.148 0.642 0.778 1.000 0.714 CB 1.458 15 residues pruned to eliminate duplicates Z: 14 21.010 2.027 0.453 0.951 1.000 0.923 CB 1.363 14 residues pruned to eliminate duplicates Z: 14 31.937 2.107 1.066 0.913 1.000 0.923 CB 1.440 14 residues pruned to eliminate duplicates Z: 121 83.300 2.258 0.929 0.614 0.933 0.708 CB 1.679 121 residues pruned to eliminate duplicates Z: 22 14.266 1.951 0.418 0.401 0.952 0.619 CB 1.312 22 residues pruned to eliminate duplicates Z: 14 34.329 2.086 1.079 0.907 1.000 0.846 CA 1.561 14 residues pruned to eliminate duplicates Z: 15 23.353 2.175 0.548 0.788 1.000 0.643 CB 1.439 15 residues pruned to eliminate duplicates Z: 15 34.791 2.300 0.980 0.747 1.000 0.500 CA 1.638 15 residues pruned to eliminate duplicates Z: 6 7.718 1.931 -0.089 0.866 1.000 0.800 CB 1.437 6 residues pruned to eliminate duplicates Z: 48 50.338 2.251 0.740 0.641 0.979 0.723 CB 1.678 48 residues pruned to eliminate duplicates Z: 39 47.121 2.148 1.035 0.673 0.921 0.737 CB 1.619 39 residues pruned to eliminate duplicates Z: 14 25.061 2.042 0.892 0.887 0.923 0.846 CA 1.405 Z: 14 17.936 2.051 0.152 0.897 1.000 0.846 CB 1.507 14 residues pruned to eliminate duplicates Z: 13 27.947 2.100 0.784 0.918 1.000 0.833 CB 1.518 13 residues pruned to eliminate duplicates Z: 23 13.720 1.953 0.770 0.309 0.727 0.409 CB 1.438 23 residues pruned to eliminate duplicates Z: 9 32.775 2.156 1.505 0.847 1.000 1.000 CB 1.592 Z: 27 39.249 2.249 1.075 0.706 0.846 0.462 CB 1.616 27 residues pruned to eliminate duplicates Z: 16 27.707 2.090 0.676 0.910 1.000 0.600 CB 1.448 16 residues pruned to eliminate duplicates Z: 12 16.487 1.869 0.707 0.800 0.909 0.727 CB 1.319 12 residues pruned to eliminate duplicates Z: 27 27.248 2.148 0.780 0.586 0.885 0.500 CB 1.454 27 residues pruned to eliminate duplicates Z: 14 27.042 2.126 0.745 0.846 1.000 0.692 CB 1.502 14 residues pruned to eliminate duplicates Z: 50 59.636 2.329 0.927 0.638 0.980 0.755 CB 1.703 50 residues pruned to eliminate duplicates Z: 9 9.655 1.916 0.381 0.869 0.750 0.625 CA 1.257 Z: 15 23.414 2.182 0.541 0.780 0.929 0.714 CB 1.567 15 residues pruned to eliminate duplicates Z: 29 30.434 2.101 0.829 0.615 0.893 0.393 CB 1.504 29 residues pruned to eliminate duplicates Z: 14 16.479 2.125 0.305 0.776 0.846 0.692 CB 1.526 23 residues pruned to eliminate duplicates Z: 16 24.057 1.883 0.866 0.857 1.000 0.467 CB 1.303 16 residues pruned to eliminate duplicates Z: 62 55.278 2.236 0.882 0.619 0.967 0.803 CB 1.554 62 residues pruned to eliminate duplicates Z: 13 27.174 2.162 1.001 0.864 0.917 0.667 CB 1.450 13 residues pruned to eliminate duplicates Z: 14 22.719 2.020 1.008 0.685 0.846 0.769 CB 1.549 14 residues pruned to eliminate duplicates Z: 49 52.753 2.252 0.812 0.630 0.938 0.688 CB 1.762 49 residues pruned to eliminate duplicates Z: 15 23.509 2.187 0.403 0.922 0.929 0.714 CB 1.551 14 residues pruned to eliminate duplicates Z: 6 4.930 1.756 -0.222 0.793 1.000 0.800 CB 1.248 4 residues pruned to eliminate duplicates Z: 8 6.073 1.422 0.713 0.804 0.857 0.714 N 0.843 Z: 40 44.681 2.191 0.799 0.728 0.949 0.744 CB 1.558 40 residues pruned to eliminate duplicates Z: 54 33.630 2.083 0.680 0.529 0.925 0.642 CB 1.388 54 residues pruned to eliminate duplicates Z: 14 23.262 2.177 0.500 0.754 1.000 0.615 CB 1.576 14 residues pruned to eliminate duplicates Z: 14 25.726 1.970 0.862 0.905 1.000 0.615 CB 1.385 14 residues pruned to eliminate duplicates Z: 8 11.188 1.878 0.554 0.774 0.857 0.857 CA 1.326 8 residues pruned to eliminate duplicates Z: 67 61.701 2.290 0.908 0.579 0.939 0.712 CB 1.716 67 residues pruned to eliminate duplicates Z: 12 9.539 1.734 0.442 0.835 0.818 0.727 CB 1.053 Z: 66 51.565 2.240 0.660 0.585 0.985 0.677 CB 1.611 66 residues pruned to eliminate duplicates Z: 16 19.752 2.063 0.363 0.783 0.933 0.667 CA 1.516 16 residues pruned to eliminate duplicates Z: 34 26.206 2.054 0.663 0.570 0.879 0.424 CB 1.421 34 residues pruned to eliminate duplicates Z: 63 61.091 2.255 0.867 0.594 0.984 0.661 CB 1.713 63 residues pruned to eliminate duplicates Z: 10 26.772 2.085 1.046 0.856 1.000 0.556 CA 1.543 Z: 14 39.722 2.139 1.163 0.916 1.000 1.000 CA 1.681 14 residues pruned to eliminate duplicates Z: 12 18.321 1.802 0.740 0.805 1.000 0.455 CA 1.351 12 residues pruned to eliminate duplicates Z: 28 39.365 2.150 1.025 0.752 1.000 0.704 CB 1.390 28 residues pruned to eliminate duplicates Z: 30 32.767 2.251 1.074 0.536 0.862 0.655 CB 1.460 30 residues pruned to eliminate duplicates Z: 11 13.186 1.685 0.827 0.817 1.000 0.600 CB 1.028 11 residues pruned to eliminate duplicates Z: 12 14.431 2.077 0.601 0.542 0.909 0.727 CB 1.382 12 residues pruned to eliminate duplicates Z: 19 24.278 2.105 1.345 0.499 0.889 0.667 CB 1.305 38 residues pruned to eliminate duplicates Z: 6 7.278 1.933 0.701 0.417 0.800 0.800 CA 1.348 Z: 43 39.357 2.161 0.695 0.654 0.905 0.714 CB 1.587 43 residues pruned to eliminate duplicates Z: 9 13.131 2.038 0.260 0.820 0.875 0.375 CA 1.565 9 residues pruned to eliminate duplicates Z: 64 74.657 2.360 1.148 0.595 0.968 0.667 CB 1.750 64 residues pruned to eliminate duplicates Z: 6 3.247 1.655 0.587 0.299 0.800 0.600 CB 0.865 Z: 6 5.143 1.686 -0.119 0.785 1.000 1.000 CB 1.205 Z: 13 19.510 2.033 1.168 0.641 0.833 0.667 CB 1.344 13 residues pruned to eliminate duplicates Z: 14 27.258 1.940 1.024 0.873 1.000 0.692 CB 1.402 14 residues pruned to eliminate duplicates Z: 28 33.709 2.072 1.052 0.666 0.852 0.444 CB 1.536 26 residues pruned to eliminate duplicates Z: 16 28.950 1.969 0.904 0.922 1.000 0.600 CB 1.402 16 residues pruned to eliminate duplicates Z: 8 10.069 1.892 1.234 0.540 0.857 0.571 CB 1.009 Z: 20 24.790 2.161 0.668 0.461 0.947 0.526 CA 1.733 20 residues pruned to eliminate duplicates Z: 59 66.117 2.327 1.001 0.628 0.966 0.672 CB 1.712 59 residues pruned to eliminate duplicates Z: 16 15.474 1.909 0.977 0.474 0.800 0.533 CA 1.359 16 residues pruned to eliminate duplicates Z: 13 20.919 2.053 0.663 0.866 0.917 0.500 CB 1.413 13 residues pruned to eliminate duplicates Z: 6 8.471 1.841 1.264 0.862 1.000 1.000 CB 0.667 Z: 17 19.711 1.982 0.648 0.830 0.875 0.625 CB 1.297 17 residues pruned to eliminate duplicates Z: 14 31.701 2.106 1.044 0.944 1.000 0.692 CB 1.415 14 residues pruned to eliminate duplicates Z: 14 9.132 1.870 0.651 0.196 0.846 0.308 CB 1.391 9 residues pruned to eliminate duplicates Z: 69 66.617 2.285 1.055 0.577 0.941 0.632 CB 1.697 69 residues pruned to eliminate duplicates Z: 64 54.958 2.250 0.702 0.596 0.968 0.714 CB 1.703 64 residues pruned to eliminate duplicates Z: 11 5.918 1.510 0.251 0.543 0.900 0.700 CB 1.056 Z: 15 16.924 2.047 0.267 0.831 1.000 0.714 CB 1.310 15 residues pruned to eliminate duplicates Z: 10 25.893 2.120 1.386 0.729 1.000 0.889 CA 1.389 10 residues pruned to eliminate duplicates Z: 14 16.174 1.888 0.347 0.866 1.000 0.692 CA 1.291 14 residues pruned to eliminate duplicates Z: 16 20.767 2.072 0.732 0.692 0.933 0.533 CB 1.343 16 residues pruned to eliminate duplicates Z: 13 20.794 1.997 0.901 0.863 0.917 0.750 CB 1.266 13 residues pruned to eliminate duplicates Z: 15 27.612 1.869 1.003 0.891 1.000 0.571 C 1.418 15 residues pruned to eliminate duplicates Z: 15 31.924 2.089 0.915 0.925 1.000 0.857 CB 1.497 15 residues pruned to eliminate duplicates Z: 62 52.117 2.213 0.826 0.595 0.902 0.607 CB 1.673 63 residues pruned to eliminate duplicates Z: 13 17.529 1.966 0.889 0.570 0.917 0.667 CB 1.389 12 residues pruned to eliminate duplicates Z: 50 31.947 2.019 0.883 0.492 0.878 0.408 CB 1.379 50 residues pruned to eliminate duplicates Z: 7 3.625 1.634 -0.005 0.488 0.833 0.667 C 1.105 Z: 8 4.016 1.846 -0.235 0.712 0.857 0.714 CB 1.035 Z: 32 41.130 2.192 1.078 0.634 0.903 0.645 CB 1.583 32 residues pruned to eliminate duplicates Z: 21 16.718 1.898 0.830 0.490 0.850 0.650 CB 1.280 21 residues pruned to eliminate duplicates Z: 15 30.648 2.171 0.748 0.931 0.929 0.714 CA 1.624 15 residues pruned to eliminate duplicates Z: 23 22.378 1.828 0.743 0.838 0.955 0.364 CB 1.172 23 residues pruned to eliminate duplicates Z: 63 68.518 2.321 1.016 0.602 0.968 0.694 CB 1.743 63 residues pruned to eliminate duplicates Z: 24 34.075 1.938 0.784 0.856 0.957 0.696 CB 1.584 24 residues pruned to eliminate duplicates Z: 15 30.395 2.186 0.739 0.907 1.000 0.857 CB 1.518 23 residues pruned to eliminate duplicates Z: 9 8.180 1.762 0.151 0.588 0.875 0.625 CB 1.498 6 residues pruned to eliminate duplicates Z: 66 67.253 2.324 1.066 0.582 0.954 0.677 CA 1.683 66 residues pruned to eliminate duplicates Z: 16 13.952 1.963 0.427 0.752 0.733 0.467 CA 1.400 16 residues pruned to eliminate duplicates Z: 19 24.038 2.024 0.776 0.558 0.889 0.778 CA 1.677 19 residues pruned to eliminate duplicates Z: 34 46.390 2.289 0.922 0.581 0.970 0.697 CA 1.751 34 residues pruned to eliminate duplicates Z: 11 9.657 1.632 0.609 0.855 0.900 0.800 CB 0.953 11 residues pruned to eliminate duplicates Z: 77 72.091 2.313 1.002 0.592 0.947 0.684 CB 1.727 77 residues pruned to eliminate duplicates Z: 14 21.292 2.185 0.476 0.757 0.923 0.692 CB 1.579 14 residues pruned to eliminate duplicates Z: 60 63.019 2.276 0.872 0.630 0.966 0.712 CB 1.764 60 residues pruned to eliminate duplicates Z: 23 35.109 2.061 0.946 0.779 0.955 0.455 CB 1.529 23 residues pruned to eliminate duplicates Z: 7 6.696 1.708 0.381 0.697 0.833 0.333 CB 1.162 7 residues pruned to eliminate duplicates Z: 6 7.096 1.979 0.493 0.602 0.800 0.600 CB 1.218 6 residues pruned to eliminate duplicates Z: 10 12.572 1.714 1.009 0.848 0.778 0.556 CB 1.161 10 residues pruned to eliminate duplicates Z: 15 33.039 2.137 0.820 0.952 1.000 1.000 CA 1.563 15 residues pruned to eliminate duplicates Z: 17 23.633 2.133 0.515 0.863 1.000 0.812 CA 1.341 17 residues pruned to eliminate duplicates Z: 8 5.905 1.643 0.160 0.680 1.000 0.857 CB 0.992 8 residues pruned to eliminate duplicates Z: 11 18.572 1.849 0.837 0.863 1.000 0.900 CB 1.269 11 residues pruned to eliminate duplicates Z: 10 5.492 1.971 -0.233 0.536 0.889 0.778 CB 1.315 10 residues pruned to eliminate duplicates Z: 8 4.645 1.389 0.514 0.519 0.857 0.286 CB 0.955 Z: 15 11.477 1.819 0.888 0.497 0.714 0.286 CB 1.254 Z: 15 16.231 2.050 0.503 0.805 0.857 0.714 CB 1.258 15 residues pruned to eliminate duplicates Z: 62 56.456 2.235 0.851 0.623 0.967 0.787 CB 1.609 62 residues pruned to eliminate duplicates Z: 15 32.078 2.122 0.837 0.939 1.000 0.786 CA 1.528 15 residues pruned to eliminate duplicates Z: 8 5.925 1.661 -0.175 0.686 1.000 0.714 N 1.378 8 residues pruned to eliminate duplicates Z: 15 20.752 2.125 0.591 0.784 0.929 0.571 CB 1.376 15 residues pruned to eliminate duplicates Z: 102 84.109 2.296 1.049 0.620 0.931 0.574 CB 1.706 102 residues pruned to eliminate duplicates Z: 9 7.647 1.828 0.805 0.589 0.500 0.250 CB 1.504 9 residues pruned to eliminate duplicates Z: 12 5.977 1.611 0.840 0.593 0.727 0.636 CB 0.765 6 1.857 1.645 0.509 0.296 0.600 0.400 N 0.701 ? Z: 10 15.930 1.826 0.757 0.897 1.000 0.667 CA 1.185 10 residues pruned to eliminate duplicates Z: 6 4.094 1.781 0.801 0.295 0.600 0.400 CB 1.197 6 residues pruned to eliminate duplicates Z: 61 55.620 2.245 0.775 0.601 0.983 0.700 CB 1.664 61 residues pruned to eliminate duplicates Z: 9 3.944 1.701 0.118 0.362 0.875 0.500 CB 0.972 9 residues pruned to eliminate duplicates Z: 65 67.000 2.334 1.009 0.589 0.938 0.703 CB 1.750 65 residues pruned to eliminate duplicates Z: 64 61.311 2.285 0.895 0.620 0.937 0.714 CB 1.701 64 residues pruned to eliminate duplicates Z: 16 26.195 2.268 0.859 0.522 0.867 0.733 CB 1.811 16 residues pruned to eliminate duplicates Z: 9 6.664 1.925 -0.212 0.660 1.000 0.500 CB 1.340 10 residues pruned to eliminate duplicates Z: 15 37.984 2.212 0.836 0.948 1.000 0.857 CA 1.727 15 residues pruned to eliminate duplicates Z: 7 3.705 1.534 0.171 0.331 1.000 0.333 CB 1.013 Z: 13 22.771 2.007 0.751 0.873 1.000 0.500 CB 1.362 13 residues pruned to eliminate duplicates Z: 9 5.976 1.874 -0.255 0.638 0.875 0.500 O 1.520 6 residues pruned to eliminate duplicates Z: 8 5.521 1.738 -0.055 0.619 1.000 0.857 C 1.136 7 residues pruned to eliminate duplicates Z: 35 47.691 2.179 0.983 0.754 0.941 0.559 CB 1.604 35 residues pruned to eliminate duplicates 6 1.899 1.643 -0.333 0.618 0.800 0.600 CB 0.866 ? Z: 8 5.838 1.786 -0.299 0.626 1.000 0.857 CB 1.566 Z: 6 3.727 1.490 0.632 0.299 0.800 0.600 CB 1.073 6 residues pruned to eliminate duplicates Z: 32 44.245 2.225 1.039 0.660 0.935 0.839 CB 1.615 32 residues pruned to eliminate duplicates Z: 21 23.710 2.164 0.992 0.502 0.850 0.700 CB 1.444 21 residues pruned to eliminate duplicates Z: 12 12.749 1.837 0.442 0.810 0.909 0.545 CB 1.219 12 residues pruned to eliminate duplicates Z: 60 64.744 2.283 0.942 0.629 0.949 0.712 CB 1.774 61 residues pruned to eliminate duplicates Z: 20 36.123 2.262 1.274 0.584 0.895 0.789 CA 1.661 20 residues pruned to eliminate duplicates Z: 65 61.147 2.229 1.058 0.585 0.953 0.641 CA 1.612 65 residues pruned to eliminate duplicates Z: 14 26.180 2.233 0.897 0.718 0.923 0.846 CA 1.524 14 residues pruned to eliminate duplicates Z: 31 26.110 2.118 0.650 0.610 0.833 0.533 CB 1.474 31 residues pruned to eliminate duplicates Z: 17 28.472 2.262 0.749 0.545 1.000 0.688 CB 1.721 17 residues pruned to eliminate duplicates Z: 11 20.647 2.010 0.880 0.672 1.000 0.800 CB 1.474 11 residues pruned to eliminate duplicates Z: 7 14.629 1.996 1.223 0.571 0.833 0.667 C 1.507 7 residues pruned to eliminate duplicates Z: 7 9.301 1.687 0.782 0.809 0.833 0.833 CB 1.158 Z: 66 61.007 2.280 0.879 0.601 0.969 0.692 CB 1.656 66 residues pruned to eliminate duplicates Z: 12 19.607 1.862 1.092 0.629 0.909 0.727 CA 1.479 12 residues pruned to eliminate duplicates Z: 8 5.781 1.920 0.723 0.326 0.571 0.571 CB 1.400 8 residues pruned to eliminate duplicates Z: 30 31.919 2.232 0.840 0.465 0.931 0.586 CB 1.606 30 residues pruned to eliminate duplicates Z: 65 62.999 2.249 0.919 0.607 0.953 0.766 CA 1.730 65 residues pruned to eliminate duplicates Z: 8 5.986 1.618 0.826 0.722 1.000 0.714 N 0.627 Z: 10 6.977 1.643 0.907 0.249 0.778 0.444 CB 1.273 Z: 7 9.206 1.785 0.763 0.590 0.833 0.667 CB 1.315 7 residues pruned to eliminate duplicates Z: 67 61.200 2.276 0.986 0.562 0.924 0.591 CB 1.698 73 residues pruned to eliminate duplicates Z: 43 55.553 2.399 1.076 0.608 0.929 0.595 CA 1.673 43 residues pruned to eliminate duplicates Z: 45 28.153 1.986 1.037 0.458 0.795 0.500 CB 1.376 45 residues pruned to eliminate duplicates Z: 13 28.213 2.107 1.187 0.869 0.833 0.750 CB 1.550 13 residues pruned to eliminate duplicates Z: 15 33.489 2.123 0.868 0.930 1.000 0.714 CA 1.578 15 residues pruned to eliminate duplicates Z: 13 6.805 1.644 0.408 0.395 0.750 0.333 CB 1.264 Z: 36 42.909 2.255 1.008 0.569 0.914 0.571 CB 1.639 36 residues pruned to eliminate duplicates Z: 73 54.962 2.156 0.812 0.551 0.931 0.639 CB 1.695 73 residues pruned to eliminate duplicates Z: 14 29.461 2.082 0.949 0.918 1.000 0.923 CB 1.421 14 residues pruned to eliminate duplicates Z: 14 8.634 1.812 0.579 0.409 0.923 0.538 CB 0.998 Z: 16 27.678 2.035 0.709 0.907 1.000 0.467 CA 1.461 16 residues pruned to eliminate duplicates Z: 12 3.793 1.544 0.070 0.438 0.909 0.455 CB 0.811 Z: 9 7.638 1.704 0.000 0.714 1.000 0.875 CB 1.305 8 residues pruned to eliminate duplicates Z: 16 29.361 2.233 0.737 0.811 0.867 0.600 CA 1.720 16 residues pruned to eliminate duplicates Z: 25 27.445 2.021 1.079 0.614 0.875 0.583 CB 1.368 24 residues pruned to eliminate duplicates Z: 15 16.335 2.024 0.219 0.847 0.929 0.929 CA 1.415 15 residues pruned to eliminate duplicates 6 1.846 1.412 0.076 0.641 1.000 0.800 CB 0.476 ? Z: 8 4.175 1.666 0.138 0.833 0.857 0.857 CB 0.729 11 1.962 1.315 0.123 0.293 0.900 0.400 CB 0.589 ? Z: 6 4.821 1.796 0.368 0.291 0.800 0.600 O 1.386 6 residues pruned to eliminate duplicates Z: 16 31.534 2.036 0.944 0.924 1.000 0.867 CA 1.444 16 residues pruned to eliminate duplicates Z: 11 14.310 1.909 0.411 0.859 0.900 0.700 CB 1.373 13 residues pruned to eliminate duplicates Z: 19 12.025 1.750 0.470 0.499 0.889 0.556 CB 1.241 19 residues pruned to eliminate duplicates Z: 14 32.534 2.112 1.087 0.946 1.000 0.769 CB 1.416 14 residues pruned to eliminate duplicates Z: 52 42.147 2.111 0.944 0.576 0.941 0.588 CB 1.420 46 residues pruned to eliminate duplicates Z: 7 5.980 1.667 0.032 0.679 1.000 0.667 CB 1.203 Z: 17 20.286 2.092 0.482 0.789 0.938 0.688 CA 1.354 17 residues pruned to eliminate duplicates Z: 15 27.154 1.926 0.951 0.912 1.000 0.786 CB 1.367 15 residues pruned to eliminate duplicates Z: 66 54.839 2.239 0.848 0.627 0.923 0.692 CB 1.580 66 residues pruned to eliminate duplicates Z: 50 51.945 2.225 0.850 0.611 0.939 0.694 CB 1.727 50 residues pruned to eliminate duplicates Z: 10 9.370 1.743 0.220 0.589 0.889 0.667 CB 1.517 9 residues pruned to eliminate duplicates Z: 13 7.185 1.781 0.745 0.218 0.750 0.333 CB 1.240 13 residues pruned to eliminate duplicates Z: 58 46.857 2.143 0.899 0.537 0.930 0.632 CA 1.582 58 residues pruned to eliminate duplicates Z: 17 19.975 1.977 0.779 0.623 0.938 0.750 CB 1.349 17 residues pruned to eliminate duplicates Z: 15 29.172 2.018 1.500 0.732 0.857 0.643 CB 1.463 14 residues pruned to eliminate duplicates Z: 28 26.940 2.190 0.720 0.462 0.889 0.630 CB 1.609 28 residues pruned to eliminate duplicates Z: 61 48.297 2.181 0.713 0.627 0.983 0.833 CB 1.506 86 residues pruned to eliminate duplicates Z: 41 48.754 2.274 1.122 0.682 0.850 0.550 CB 1.591 30 residues pruned to eliminate duplicates Z: 49 60.562 2.302 0.922 0.630 1.000 0.812 CA 1.748 49 residues pruned to eliminate duplicates Z: 116 80.012 2.281 0.824 0.578 0.948 0.661 CA 1.756 103 residues pruned to eliminate duplicates Z: 6 2.165 1.244 0.114 0.506 0.800 0.600 N 0.868 Z: 25 30.865 2.193 0.881 0.468 0.958 0.750 CB 1.647 25 residues pruned to eliminate duplicates Z: 6 4.275 1.515 0.577 0.557 0.800 0.600 N 0.946 6 residues pruned to eliminate duplicates Z: 12 7.901 1.903 -0.120 0.628 0.818 0.364 CB 1.542 10 residues pruned to eliminate duplicates Z: 30 28.092 2.115 1.009 0.501 0.828 0.414 CB 1.482 30 residues pruned to eliminate duplicates Z: 6 10.140 1.898 1.077 0.740 1.000 0.600 N 0.928 Z: 6 4.264 1.775 -0.280 0.836 1.000 1.000 CB 1.117 Z: 16 12.109 1.851 0.263 0.802 0.800 0.533 CB 1.284 16 residues pruned to eliminate duplicates Z: 62 61.280 2.294 0.987 0.586 0.934 0.656 CA 1.696 62 residues pruned to eliminate duplicates Z: 57 66.002 2.330 0.928 0.641 0.982 0.732 CA 1.751 57 residues pruned to eliminate duplicates Z: 54 33.062 1.973 0.617 0.598 0.887 0.736 CB 1.462 54 residues pruned to eliminate duplicates Z: 12 17.126 1.920 0.863 0.787 0.818 0.545 CA 1.370 12 residues pruned to eliminate duplicates Z: 21 26.641 2.049 0.888 0.509 0.950 0.650 CB 1.606 28 residues pruned to eliminate duplicates Z: 39 38.857 2.142 0.785 0.594 1.000 0.816 CB 1.507 41 residues pruned to eliminate duplicates Z: 21 29.896 2.089 0.767 0.851 0.950 0.550 CB 1.411 21 residues pruned to eliminate duplicates Z: 9 8.466 1.823 -0.029 0.767 1.000 1.000 CB 1.335 Z: 6 2.708 1.422 0.093 0.471 0.800 0.600 N 1.003 5 residues pruned to eliminate duplicates Z: 79 65.621 2.282 0.984 0.565 0.923 0.692 CB 1.670 130 residues pruned to eliminate duplicates Z: 9 10.953 1.807 0.587 0.878 0.875 0.750 CA 1.120 9 residues pruned to eliminate duplicates Z: 15 15.885 1.975 1.126 0.641 0.643 0.643 CB 1.379 15 residues pruned to eliminate duplicates Z: 26 23.697 2.085 1.116 0.518 0.720 0.640 CB 1.465 26 residues pruned to eliminate duplicates Z: 8 3.538 1.508 0.917 0.230 0.857 0.571 CB 0.740 Z: 15 25.677 2.152 0.688 0.897 1.000 0.500 CA 1.352 15 residues pruned to eliminate duplicates Z: 16 19.443 2.246 1.324 0.407 0.667 0.600 CA 1.591 16 residues pruned to eliminate duplicates Z: 10 14.146 1.751 0.851 0.903 0.889 0.444 CB 1.167 Z: 14 26.979 2.011 1.166 0.937 1.000 0.846 CB 1.195 14 residues pruned to eliminate duplicates Z: 17 23.389 1.950 0.868 0.784 0.938 0.812 CB 1.333 17 residues pruned to eliminate duplicates Z: 48 45.697 2.147 0.803 0.652 0.979 0.745 CB 1.527 54 residues pruned to eliminate duplicates Z: 65 65.182 2.278 0.914 0.616 0.984 0.750 CB 1.701 65 residues pruned to eliminate duplicates Z: 12 31.109 2.382 0.630 0.814 1.000 0.909 CA 1.839 12 residues pruned to eliminate duplicates Z: 9 4.288 1.554 0.144 0.534 1.000 0.375 CB 0.824 9 residues pruned to eliminate duplicates Z: 7 3.130 1.720 -0.124 0.307 1.000 0.667 CB 1.051 Z: 8 7.078 1.771 0.938 0.434 0.714 0.571 CA 1.168 8 residues pruned to eliminate duplicates Z: 45 50.887 2.256 1.089 0.601 0.932 0.500 CB 1.587 45 residues pruned to eliminate duplicates Z: 9 10.023 1.641 0.439 0.861 1.000 0.750 CB 1.103 9 residues pruned to eliminate duplicates Z: 17 26.484 2.166 0.697 0.555 1.000 0.812 CB 1.707 17 residues pruned to eliminate duplicates Z: 6 4.243 1.417 0.655 0.510 0.800 0.400 CB 1.002 Z: 18 33.350 2.192 1.149 0.600 0.941 0.647 CA 1.659 20 residues pruned to eliminate duplicates Z: 36 44.374 2.258 1.020 0.594 0.943 0.800 CB 1.595 36 residues pruned to eliminate duplicates Z: 6 5.189 1.781 -0.085 0.761 1.000 0.600 CB 1.130 6 residues pruned to eliminate duplicates Z: 69 54.718 2.198 0.913 0.593 0.926 0.676 CB 1.558 69 residues pruned to eliminate duplicates Z: 15 17.042 2.153 0.385 0.743 0.929 0.714 CB 1.323 15 residues pruned to eliminate duplicates Z: 22 11.980 1.821 0.553 0.288 0.810 0.429 CB 1.449 22 residues pruned to eliminate duplicates Z: 11 6.674 1.763 0.328 0.343 0.700 0.600 CB 1.528 11 residues pruned to eliminate duplicates Z: 6 5.167 1.629 0.421 0.300 1.000 0.600 C 1.247 4 residues pruned to eliminate duplicates Z: 15 27.961 2.106 0.737 0.941 1.000 0.714 CB 1.418 15 residues pruned to eliminate duplicates Z: 16 16.680 1.956 0.873 0.491 0.800 0.667 CA 1.483 28 residues pruned to eliminate duplicates Z: 6 5.480 1.846 -0.202 0.791 1.000 0.600 CB 1.288 Z: 15 36.772 2.170 0.959 0.922 1.000 0.929 CB 1.626 15 residues pruned to eliminate duplicates Z: 14 20.251 1.779 1.133 0.687 0.923 0.846 CB 1.351 Z: 17 23.696 1.990 0.553 0.830 1.000 0.688 CA 1.441 17 residues pruned to eliminate duplicates Z: 16 33.801 2.146 0.992 0.698 1.000 0.333 CA 1.703 16 residues pruned to eliminate duplicates Z: 14 36.268 2.138 1.453 0.786 0.923 0.923 CA 1.615 14 residues pruned to eliminate duplicates Z: 7 11.035 2.024 0.369 0.847 0.833 0.667 CA 1.449 7 residues pruned to eliminate duplicates Z: 6 7.191 1.323 0.694 0.789 1.000 0.800 N 1.114 Z: 41 29.709 1.879 0.934 0.614 0.900 0.700 CB 1.290 28 residues pruned to eliminate duplicates Z: 24 34.577 1.922 0.957 0.878 0.957 0.739 CB 1.454 24 residues pruned to eliminate duplicates Z: 10 3.565 1.577 0.412 0.166 0.889 0.333 CB 0.901 Z: 41 47.683 2.234 0.978 0.606 0.950 0.775 CB 1.624 21 residues pruned to eliminate duplicates Z: 7 2.949 1.677 0.159 0.396 0.833 0.500 CB 0.829 7 residues pruned to eliminate duplicates Z: 13 9.051 1.639 0.534 0.694 0.833 0.750 CB 1.044 7 residues pruned to eliminate duplicates Z: 36 31.427 1.930 1.067 0.623 0.829 0.486 CB 1.432 36 residues pruned to eliminate duplicates Z: 16 27.721 1.913 1.185 0.813 0.933 0.533 CB 1.398 16 residues pruned to eliminate duplicates Z: 14 31.719 2.145 0.819 0.893 1.000 0.692 CB 1.619 14 residues pruned to eliminate duplicates Z: 16 15.184 1.886 1.234 0.701 0.867 0.867 N 0.894 11 residues pruned to eliminate duplicates Z: 38 32.395 2.070 0.936 0.485 0.892 0.622 CB 1.513 38 residues pruned to eliminate duplicates Z: 54 57.873 2.254 0.897 0.689 0.981 0.849 CB 1.594 54 residues pruned to eliminate duplicates Z: 9 20.765 1.997 0.890 0.867 1.000 0.750 CB 1.423 9 residues pruned to eliminate duplicates Z: 14 12.508 2.107 0.613 0.319 0.846 0.615 CB 1.473 14 residues pruned to eliminate duplicates Z: 11 5.697 1.537 0.593 0.237 0.800 0.300 CA 1.247 Z: 67 55.817 2.156 0.951 0.593 0.985 0.803 CB 1.517 72 residues pruned to eliminate duplicates Z: 12 7.141 1.944 0.347 0.421 0.636 0.364 CB 1.403 23 residues pruned to eliminate duplicates Z: 6 3.857 1.553 -0.297 0.823 1.000 0.800 O 1.194 6 residues pruned to eliminate duplicates Z: 8 6.522 1.824 -0.255 0.687 1.000 0.571 O 1.529 8 residues pruned to eliminate duplicates Z: 41 50.487 2.210 0.996 0.682 0.950 0.775 CB 1.612 41 residues pruned to eliminate duplicates Z: 39 46.978 2.254 1.043 0.585 0.947 0.737 CA 1.609 36 residues pruned to eliminate duplicates 6 0.981 1.281 0.309 0.346 0.400 0.400 O 0.773 ? Z: 7 2.224 1.320 0.610 0.423 0.667 0.333 N 0.694 5 residues pruned to eliminate duplicates Z: 11 8.610 1.641 0.430 0.583 1.000 0.800 CB 1.071 7 residues pruned to eliminate duplicates Z: 8 2.832 1.782 0.755 0.181 0.571 0.286 CB 0.879 8 residues pruned to eliminate duplicates Z: 8 8.671 1.591 0.508 0.703 1.000 0.714 CB 1.135 Z: 14 17.108 1.934 0.623 0.505 0.923 0.538 CB 1.629 14 residues pruned to eliminate duplicates Z: 15 30.646 2.115 0.912 0.927 1.000 0.929 CB 1.419 15 residues pruned to eliminate duplicates Z: 9 2.607 1.682 0.019 0.388 0.625 0.250 CB 0.969 Z: 9 11.489 1.670 1.111 0.784 0.875 0.500 CB 1.026 9 residues pruned to eliminate duplicates Z: 16 23.353 2.195 0.428 0.774 0.933 0.600 CA 1.617 16 residues pruned to eliminate duplicates Z: 7 5.171 1.621 0.317 0.515 0.833 0.667 CB 1.169 7 residues pruned to eliminate duplicates Z: 6 6.978 1.769 0.131 0.705 1.000 0.400 CA 1.294 6 residues pruned to eliminate duplicates Z: 18 19.697 1.942 0.918 0.562 0.882 0.353 CA 1.369 18 residues pruned to eliminate duplicates Z: 39 44.928 2.228 1.155 0.590 0.921 0.816 CA 1.511 39 residues pruned to eliminate duplicates Z: 7 4.609 1.531 -0.036 0.682 1.000 0.667 CB 1.079 7 residues pruned to eliminate duplicates Z: 14 15.932 1.950 0.968 0.470 0.923 0.769 CB 1.287 14 residues pruned to eliminate duplicates Z: 10 5.477 1.800 0.384 0.257 0.778 0.444 C 1.245 10 residues pruned to eliminate duplicates Z: 40 46.073 2.281 0.812 0.552 0.949 0.590 CB 1.789 40 residues pruned to eliminate duplicates Z: 8 9.237 1.725 0.992 0.570 0.857 0.571 CA 1.107 7 residues pruned to eliminate duplicates Z: 51 52.048 2.218 0.817 0.627 0.960 0.700 CB 1.689 51 residues pruned to eliminate duplicates Z: 8 6.894 1.522 0.275 0.635 0.857 0.429 CB 1.379 Z: 59 67.742 2.291 0.954 0.646 1.000 0.759 CB 1.734 59 residues pruned to eliminate duplicates Z: 11 18.369 2.088 0.636 0.594 1.000 0.800 CB 1.554 11 residues pruned to eliminate duplicates Z: 30 34.895 2.271 0.697 0.533 0.897 0.586 CB 1.815 30 residues pruned to eliminate duplicates Z: 32 36.346 2.226 0.988 0.587 0.903 0.710 CB 1.502 32 residues pruned to eliminate duplicates Z: 11 21.733 2.052 1.021 0.867 0.900 0.600 CB 1.347 11 residues pruned to eliminate duplicates Z: 10 14.742 1.885 0.668 0.696 0.889 0.444 CA 1.470 10 residues pruned to eliminate duplicates Z: 62 56.243 2.214 0.813 0.612 0.967 0.754 CB 1.668 62 residues pruned to eliminate duplicates Z: 14 30.759 2.113 1.196 0.906 0.923 0.692 CB 1.416 14 residues pruned to eliminate duplicates Z: 75 49.824 2.213 0.791 0.512 0.878 0.595 CB 1.644 75 residues pruned to eliminate duplicates Z: 32 45.940 2.158 0.947 0.741 1.000 0.935 CB 1.582 32 residues pruned to eliminate duplicates Z: 6 5.180 1.275 0.750 0.726 1.000 0.400 C 0.847 6 1.252 1.266 0.039 0.288 0.800 0.600 N 0.675 ? Z: 50 47.226 2.176 0.959 0.571 0.980 0.612 CB 1.508 50 residues pruned to eliminate duplicates Z: 23 28.786 2.009 0.956 0.650 0.955 0.682 CB 1.423 23 residues pruned to eliminate duplicates Z: 13 34.662 2.165 1.123 0.883 1.000 0.833 CB 1.574 13 residues pruned to eliminate duplicates Z: 19 25.422 2.113 0.642 0.513 1.000 0.500 CB 1.704 19 residues pruned to eliminate duplicates Z: 8 4.826 1.723 0.170 0.453 0.857 0.286 CB 1.108 8 residues pruned to eliminate duplicates Z: 8 7.598 1.885 0.666 0.477 0.714 0.429 CB 1.311 8 residues pruned to eliminate duplicates Z: 22 39.104 2.217 1.045 0.638 0.952 0.810 CA 1.737 22 residues pruned to eliminate duplicates Z: 27 28.517 2.197 1.084 0.359 0.885 0.615 CB 1.607 38 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 57 49.433 2.152 0.756 0.590 0.946 0.679 CB 1.695 57 residues pruned to eliminate duplicates Z: 28 35.790 2.202 0.984 0.706 0.889 0.667 CB 1.470 10 residues pruned to eliminate duplicates Z: 6 9.828 1.871 0.853 0.472 1.000 0.800 CB 1.305 6 residues pruned to eliminate duplicates Z: 26 44.281 2.219 1.217 0.717 0.960 0.640 CB 1.541 28 residues pruned to eliminate duplicates Z: 6 8.499 1.858 0.723 0.455 1.000 0.600 N 1.243 6 residues pruned to eliminate duplicates Z: 14 28.633 2.181 1.314 0.633 0.923 0.692 CA 1.505 14 residues pruned to eliminate duplicates Z: 41 41.918 2.173 0.906 0.663 0.925 0.575 CB 1.488 29 residues pruned to eliminate duplicates Z: 16 26.558 2.120 0.921 0.696 0.933 0.467 CB 1.508 16 residues pruned to eliminate duplicates Z: 38 42.695 2.217 0.909 0.640 0.946 0.541 CB 1.538 37 residues pruned to eliminate duplicates Z: 16 20.784 1.935 0.751 0.820 0.933 0.533 CB 1.286 16 residues pruned to eliminate duplicates Z: 47 40.870 2.167 1.074 0.601 0.891 0.587 CB 1.366 39 residues pruned to eliminate duplicates Z: 14 27.699 2.159 0.877 0.800 0.923 0.538 CB 1.580 14 residues pruned to eliminate duplicates Z: 45 40.314 2.228 1.027 0.597 0.886 0.568 CB 1.385 47 residues pruned to eliminate duplicates Z: 14 30.424 2.148 1.207 0.837 1.000 0.385 CB 1.332 14 residues pruned to eliminate duplicates Z: 35 27.902 2.121 0.895 0.546 0.853 0.441 CB 1.334 35 residues pruned to eliminate duplicates Z: 33 26.086 2.154 0.922 0.546 0.781 0.438 CB 1.364 33 residues pruned to eliminate duplicates Z: 38 44.519 2.239 1.036 0.669 0.865 0.595 CB 1.588 38 residues pruned to eliminate duplicates Z: 23 36.130 2.119 0.930 0.817 0.955 0.500 CB 1.498 23 residues pruned to eliminate duplicates Z: 38 48.095 2.188 1.063 0.715 0.946 0.486 CB 1.525 37 residues pruned to eliminate duplicates Z: 24 34.155 2.075 0.918 0.833 0.913 0.739 CB 1.471 24 residues pruned to eliminate duplicates Z: 35 35.545 2.207 1.037 0.579 0.853 0.471 CB 1.473 38 residues pruned to eliminate duplicates Z: 22 43.061 2.189 1.244 0.859 0.952 0.667 CB 1.478 22 residues pruned to eliminate duplicates Z: 114 80.766 2.281 1.028 0.591 0.912 0.619 CB 1.653 157 residues pruned to eliminate duplicates Z: 42 41.626 2.231 1.032 0.661 0.902 0.585 CB 1.369 Z: 11 14.738 2.082 0.646 0.678 0.800 0.600 CB 1.443 11 residues pruned to eliminate duplicates Z: 26 19.200 1.975 0.847 0.414 0.880 0.480 CB 1.308 18 residues pruned to eliminate duplicates Z: 15 10.360 1.915 0.691 0.476 0.714 0.500 CB 1.225 15 residues pruned to eliminate duplicates Z: 39 28.123 2.115 0.948 0.475 0.868 0.500 CB 1.308 39 residues pruned to eliminate duplicates Z: 20 20.694 2.066 0.913 0.474 0.895 0.474 CB 1.379 20 residues pruned to eliminate duplicates Z: 105 69.812 2.278 0.874 0.583 0.923 0.625 CB 1.604 118 residues pruned to eliminate duplicates Z: 6 8.366 1.529 1.058 0.524 1.000 0.800 CA 1.162 6 residues pruned to eliminate duplicates Z: 67 64.713 2.321 0.858 0.595 0.985 0.788 CB 1.712 67 residues pruned to eliminate duplicates Z: 105 78.405 2.268 1.066 0.608 0.913 0.644 CB 1.621 105 residues pruned to eliminate duplicates Z: 100 77.857 2.303 0.989 0.616 0.929 0.667 CB 1.647 100 residues pruned to eliminate duplicates Z: 66 60.090 2.293 0.826 0.585 0.938 0.708 CB 1.749 66 residues pruned to eliminate duplicates Z: 60 68.391 2.349 1.053 0.616 0.949 0.712 CB 1.744 60 residues pruned to eliminate duplicates Z: 70 66.802 2.318 1.031 0.561 0.971 0.667 CB 1.659 70 residues pruned to eliminate duplicates Z: 64 66.880 2.353 0.993 0.594 0.952 0.683 CB 1.725 64 residues pruned to eliminate duplicates Z: 61 61.520 2.330 1.012 0.595 0.900 0.683 CB 1.719 61 residues pruned to eliminate duplicates Z: 64 67.496 2.368 1.012 0.594 0.952 0.698 CB 1.714 64 residues pruned to eliminate duplicates Z: 102 63.836 2.199 1.008 0.551 0.871 0.584 CB 1.571 102 residues pruned to eliminate duplicates Z: 67 67.110 2.316 1.013 0.580 0.970 0.727 CB 1.691 67 residues pruned to eliminate duplicates Z: 63 60.346 2.337 0.946 0.563 0.919 0.629 CB 1.724 63 residues pruned to eliminate duplicates Z: 128 91.632 2.317 0.948 0.607 0.961 0.724 CB 1.693 128 residues pruned to eliminate duplicates Z: 41 51.826 2.309 0.928 0.627 0.950 0.700 CB 1.718 41 residues pruned to eliminate duplicates Z: 103 85.865 2.313 1.148 0.597 0.931 0.657 CB 1.674 103 residues pruned to eliminate duplicates Z: 16 29.388 2.131 0.825 0.923 0.933 0.867 CA 1.469 16 residues pruned to eliminate duplicates Z: 66 64.400 2.346 0.886 0.583 0.969 0.677 CB 1.721 66 residues pruned to eliminate duplicates Z: 61 68.361 2.359 1.012 0.596 0.967 0.717 CB 1.755 61 residues pruned to eliminate duplicates Z: 65 67.449 2.351 1.049 0.585 0.938 0.703 CB 1.720 65 residues pruned to eliminate duplicates Z: 121 83.825 2.276 0.889 0.606 0.967 0.725 CB 1.664 121 residues pruned to eliminate duplicates Z: 63 64.036 2.310 1.022 0.566 0.968 0.645 CB 1.688 63 residues pruned to eliminate duplicates Z: 67 64.688 2.324 1.001 0.580 0.939 0.621 CB 1.687 67 residues pruned to eliminate duplicates Z: 70 65.016 2.310 1.016 0.545 0.942 0.623 CB 1.707 70 residues pruned to eliminate duplicates Z: 122 89.571 2.321 0.943 0.615 0.950 0.719 CB 1.703 122 residues pruned to eliminate duplicates Z: 57 63.771 2.314 0.990 0.627 0.946 0.679 CB 1.735 57 residues pruned to eliminate duplicates Z: 38 50.680 2.220 1.021 0.693 0.973 0.730 CB 1.600 38 residues pruned to eliminate duplicates Z: 124 91.163 2.306 0.974 0.615 0.959 0.683 CB 1.689 124 residues pruned to eliminate duplicates Z: 122 91.062 2.307 0.990 0.608 0.967 0.711 CB 1.683 122 residues pruned to eliminate duplicates Z: 64 63.185 2.304 1.018 0.558 0.952 0.603 CB 1.699 64 residues pruned to eliminate duplicates Z: 66 61.089 2.304 0.936 0.588 0.938 0.692 CB 1.664 66 residues pruned to eliminate duplicates Z: 67 59.500 2.307 0.919 0.553 0.955 0.652 CB 1.645 67 residues pruned to eliminate duplicates Z: 66 66.068 2.342 1.011 0.585 0.938 0.738 CB 1.708 66 residues pruned to eliminate duplicates Z: 66 65.384 2.335 0.981 0.583 0.954 0.662 CB 1.698 66 residues pruned to eliminate duplicates Z: 127 87.093 2.311 0.952 0.603 0.937 0.722 CB 1.665 102 residues pruned to eliminate duplicates Z: 6 6.626 1.828 1.030 0.281 1.000 0.600 CA 1.023 Z: 6 7.211 1.837 0.695 0.482 0.800 0.600 CA 1.318 6 residues pruned to eliminate duplicates Z: 113 88.936 2.311 1.018 0.621 0.946 0.696 CB 1.698 119 residues pruned to eliminate duplicates Z: 80 66.486 2.276 1.026 0.563 0.937 0.696 CB 1.629 80 residues pruned to eliminate duplicates Z: 65 68.526 2.331 1.041 0.596 0.953 0.672 CB 1.723 65 residues pruned to eliminate duplicates Z: 67 65.960 2.340 1.001 0.577 0.955 0.667 CB 1.686 67 residues pruned to eliminate duplicates Z: 57 69.445 2.327 1.072 0.653 0.982 0.696 CB 1.699 57 residues pruned to eliminate duplicates Z: 78 64.234 2.284 1.000 0.548 0.935 0.623 CB 1.634 78 residues pruned to eliminate duplicates Z: 63 59.186 2.296 1.018 0.546 0.903 0.629 CB 1.717 63 residues pruned to eliminate duplicates Z: 60 67.969 2.360 1.072 0.603 0.915 0.678 CB 1.792 60 residues pruned to eliminate duplicates Z: 124 86.511 2.316 0.908 0.597 0.935 0.650 CB 1.721 124 residues pruned to eliminate duplicates Z: 66 58.342 2.259 0.838 0.582 0.985 0.800 CB 1.636 66 residues pruned to eliminate duplicates Z: 7 4.494 1.906 0.664 0.083 0.833 0.333 CB 1.190 Z: 8 5.387 1.689 0.767 0.367 0.857 0.143 CA 0.918 7 residues pruned to eliminate duplicates Z: 7 6.076 1.512 0.809 0.483 1.000 0.833 CB 0.922 Z: 6 6.681 1.773 1.349 0.324 0.800 0.400 CA 1.087 5 residues pruned to eliminate duplicates Z: 6 3.174 1.714 0.827 0.299 0.800 0.600 CA 0.709 Z: 61 59.874 2.280 0.822 0.616 0.983 0.817 CB 1.696 83 residues pruned to eliminate duplicates Z: 65 63.354 2.291 0.938 0.596 0.953 0.781 CB 1.707 66 residues pruned to eliminate duplicates Z: 17 25.272 2.126 0.604 0.791 1.000 0.812 CB 1.434 17 residues pruned to eliminate duplicates Z: 62 58.976 2.251 0.860 0.603 0.984 0.705 CB 1.662 62 residues pruned to eliminate duplicates Z: 62 57.481 2.257 0.799 0.622 0.967 0.738 CB 1.670 62 residues pruned to eliminate duplicates Z: 67 58.766 2.260 0.817 0.587 0.970 0.667 CB 1.672 67 residues pruned to eliminate duplicates Z: 66 62.823 2.292 0.884 0.591 0.969 0.723 CB 1.706 66 residues pruned to eliminate duplicates Z: 60 60.525 2.284 0.899 0.612 0.983 0.712 CB 1.662 60 residues pruned to eliminate duplicates Z: 67 57.099 2.257 0.838 0.580 0.924 0.652 CB 1.698 67 residues pruned to eliminate duplicates Z: 67 61.138 2.274 0.928 0.584 0.955 0.652 CB 1.659 67 residues pruned to eliminate duplicates Z: 67 60.426 2.238 0.924 0.574 0.970 0.591 CB 1.658 67 residues pruned to eliminate duplicates Z: 64 63.260 2.285 0.940 0.597 0.984 0.667 CB 1.665 64 residues pruned to eliminate duplicates Z: 67 60.478 2.268 0.874 0.597 0.970 0.742 CB 1.647 67 residues pruned to eliminate duplicates Z: 66 61.927 2.283 0.928 0.591 0.954 0.692 CB 1.676 66 residues pruned to eliminate duplicates Z: 66 63.336 2.281 0.942 0.592 0.969 0.646 CB 1.675 66 residues pruned to eliminate duplicates Z: 61 60.053 2.271 0.854 0.610 0.983 0.733 CB 1.687 61 residues pruned to eliminate duplicates Z: 67 62.802 2.276 0.944 0.590 0.970 0.727 CB 1.653 67 residues pruned to eliminate duplicates Z: 50 43.629 2.167 0.689 0.600 0.959 0.592 CB 1.614 50 residues pruned to eliminate duplicates Z: 61 61.395 2.268 0.936 0.620 0.950 0.667 CB 1.697 61 residues pruned to eliminate duplicates Z: 60 54.378 2.243 0.884 0.607 0.932 0.780 CB 1.623 60 residues pruned to eliminate duplicates Z: 63 60.089 2.268 0.875 0.615 0.968 0.726 CB 1.664 63 residues pruned to eliminate duplicates Z: 60 39.422 2.112 0.600 0.567 0.949 0.610 CB 1.500 60 residues pruned to eliminate duplicates Z: 62 59.656 2.234 0.875 0.599 0.984 0.672 CB 1.686 62 residues pruned to eliminate duplicates Z: 59 62.270 2.300 0.852 0.615 1.000 0.672 CB 1.723 59 residues pruned to eliminate duplicates Z: 67 60.550 2.255 0.830 0.581 0.985 0.636 CB 1.697 67 residues pruned to eliminate duplicates Z: 64 55.762 2.277 0.799 0.578 0.952 0.683 CB 1.671 64 residues pruned to eliminate duplicates Z: 66 58.137 2.281 0.812 0.568 0.969 0.692 CB 1.686 66 residues pruned to eliminate duplicates Z: 61 63.116 2.265 0.889 0.627 1.000 0.750 CB 1.689 61 residues pruned to eliminate duplicates Z: 61 59.943 2.263 0.923 0.629 0.950 0.700 CB 1.658 61 residues pruned to eliminate duplicates Z: 65 60.696 2.294 0.869 0.595 0.953 0.703 CB 1.695 65 residues pruned to eliminate duplicates Z: 67 58.201 2.266 0.816 0.586 0.939 0.682 CB 1.706 67 residues pruned to eliminate duplicates Z: 79 61.291 2.244 0.889 0.581 0.949 0.679 CB 1.596 79 residues pruned to eliminate duplicates Z: 62 59.542 2.262 0.826 0.619 0.984 0.738 CB 1.677 62 residues pruned to eliminate duplicates Z: 67 59.492 2.260 0.887 0.594 0.955 0.712 CB 1.644 67 residues pruned to eliminate duplicates Z: 67 58.746 2.267 0.857 0.570 0.970 0.682 CB 1.656 67 residues pruned to eliminate duplicates Z: 59 42.667 2.128 0.690 0.569 0.948 0.655 CB 1.537 59 residues pruned to eliminate duplicates Z: 67 63.594 2.253 0.967 0.588 0.970 0.697 CB 1.674 67 residues pruned to eliminate duplicates Z: 58 56.466 2.279 0.829 0.643 0.947 0.789 CB 1.657 58 residues pruned to eliminate duplicates Z: 55 44.330 2.136 0.768 0.596 0.963 0.611 CB 1.514 55 residues pruned to eliminate duplicates Z: 17 30.704 2.273 0.811 0.577 1.000 0.875 CB 1.732 17 residues pruned to eliminate duplicates Z: 62 61.652 2.250 0.889 0.627 0.984 0.721 CB 1.676 62 residues pruned to eliminate duplicates Z: 17 30.225 2.255 0.850 0.567 1.000 0.750 CB 1.697 17 residues pruned to eliminate duplicates Z: 69 61.293 2.249 0.921 0.589 0.956 0.706 CB 1.652 69 residues pruned to eliminate duplicates Z: 66 64.006 2.278 0.917 0.620 0.969 0.723 CB 1.675 66 residues pruned to eliminate duplicates Z: 68 51.065 2.244 0.788 0.558 0.910 0.687 CB 1.615 68 residues pruned to eliminate duplicates Z: 124 86.513 2.319 0.908 0.599 0.943 0.667 CB 1.700 124 residues pruned to eliminate duplicates Z: 71 60.808 2.281 0.929 0.585 0.900 0.686 CB 1.692 71 residues pruned to eliminate duplicates Z: 10 6.380 1.821 0.902 0.267 0.667 0.222 CB 1.201 10 residues pruned to eliminate duplicates Z: 21 23.766 2.231 0.771 0.545 0.800 0.550 CB 1.609 21 residues pruned to eliminate duplicates Z: 10 7.216 1.939 0.823 0.289 0.778 0.444 CB 1.108 10 residues pruned to eliminate duplicates Z: 9 7.064 1.928 0.687 0.275 0.750 0.250 CB 1.321 Z: 6 4.200 1.698 0.691 0.126 0.800 0.200 CA 1.307 6 residues pruned to eliminate duplicates Z: 82 71.056 2.300 1.006 0.593 0.951 0.716 CB 1.647 91 residues pruned to eliminate duplicates Z: 59 65.310 2.328 0.944 0.616 1.000 0.724 CB 1.699 59 residues pruned to eliminate duplicates Z: 123 88.383 2.284 0.971 0.617 0.951 0.762 CB 1.674 123 residues pruned to eliminate duplicates Z: 122 94.269 2.323 0.974 0.634 0.975 0.744 CB 1.690 122 residues pruned to eliminate duplicates Z: 56 67.982 2.325 0.976 0.655 1.000 0.709 CB 1.727 56 residues pruned to eliminate duplicates Z: 61 68.662 2.353 1.059 0.603 0.967 0.733 CB 1.716 61 residues pruned to eliminate duplicates Z: 26 22.740 1.996 0.739 0.683 0.880 0.640 CB 1.258 26 residues pruned to eliminate duplicates Z: 15 26.920 1.992 0.876 0.860 1.000 0.786 CB 1.416 15 residues pruned to eliminate duplicates Z: 26 43.371 2.149 1.263 0.709 0.960 0.640 CB 1.536 26 residues pruned to eliminate duplicates Z: 79 52.408 2.172 0.679 0.595 0.962 0.679 CB 1.545 79 residues pruned to eliminate duplicates Z: 19 30.153 2.068 1.170 0.639 0.889 0.556 CB 1.564 19 residues pruned to eliminate duplicates Z: 103 64.693 2.153 0.933 0.607 0.912 0.696 CB 1.525 103 residues pruned to eliminate duplicates Z: 72 59.435 2.233 0.917 0.620 0.901 0.690 CB 1.632 72 residues pruned to eliminate duplicates Z: 27 27.834 2.068 0.822 0.581 0.846 0.538 CA 1.584 27 residues pruned to eliminate duplicates Z: 22 21.080 1.951 0.803 0.549 0.905 0.619 CB 1.378 22 residues pruned to eliminate duplicates Z: 26 30.797 2.118 0.843 0.705 0.840 0.680 CB 1.559 33 residues pruned to eliminate duplicates Z: 23 38.058 2.071 0.884 0.869 0.955 0.682 CB 1.591 25 residues pruned to eliminate duplicates Z: 23 35.438 2.047 0.924 0.832 0.955 0.500 CB 1.509 22 residues pruned to eliminate duplicates Z: 22 32.316 2.079 0.762 0.849 0.952 0.714 CB 1.499 22 residues pruned to eliminate duplicates Z: 35 17.335 1.915 0.735 0.426 0.735 0.265 CB 1.314 31 residues pruned to eliminate duplicates Z: 22 29.549 2.066 0.973 0.813 0.857 0.667 CB 1.406 22 residues pruned to eliminate duplicates Z: 42 27.729 2.035 1.054 0.468 0.780 0.537 CB 1.371 42 residues pruned to eliminate duplicates Z: 86 56.455 2.181 0.841 0.561 0.918 0.576 CB 1.567 86 residues pruned to eliminate duplicates Z: 84 53.693 2.135 0.863 0.543 0.928 0.663 CB 1.532 84 residues pruned to eliminate duplicates Z: 13 15.543 1.853 0.951 0.786 1.000 0.333 CB 0.965 13 residues pruned to eliminate duplicates Z: 55 39.762 2.020 0.840 0.579 0.889 0.593 CB 1.517 55 residues pruned to eliminate duplicates Z: 104 66.413 2.223 0.847 0.598 0.932 0.670 CB 1.557 108 residues pruned to eliminate duplicates Z: 11 13.678 1.845 0.590 0.774 0.900 0.400 CB 1.286 11 residues pruned to eliminate duplicates Z: 29 25.962 2.080 0.651 0.599 0.857 0.464 CB 1.516 29 residues pruned to eliminate duplicates Z: 40 27.958 1.993 0.787 0.483 0.846 0.538 CB 1.511 40 residues pruned to eliminate duplicates Z: 13 13.307 1.903 0.694 0.597 0.750 0.583 CB 1.449 13 residues pruned to eliminate duplicates Z: 47 42.447 2.138 0.933 0.585 0.913 0.587 CB 1.528 47 residues pruned to eliminate duplicates Z: 17 10.665 1.780 0.283 0.516 0.875 0.312 CA 1.313 17 residues pruned to eliminate duplicates Z: 30 27.416 2.111 0.793 0.615 0.828 0.621 CB 1.458 30 residues pruned to eliminate duplicates Z: 23 14.933 1.892 0.636 0.398 0.818 0.364 CA 1.400 23 residues pruned to eliminate duplicates Z: 22 14.556 1.961 0.545 0.371 0.857 0.429 CA 1.405 22 residues pruned to eliminate duplicates Z: 21 14.807 1.975 0.544 0.467 0.800 0.500 CA 1.403 21 residues pruned to eliminate duplicates Z: 16 7.116 1.825 0.478 0.163 0.733 0.333 CB 1.400 16 residues pruned to eliminate duplicates Z: 9 11.305 2.051 0.629 0.421 1.000 0.375 CB 1.299 9 residues pruned to eliminate duplicates Z: 24 17.040 1.966 0.660 0.341 0.913 0.565 CB 1.418 24 residues pruned to eliminate duplicates Z: 30 21.075 2.044 0.702 0.490 0.793 0.517 CB 1.432 30 residues pruned to eliminate duplicates Z: 69 54.770 2.222 0.865 0.582 0.926 0.735 CB 1.600 69 residues pruned to eliminate duplicates Z: 68 53.978 2.245 0.827 0.572 0.940 0.761 CB 1.594 68 residues pruned to eliminate duplicates Z: 12 9.351 1.885 0.760 0.345 0.818 0.636 CB 1.228 12 residues pruned to eliminate duplicates Z: 13 10.784 2.047 0.728 0.211 0.750 0.417 CA 1.651 13 residues pruned to eliminate duplicates Z: 64 57.874 2.277 0.847 0.606 0.952 0.762 CB 1.646 64 residues pruned to eliminate duplicates Z: 68 59.249 2.209 0.960 0.612 0.955 0.672 CB 1.574 68 residues pruned to eliminate duplicates Z: 66 55.595 2.209 0.858 0.610 0.954 0.738 CB 1.587 66 residues pruned to eliminate duplicates Z: 42 44.732 2.194 0.764 0.647 0.976 0.829 CB 1.613 42 residues pruned to eliminate duplicates Z: 48 43.885 2.179 0.894 0.595 0.894 0.809 CB 1.586 48 residues pruned to eliminate duplicates Z: 66 57.553 2.254 0.836 0.617 0.954 0.785 CB 1.618 66 residues pruned to eliminate duplicates Z: 70 54.732 2.213 0.813 0.594 0.957 0.725 CB 1.570 70 residues pruned to eliminate duplicates Z: 64 53.231 2.211 0.827 0.601 0.937 0.714 CB 1.610 64 residues pruned to eliminate duplicates Z: 65 57.039 2.249 0.882 0.602 0.938 0.719 CB 1.631 65 residues pruned to eliminate duplicates Z: 65 55.151 2.251 0.820 0.608 0.938 0.766 CB 1.621 65 residues pruned to eliminate duplicates Z: 69 59.032 2.266 0.842 0.598 0.956 0.691 CB 1.633 69 residues pruned to eliminate duplicates Z: 71 54.951 2.221 0.822 0.566 0.943 0.714 CB 1.614 71 residues pruned to eliminate duplicates Z: 44 38.656 2.071 0.849 0.622 0.930 0.767 CB 1.475 44 residues pruned to eliminate duplicates Z: 62 57.189 2.255 0.890 0.598 0.967 0.770 CB 1.618 62 residues pruned to eliminate duplicates Z: 58 54.799 2.249 0.901 0.657 0.947 0.825 CB 1.549 58 residues pruned to eliminate duplicates Z: 56 56.560 2.252 0.882 0.659 1.000 0.873 CB 1.553 56 residues pruned to eliminate duplicates Z: 59 59.293 2.262 0.960 0.633 0.966 0.793 CB 1.605 59 residues pruned to eliminate duplicates Z: 106 76.663 2.220 0.938 0.637 0.971 0.743 CB 1.575 67 residues pruned to eliminate duplicates Z: 14 36.249 2.213 0.973 0.923 1.000 0.769 CB 1.617 14 residues pruned to eliminate duplicates Z: 66 55.019 2.216 0.883 0.599 0.938 0.708 CB 1.586 66 residues pruned to eliminate duplicates Z: 55 59.441 2.249 0.969 0.680 1.000 0.759 CB 1.548 55 residues pruned to eliminate duplicates Z: 70 55.391 2.233 0.853 0.578 0.942 0.739 CB 1.587 70 residues pruned to eliminate duplicates Z: 62 58.321 2.262 0.935 0.613 0.967 0.689 CB 1.585 62 residues pruned to eliminate duplicates Z: 69 57.292 2.250 0.886 0.582 0.971 0.794 CB 1.559 69 residues pruned to eliminate duplicates Z: 61 57.331 2.226 0.994 0.621 0.967 0.767 CB 1.538 61 residues pruned to eliminate duplicates Z: 65 58.808 2.263 0.938 0.601 0.938 0.719 CB 1.624 65 residues pruned to eliminate duplicates Z: 64 55.630 2.206 0.942 0.598 0.968 0.698 CB 1.539 64 residues pruned to eliminate duplicates Z: 59 59.538 2.280 0.919 0.647 0.966 0.793 CB 1.614 59 residues pruned to eliminate duplicates Z: 68 57.907 2.258 0.895 0.598 0.970 0.761 CB 1.553 68 residues pruned to eliminate duplicates Z: 60 58.603 2.256 0.903 0.634 0.983 0.712 CB 1.595 62 residues pruned to eliminate duplicates Z: 16 25.550 2.065 0.721 0.809 1.000 0.667 CB 1.419 16 residues pruned to eliminate duplicates Z: 59 61.239 2.265 0.994 0.639 0.983 0.776 CB 1.591 59 residues pruned to eliminate duplicates Z: 104 62.983 2.131 0.901 0.572 0.932 0.689 CB 1.534 104 residues pruned to eliminate duplicates Z: 78 55.217 2.185 0.886 0.601 0.948 0.714 CB 1.463 78 residues pruned to eliminate duplicates Z: 69 59.570 2.212 0.964 0.594 0.956 0.750 CB 1.590 69 residues pruned to eliminate duplicates Z: 59 58.878 2.246 0.947 0.634 0.983 0.690 CB 1.587 59 residues pruned to eliminate duplicates Z: 11 18.781 1.914 0.520 0.844 1.000 0.600 CB 1.519 11 residues pruned to eliminate duplicates Z: 68 62.694 2.261 0.936 0.612 0.970 0.806 CB 1.622 68 residues pruned to eliminate duplicates Z: 57 61.525 2.290 0.932 0.661 1.000 0.714 CB 1.601 58 residues pruned to eliminate duplicates Z: 16 22.323 2.078 0.744 0.718 0.933 0.533 CB 1.399 16 residues pruned to eliminate duplicates Z: 67 54.047 2.190 0.898 0.599 0.955 0.697 CB 1.526 67 residues pruned to eliminate duplicates Z: 60 57.422 2.252 0.896 0.624 0.983 0.797 CB 1.585 60 residues pruned to eliminate duplicates Z: 73 49.158 2.176 0.825 0.543 0.889 0.667 CB 1.574 73 residues pruned to eliminate duplicates Z: 68 60.140 2.268 0.910 0.607 0.970 0.776 CB 1.579 68 residues pruned to eliminate duplicates Z: 59 59.690 2.262 0.949 0.637 0.983 0.793 CB 1.592 59 residues pruned to eliminate duplicates Z: 70 57.482 2.224 0.939 0.565 0.942 0.696 CB 1.600 70 residues pruned to eliminate duplicates Z: 59 58.329 2.255 0.948 0.634 0.966 0.741 CB 1.592 59 residues pruned to eliminate duplicates Z: 62 57.344 2.237 0.886 0.615 0.967 0.738 CB 1.614 62 residues pruned to eliminate duplicates Z: 57 61.903 2.284 0.944 0.660 0.982 0.821 CB 1.635 57 residues pruned to eliminate duplicates Z: 62 57.032 2.205 0.896 0.631 0.984 0.852 CB 1.570 62 residues pruned to eliminate duplicates Z: 59 59.241 2.243 0.998 0.637 0.983 0.810 CB 1.554 59 residues pruned to eliminate duplicates Z: 69 55.652 2.197 0.909 0.591 0.971 0.794 CB 1.520 69 residues pruned to eliminate duplicates Z: 55 55.962 2.240 0.960 0.643 0.944 0.778 CB 1.606 55 residues pruned to eliminate duplicates Z: 92 69.469 2.230 0.956 0.645 0.912 0.692 CB 1.599 92 residues pruned to eliminate duplicates Z: 85 66.376 2.219 0.965 0.632 0.905 0.762 CB 1.621 85 residues pruned to eliminate duplicates Z: 15 24.351 1.955 1.250 0.621 0.857 0.786 CA 1.540 15 residues pruned to eliminate duplicates Z: 16 29.749 1.996 1.168 0.658 1.000 0.667 CA 1.533 16 residues pruned to eliminate duplicates Z: 6 7.758 1.727 0.738 0.422 1.000 0.600 CA 1.253 Z: 6 8.770 1.746 0.794 0.494 1.000 0.600 CA 1.260 6 residues pruned to eliminate duplicates Z: 36 43.180 2.195 0.954 0.721 0.857 0.543 CB 1.627 42 residues pruned to eliminate duplicates Z: 27 49.340 2.251 1.155 0.736 0.962 0.615 CB 1.679 27 residues pruned to eliminate duplicates Z: 40 24.785 1.967 0.695 0.533 0.769 0.487 CB 1.498 40 residues pruned to eliminate duplicates Z: 37 50.657 2.191 1.106 0.682 0.944 0.528 CB 1.639 37 residues pruned to eliminate duplicates Z: 40 40.364 2.143 0.956 0.663 0.872 0.538 CB 1.521 40 residues pruned to eliminate duplicates Z: 38 37.410 2.131 0.987 0.666 0.811 0.514 CB 1.537 38 residues pruned to eliminate duplicates Z: 39 46.926 2.176 0.938 0.680 0.921 0.632 CB 1.660 39 residues pruned to eliminate duplicates Z: 97 73.643 2.266 0.987 0.633 0.927 0.667 CB 1.588 97 residues pruned to eliminate duplicates Z: 32 23.983 2.042 0.634 0.565 0.903 0.355 CB 1.342 32 residues pruned to eliminate duplicates Z: 36 43.344 2.166 0.986 0.678 0.886 0.600 CB 1.633 36 residues pruned to eliminate duplicates Z: 38 35.993 2.137 0.838 0.569 0.892 0.514 CB 1.580 38 residues pruned to eliminate duplicates Z: 28 37.012 2.129 1.095 0.669 0.889 0.630 CB 1.537 28 residues pruned to eliminate duplicates Z: 38 43.722 2.163 0.986 0.677 0.919 0.568 CB 1.547 38 residues pruned to eliminate duplicates Z: 94 60.358 2.199 0.812 0.604 0.914 0.656 CB 1.556 94 residues pruned to eliminate duplicates Z: 38 44.207 2.134 1.013 0.660 0.919 0.622 CB 1.588 38 residues pruned to eliminate duplicates Z: 6 5.270 1.683 0.807 0.303 0.800 0.600 C 1.206 6 residues pruned to eliminate duplicates Z: 35 44.059 2.207 1.090 0.635 0.882 0.588 CB 1.637 31 residues pruned to eliminate duplicates Z: 6 7.700 1.859 0.878 0.420 0.800 0.600 CA 1.341 6 residues pruned to eliminate duplicates Z: 41 49.030 2.256 1.177 0.629 0.850 0.650 CB 1.646 45 residues pruned to eliminate duplicates Z: 6 3.027 1.748 1.189 0.429 0.600 0.600 CA 0.635 6 residues pruned to eliminate duplicates Z: 90 80.058 2.278 1.067 0.605 0.944 0.596 CA 1.727 131 residues pruned to eliminate duplicates Z: 103 76.098 2.269 1.079 0.573 0.902 0.627 CB 1.650 103 residues pruned to eliminate duplicates Z: 99 80.267 2.327 1.144 0.581 0.898 0.622 CB 1.675 99 residues pruned to eliminate duplicates Z: 82 77.462 2.339 0.994 0.645 0.938 0.691 CB 1.717 82 residues pruned to eliminate duplicates Z: 101 76.326 2.303 1.074 0.579 0.890 0.590 CB 1.664 96 residues pruned to eliminate duplicates Z: 15 29.365 2.231 1.230 0.681 0.857 0.571 CA 1.558 Z: 6 3.377 1.943 0.493 0.442 0.600 0.000 CB 0.921 6 residues pruned to eliminate duplicates Z: 12 19.002 2.094 0.714 0.868 0.909 0.364 CB 1.284 12 residues pruned to eliminate duplicates Z: 17 19.183 2.265 0.936 0.470 0.750 0.500 CB 1.504 17 residues pruned to eliminate duplicates Z: 87 76.868 2.317 1.042 0.587 0.930 0.709 CB 1.733 102 residues pruned to eliminate duplicates Z: 18 21.709 2.198 0.937 0.478 0.824 0.529 CB 1.536 Z: 15 32.701 2.105 0.956 0.818 1.000 0.643 CB 1.611 18 residues pruned to eliminate duplicates Z: 15 28.316 2.064 0.850 0.899 1.000 0.929 CB 1.417 15 residues pruned to eliminate duplicates Z: 19 26.411 2.165 0.970 0.615 0.889 0.667 CB 1.472 19 residues pruned to eliminate duplicates Z: 13 33.975 2.221 1.266 0.880 1.000 0.833 CB 1.412 13 residues pruned to eliminate duplicates Z: 15 32.228 2.071 1.071 0.898 1.000 0.786 CB 1.436 15 residues pruned to eliminate duplicates Z: 43 45.779 2.236 0.965 0.567 0.905 0.667 CB 1.665 28 residues pruned to eliminate duplicates Z: 15 31.794 2.115 1.053 0.828 0.929 0.929 CB 1.587 15 residues pruned to eliminate duplicates Z: 21 35.955 2.243 1.063 0.608 0.900 0.650 CA 1.742 21 residues pruned to eliminate duplicates Z: 11 23.401 2.277 1.279 0.643 0.800 0.500 CB 1.560 11 residues pruned to eliminate duplicates Z: 12 19.365 2.054 1.225 0.578 0.818 0.636 CB 1.449 12 residues pruned to eliminate duplicates Z: 12 19.503 2.184 0.938 0.597 0.818 0.545 CB 1.547 12 residues pruned to eliminate duplicates Z: 14 15.036 2.120 0.664 0.497 0.769 0.462 CB 1.541 14 residues pruned to eliminate duplicates Z: 11 18.585 2.185 0.934 0.620 0.800 0.600 CB 1.552 11 residues pruned to eliminate duplicates Z: 11 18.442 2.197 0.950 0.615 0.800 0.600 CB 1.526 11 residues pruned to eliminate duplicates Z: 11 20.382 2.204 1.088 0.622 0.800 0.600 CB 1.561 11 residues pruned to eliminate duplicates Z: 36 32.372 2.200 0.877 0.590 0.829 0.429 CB 1.467 36 residues pruned to eliminate duplicates Z: 20 20.530 2.140 0.899 0.516 0.842 0.368 CB 1.354 20 residues pruned to eliminate duplicates Z: 22 19.827 2.086 0.842 0.522 0.857 0.476 CB 1.286 22 residues pruned to eliminate duplicates Z: 30 34.900 2.100 1.137 0.580 0.897 0.345 CB 1.492 30 residues pruned to eliminate duplicates Z: 20 17.757 2.148 1.053 0.436 0.789 0.474 CB 1.250 20 residues pruned to eliminate duplicates Z: 12 7.187 2.041 0.732 0.244 0.727 0.364 CB 1.132 12 residues pruned to eliminate duplicates Z: 24 21.491 2.063 1.114 0.431 0.913 0.478 CB 1.209 24 residues pruned to eliminate duplicates Z: 9 8.464 1.973 0.851 0.302 0.750 0.250 CA 1.362 9 residues pruned to eliminate duplicates Z: 21 18.502 2.120 0.856 0.403 0.800 0.500 CA 1.455 21 residues pruned to eliminate duplicates Z: 13 9.806 1.985 0.946 0.233 0.667 0.333 CB 1.499 13 residues pruned to eliminate duplicates Z: 30 19.283 2.035 0.861 0.371 0.828 0.379 CB 1.312 30 residues pruned to eliminate duplicates Z: 14 9.130 2.055 0.978 0.299 0.615 0.308 CB 1.267 14 residues pruned to eliminate duplicates Z: 68 63.197 2.332 0.885 0.558 0.955 0.672 CB 1.739 68 residues pruned to eliminate duplicates Z: 70 68.670 2.327 1.032 0.559 0.957 0.638 CB 1.727 70 residues pruned to eliminate duplicates Z: 53 53.687 2.317 0.916 0.607 0.923 0.712 CA 1.640 53 residues pruned to eliminate duplicates Z: 68 60.124 2.265 0.954 0.555 0.940 0.687 CB 1.673 68 residues pruned to eliminate duplicates Z: 71 67.789 2.304 1.070 0.561 0.943 0.671 CB 1.697 71 residues pruned to eliminate duplicates Z: 63 65.583 2.305 1.024 0.590 0.984 0.677 CB 1.666 63 residues pruned to eliminate duplicates Z: 57 70.485 2.357 0.992 0.656 1.000 0.732 CA 1.736 57 residues pruned to eliminate duplicates Z: 65 65.646 2.338 0.949 0.578 0.969 0.688 CA 1.725 65 residues pruned to eliminate duplicates Z: 65 69.956 2.344 1.046 0.575 0.984 0.625 CB 1.723 65 residues pruned to eliminate duplicates Z: 63 64.903 2.312 1.009 0.573 0.984 0.677 CA 1.681 63 residues pruned to eliminate duplicates Z: 69 63.620 2.292 0.937 0.578 0.956 0.691 CB 1.687 69 residues pruned to eliminate duplicates Z: 57 70.508 2.371 1.041 0.632 0.982 0.661 CA 1.751 57 residues pruned to eliminate duplicates Z: 65 74.189 2.361 1.084 0.598 0.984 0.672 CA 1.744 65 residues pruned to eliminate duplicates Z: 63 67.682 2.363 1.069 0.593 0.919 0.661 CB 1.748 63 residues pruned to eliminate duplicates Z: 66 66.695 2.351 0.972 0.569 0.938 0.662 CA 1.778 66 residues pruned to eliminate duplicates Z: 61 73.405 2.377 1.098 0.608 0.967 0.683 CA 1.774 61 residues pruned to eliminate duplicates Z: 41 54.526 2.357 1.033 0.652 0.950 0.675 CA 1.644 41 residues pruned to eliminate duplicates Z: 65 70.160 2.339 1.076 0.584 0.969 0.750 CA 1.721 65 residues pruned to eliminate duplicates Z: 90 80.307 2.323 1.133 0.609 0.910 0.629 CB 1.702 90 residues pruned to eliminate duplicates Z: 67 73.793 2.330 1.166 0.583 0.955 0.682 CA 1.740 67 residues pruned to eliminate duplicates Z: 65 71.107 2.343 1.054 0.607 0.969 0.812 CB 1.723 65 residues pruned to eliminate duplicates Z: 65 68.450 2.306 1.080 0.569 0.969 0.688 CA 1.723 65 residues pruned to eliminate duplicates Z: 66 71.394 2.330 1.100 0.568 0.985 0.738 CA 1.721 66 residues pruned to eliminate duplicates Z: 56 68.045 2.347 0.962 0.649 0.964 0.709 CA 1.800 56 residues pruned to eliminate duplicates Z: 42 49.510 2.312 1.039 0.609 0.927 0.683 CA 1.596 42 residues pruned to eliminate duplicates Z: 64 67.491 2.324 1.018 0.581 0.968 0.683 CA 1.731 64 residues pruned to eliminate duplicates Z: 61 71.446 2.383 1.074 0.592 0.950 0.583 CA 1.800 61 residues pruned to eliminate duplicates Z: 63 70.084 2.361 1.057 0.595 0.952 0.694 CA 1.759 63 residues pruned to eliminate duplicates Z: 61 69.177 2.344 1.033 0.606 0.967 0.700 CA 1.752 61 residues pruned to eliminate duplicates Z: 60 67.059 2.373 0.982 0.609 0.983 0.644 CA 1.703 60 residues pruned to eliminate duplicates Z: 66 71.899 2.326 1.150 0.580 0.954 0.692 CA 1.731 66 residues pruned to eliminate duplicates Z: 61 66.660 2.325 1.044 0.580 0.950 0.517 CA 1.765 61 residues pruned to eliminate duplicates Z: 56 69.594 2.366 1.023 0.644 0.982 0.691 CA 1.746 56 residues pruned to eliminate duplicates Z: 64 71.080 2.348 1.069 0.579 0.968 0.683 CA 1.764 64 residues pruned to eliminate duplicates Z: 70 73.018 2.340 1.123 0.567 0.957 0.710 CB 1.734 70 residues pruned to eliminate duplicates Z: 65 70.900 2.346 1.035 0.604 0.969 0.703 CA 1.736 65 residues pruned to eliminate duplicates Z: 113 88.124 2.310 0.997 0.594 0.938 0.688 CB 1.760 113 residues pruned to eliminate duplicates Z: 55 69.158 2.331 1.051 0.646 1.000 0.667 CA 1.718 55 residues pruned to eliminate duplicates Z: 80 73.955 2.314 1.097 0.576 0.937 0.608 CB 1.701 80 residues pruned to eliminate duplicates Z: 73 64.373 2.280 1.035 0.541 0.931 0.625 CB 1.688 73 residues pruned to eliminate duplicates Z: 66 69.340 2.294 1.105 0.599 0.938 0.723 CB 1.726 66 residues pruned to eliminate duplicates Z: 75 64.764 2.298 1.074 0.517 0.919 0.635 CB 1.690 75 residues pruned to eliminate duplicates Z: 71 71.283 2.335 1.049 0.558 0.957 0.614 CA 1.758 71 residues pruned to eliminate duplicates Z: 65 73.358 2.358 1.100 0.586 0.953 0.562 CA 1.788 65 residues pruned to eliminate duplicates Z: 57 76.043 2.381 1.092 0.645 1.000 0.696 CB 1.781 57 residues pruned to eliminate duplicates Z: 63 66.291 2.315 1.077 0.569 0.935 0.710 CA 1.751 63 residues pruned to eliminate duplicates Z: 34 40.590 2.257 0.797 0.532 0.970 0.667 CB 1.741 34 residues pruned to eliminate duplicates Z: 65 72.515 2.341 1.134 0.597 0.953 0.672 CA 1.736 65 residues pruned to eliminate duplicates Z: 64 68.678 2.355 1.017 0.587 0.968 0.683 CA 1.730 64 residues pruned to eliminate duplicates Z: 56 68.704 2.380 1.141 0.602 0.964 0.727 CA 1.712 56 residues pruned to eliminate duplicates Z: 61 61.836 2.314 0.960 0.592 0.967 0.650 CB 1.666 61 residues pruned to eliminate duplicates Z: 50 68.174 2.359 1.094 0.634 0.980 0.592 CA 1.774 50 residues pruned to eliminate duplicates Z: 110 95.316 2.357 0.976 0.627 0.954 0.706 CA 1.822 110 residues pruned to eliminate duplicates Z: 63 61.012 2.273 0.815 0.601 0.968 0.726 CB 1.762 63 residues pruned to eliminate duplicates Z: 63 60.112 2.281 0.847 0.586 0.952 0.710 CB 1.754 63 residues pruned to eliminate duplicates Z: 40 42.463 2.204 0.817 0.592 0.949 0.718 CB 1.639 40 residues pruned to eliminate duplicates Z: 63 59.573 2.286 0.822 0.595 0.968 0.677 CB 1.714 63 residues pruned to eliminate duplicates Z: 66 56.743 2.265 0.688 0.600 0.954 0.723 CB 1.754 66 residues pruned to eliminate duplicates Z: 64 59.615 2.288 0.748 0.595 0.984 0.730 CB 1.743 64 residues pruned to eliminate duplicates Z: 129 88.549 2.298 0.945 0.582 0.945 0.688 CB 1.712 129 residues pruned to eliminate duplicates Z: 62 61.181 2.298 0.840 0.584 0.967 0.672 CB 1.767 62 residues pruned to eliminate duplicates Z: 123 85.387 2.299 0.922 0.584 0.959 0.713 CB 1.683 123 residues pruned to eliminate duplicates Z: 121 94.277 2.319 0.992 0.603 0.958 0.733 CA 1.763 121 residues pruned to eliminate duplicates Z: 65 55.872 2.215 0.733 0.606 0.953 0.719 CB 1.725 65 residues pruned to eliminate duplicates Z: 63 59.605 2.296 0.825 0.575 0.968 0.677 CB 1.737 63 residues pruned to eliminate duplicates Z: 66 57.565 2.258 0.858 0.568 0.954 0.662 CB 1.670 66 residues pruned to eliminate duplicates Z: 120 82.490 2.311 0.846 0.590 0.933 0.630 CA 1.743 120 residues pruned to eliminate duplicates Z: 64 47.403 2.247 0.633 0.557 0.921 0.651 CB 1.673 64 residues pruned to eliminate duplicates Z: 67 59.218 2.270 0.875 0.554 0.939 0.667 CB 1.730 67 residues pruned to eliminate duplicates Z: 64 56.197 2.278 0.754 0.583 0.952 0.683 CB 1.718 64 residues pruned to eliminate duplicates Z: 64 62.478 2.276 0.867 0.595 0.984 0.698 CB 1.720 64 residues pruned to eliminate duplicates Z: 64 63.967 2.300 0.871 0.596 0.984 0.683 CB 1.737 64 residues pruned to eliminate duplicates Z: 60 63.003 2.297 0.846 0.639 0.966 0.746 CB 1.758 60 residues pruned to eliminate duplicates Z: 68 57.024 2.238 0.861 0.560 0.955 0.567 CB 1.652 68 residues pruned to eliminate duplicates Z: 49 49.489 2.196 0.743 0.627 0.979 0.604 CB 1.690 49 residues pruned to eliminate duplicates Z: 124 92.824 2.291 1.068 0.583 0.951 0.626 CA 1.715 124 residues pruned to eliminate duplicates Z: 65 59.688 2.288 0.863 0.580 0.922 0.672 CB 1.757 65 residues pruned to eliminate duplicates Z: 60 48.134 2.160 0.764 0.547 0.966 0.678 CB 1.626 60 residues pruned to eliminate duplicates Z: 123 84.637 2.290 0.911 0.573 0.934 0.656 CB 1.746 123 residues pruned to eliminate duplicates Z: 65 56.583 2.250 0.770 0.587 0.969 0.688 CB 1.687 65 residues pruned to eliminate duplicates Z: 64 59.687 2.268 0.934 0.567 0.921 0.619 CB 1.745 64 residues pruned to eliminate duplicates Z: 61 63.379 2.301 0.852 0.614 0.967 0.717 CB 1.783 61 residues pruned to eliminate duplicates Z: 65 62.249 2.277 0.822 0.584 0.984 0.656 CB 1.757 65 residues pruned to eliminate duplicates Z: 66 60.394 2.269 0.906 0.563 0.938 0.662 CB 1.736 66 residues pruned to eliminate duplicates Z: 62 62.593 2.304 0.914 0.586 0.951 0.705 CB 1.760 62 residues pruned to eliminate duplicates Z: 62 62.572 2.276 0.901 0.586 0.967 0.770 CB 1.762 62 residues pruned to eliminate duplicates Z: 113 91.792 2.315 0.964 0.611 0.964 0.652 CA 1.780 113 residues pruned to eliminate duplicates Z: 62 58.240 2.243 0.843 0.601 0.951 0.689 CB 1.723 62 residues pruned to eliminate duplicates Z: 64 63.295 2.280 0.893 0.581 0.968 0.730 CB 1.764 64 residues pruned to eliminate duplicates Z: 64 59.760 2.279 0.926 0.569 0.937 0.698 CB 1.713 64 residues pruned to eliminate duplicates Z: 64 62.797 2.248 0.916 0.598 0.968 0.698 CB 1.729 64 residues pruned to eliminate duplicates Z: 63 62.032 2.278 0.880 0.585 0.968 0.661 CB 1.752 63 residues pruned to eliminate duplicates Z: 63 60.236 2.283 0.790 0.596 0.968 0.677 CB 1.765 63 residues pruned to eliminate duplicates Z: 66 61.153 2.268 0.841 0.581 0.985 0.723 CB 1.707 66 residues pruned to eliminate duplicates Z: 63 66.668 2.296 0.971 0.602 0.968 0.742 CB 1.755 63 residues pruned to eliminate duplicates Z: 62 62.578 2.244 0.937 0.604 0.934 0.689 CA 1.786 62 residues pruned to eliminate duplicates Z: 64 63.142 2.283 0.936 0.600 0.968 0.746 CB 1.690 64 residues pruned to eliminate duplicates Z: 59 62.277 2.289 0.846 0.637 0.948 0.655 CA 1.794 59 residues pruned to eliminate duplicates Z: 66 59.285 2.279 0.826 0.585 0.954 0.738 CB 1.707 66 residues pruned to eliminate duplicates Z: 119 90.378 2.327 1.005 0.582 0.932 0.686 CB 1.768 119 residues pruned to eliminate duplicates Z: 65 60.469 2.260 0.851 0.584 0.953 0.688 CB 1.748 65 residues pruned to eliminate duplicates Z: 64 63.877 2.252 0.928 0.589 0.968 0.683 CB 1.758 64 residues pruned to eliminate duplicates Z: 67 59.331 2.246 0.821 0.577 0.970 0.636 CB 1.710 67 residues pruned to eliminate duplicates Z: 65 59.306 2.250 0.822 0.582 0.969 0.750 CB 1.726 65 residues pruned to eliminate duplicates Z: 65 66.452 2.277 0.980 0.592 0.969 0.609 CB 1.743 65 residues pruned to eliminate duplicates Z: 66 61.388 2.283 0.891 0.581 0.969 0.708 CB 1.683 66 residues pruned to eliminate duplicates Z: 110 90.208 2.328 0.949 0.614 0.963 0.706 CB 1.774 110 residues pruned to eliminate duplicates Z: 63 57.801 2.270 0.836 0.572 0.935 0.645 CB 1.757 63 residues pruned to eliminate duplicates Z: 60 64.238 2.320 0.875 0.627 0.966 0.729 CB 1.765 60 residues pruned to eliminate duplicates 454 residues left after pruning, divided into chains as follows: A: 6 B: 34 C: 38 D: 119 E: 98 F: 42 G: 110 H: 7 CC for partial structure against native data = 36.78 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.443, Connect. = 0.717 for dens.mod. cycle 1 = 0.300, Contrast = 0.516, Connect. = 0.748 for dens.mod. cycle 2 = 0.300, Contrast = 0.609, Connect. = 0.780 for dens.mod. cycle 3 = 0.300, Contrast = 0.616, Connect. = 0.785 for dens.mod. cycle 4 = 0.300, Contrast = 0.626, Connect. = 0.789 for dens.mod. cycle 5 = 0.300, Contrast = 0.629, Connect. = 0.791 for dens.mod. cycle 6 = 0.300, Contrast = 0.632, Connect. = 0.793 for dens.mod. cycle 7 = 0.300, Contrast = 0.633, Connect. = 0.794 for dens.mod. cycle 8 = 0.300, Contrast = 0.634, Connect. = 0.795 for dens.mod. cycle 9 = 0.300, Contrast = 0.634, Connect. = 0.796 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4378 peaks > 0.5 sigma used to seed fragment search Space for about 746 unique residues taking solvent into account 865 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 64 61.164 2.308 0.767 0.589 0.984 0.762 CB 1.763 B: 82 58.128 2.193 0.880 0.566 0.926 0.605 CB 1.587 C: 87 79.211 2.325 1.097 0.618 0.930 0.628 CB 1.685 D: 35 44.060 2.201 0.984 0.693 0.882 0.676 CB 1.644 E: 59 55.637 2.264 0.713 0.627 0.966 0.707 CB 1.731 59 residues pruned to eliminate duplicates F: 58 68.069 2.346 0.977 0.641 0.982 0.719 CB 1.735 G: 55 60.944 2.333 0.918 0.631 0.963 0.722 CB 1.702 55 residues pruned to eliminate duplicates H: 64 57.997 2.304 0.767 0.573 0.952 0.698 CB 1.757 64 residues pruned to eliminate duplicates I: 15 29.438 2.160 0.572 0.937 1.000 0.643 CA 1.613 15 residues pruned to eliminate duplicates J: 12 21.886 1.845 1.278 0.674 0.909 0.818 C 1.471 12 residues pruned to eliminate duplicates K: 62 56.306 2.223 0.755 0.620 0.984 0.705 CB 1.677 62 residues pruned to eliminate duplicates L: 16 33.421 2.315 0.824 0.745 0.933 0.667 CA 1.759 16 residues pruned to eliminate duplicates M: 17 17.379 2.185 0.419 0.716 0.750 0.562 CB 1.537 17 residues pruned to eliminate duplicates N: 66 59.495 2.229 0.876 0.601 0.969 0.677 CB 1.654 66 residues pruned to eliminate duplicates O: 64 54.581 2.230 0.796 0.578 0.952 0.683 CB 1.673 64 residues pruned to eliminate duplicates P: 6 14.241 2.105 0.426 0.845 1.000 0.800 CA 1.578 6 residues pruned to eliminate duplicates Q: 17 28.016 2.118 1.203 0.520 0.875 0.688 CB 1.682 17 residues pruned to eliminate duplicates R: 15 28.059 2.134 0.549 0.931 1.000 0.857 CB 1.585 15 residues pruned to eliminate duplicates S: 66 58.019 2.263 0.854 0.583 0.938 0.708 CB 1.689 66 residues pruned to eliminate duplicates T: 120 87.658 2.309 0.929 0.589 0.950 0.714 CB 1.744 140 residues pruned to eliminate duplicates U: 21 30.468 2.205 1.155 0.545 0.850 0.600 CB 1.615 21 residues pruned to eliminate duplicates V: 35 41.163 2.140 1.198 0.593 0.941 0.529 CB 1.459 35 residues pruned to eliminate duplicates W: 15 38.799 2.158 1.226 0.892 1.000 0.857 CB 1.552 15 residues pruned to eliminate duplicates X: 16 27.972 1.930 1.012 0.854 1.000 0.800 CB 1.374 Y: 14 28.193 2.062 0.799 0.844 1.000 0.615 CB 1.568 14 residues pruned to eliminate duplicates Z: 24 27.089 1.925 0.830 0.817 0.913 0.565 CB 1.334 Z: 15 31.047 2.008 1.106 0.896 1.000 0.786 CA 1.405 15 residues pruned to eliminate duplicates Z: 14 22.126 2.143 0.266 0.942 1.000 0.846 CA 1.568 14 residues pruned to eliminate duplicates Z: 14 28.476 2.095 1.226 0.627 0.923 0.692 CA 1.627 Z: 16 18.903 2.090 0.105 0.922 1.000 0.933 CA 1.487 16 residues pruned to eliminate duplicates Z: 11 33.581 2.117 1.602 0.785 0.900 0.900 CB 1.667 11 residues pruned to eliminate duplicates Z: 66 53.833 2.259 0.713 0.566 0.938 0.692 CB 1.726 66 residues pruned to eliminate duplicates Z: 67 59.105 2.297 0.870 0.566 0.939 0.712 CB 1.690 67 residues pruned to eliminate duplicates Z: 68 59.642 2.229 0.870 0.594 0.955 0.731 CB 1.673 68 residues pruned to eliminate duplicates Z: 67 61.540 2.256 1.029 0.573 0.939 0.697 CB 1.641 67 residues pruned to eliminate duplicates Z: 70 58.100 2.222 1.019 0.563 0.957 0.652 CB 1.533 70 residues pruned to eliminate duplicates Z: 59 51.673 2.236 0.752 0.624 0.966 0.828 CB 1.597 Z: 57 56.048 2.249 0.846 0.630 0.982 0.732 CB 1.626 57 residues pruned to eliminate duplicates Z: 27 48.513 2.222 1.219 0.757 0.885 0.423 CB 1.736 25 residues pruned to eliminate duplicates Z: 62 57.694 2.231 0.878 0.630 0.967 0.836 CB 1.613 60 residues pruned to eliminate duplicates Z: 16 19.584 2.125 0.102 0.907 1.000 0.933 CA 1.534 16 residues pruned to eliminate duplicates Z: 14 34.994 2.263 1.032 0.850 1.000 0.846 CB 1.563 14 residues pruned to eliminate duplicates Z: 14 30.025 2.095 0.850 0.902 0.923 0.769 CA 1.660 14 residues pruned to eliminate duplicates Z: 57 70.155 2.372 1.034 0.643 0.964 0.714 CA 1.764 58 residues pruned to eliminate duplicates Z: 16 24.370 2.104 0.402 0.913 1.000 0.800 CA 1.509 16 residues pruned to eliminate duplicates Z: 63 63.906 2.292 1.021 0.586 0.952 0.613 CB 1.696 65 residues pruned to eliminate duplicates Z: 8 16.759 2.135 0.558 0.777 0.857 0.714 CB 1.740 8 residues pruned to eliminate duplicates Z: 62 64.005 2.304 0.874 0.606 0.951 0.770 CB 1.805 63 residues pruned to eliminate duplicates Z: 7 11.572 2.091 0.475 0.732 0.833 0.500 CA 1.493 7 residues pruned to eliminate duplicates Z: 63 61.893 2.306 0.950 0.601 0.968 0.742 CB 1.641 63 residues pruned to eliminate duplicates Z: 43 40.173 2.073 0.966 0.608 0.905 0.619 CB 1.517 39 residues pruned to eliminate duplicates Z: 64 61.970 2.326 0.895 0.597 0.968 0.794 CB 1.667 62 residues pruned to eliminate duplicates Z: 60 55.384 2.271 0.809 0.636 0.949 0.797 CB 1.628 60 residues pruned to eliminate duplicates Z: 14 30.053 2.131 0.822 0.875 1.000 0.846 CB 1.561 14 residues pruned to eliminate duplicates Z: 14 34.006 2.162 0.943 0.904 1.000 0.846 CB 1.599 16 residues pruned to eliminate duplicates Z: 69 61.223 2.271 0.894 0.578 0.941 0.662 CB 1.702 68 residues pruned to eliminate duplicates Z: 16 30.865 2.105 0.920 0.902 0.933 0.867 CB 1.507 16 residues pruned to eliminate duplicates Z: 69 63.618 2.315 0.967 0.581 0.956 0.647 CB 1.639 60 residues pruned to eliminate duplicates Z: 17 27.698 2.270 0.662 0.771 0.875 0.562 CB 1.651 17 residues pruned to eliminate duplicates Z: 16 19.354 2.049 0.496 0.758 0.867 0.600 CA 1.495 16 residues pruned to eliminate duplicates Z: 15 39.546 2.200 1.131 0.902 1.000 0.857 CB 1.607 15 residues pruned to eliminate duplicates Z: 10 20.187 2.280 0.641 0.753 0.889 0.333 CB 1.616 10 residues pruned to eliminate duplicates Z: 55 59.425 2.245 0.965 0.674 0.981 0.815 CB 1.591 55 residues pruned to eliminate duplicates Z: 25 26.528 1.934 0.714 0.788 0.917 0.792 CB 1.384 25 residues pruned to eliminate duplicates Z: 65 61.277 2.299 0.885 0.607 0.969 0.750 CB 1.648 65 residues pruned to eliminate duplicates Z: 11 27.934 2.306 0.748 0.845 1.000 0.600 CB 1.629 11 residues pruned to eliminate duplicates Z: 16 28.718 2.268 0.685 0.752 0.933 0.533 CA 1.661 16 residues pruned to eliminate duplicates Z: 15 19.090 2.104 0.158 0.904 1.000 0.857 CA 1.491 15 residues pruned to eliminate duplicates Z: 60 59.670 2.257 0.840 0.632 0.983 0.763 CB 1.681 60 residues pruned to eliminate duplicates Z: 15 36.639 2.086 0.942 0.906 1.000 0.929 CA 1.720 15 residues pruned to eliminate duplicates Z: 69 56.843 2.221 0.784 0.575 0.956 0.721 CB 1.693 69 residues pruned to eliminate duplicates Z: 65 59.980 2.256 0.944 0.602 0.969 0.781 CB 1.601 62 residues pruned to eliminate duplicates Z: 15 26.737 2.203 0.415 0.912 1.000 0.929 CA 1.623 15 residues pruned to eliminate duplicates Z: 68 64.407 2.313 0.999 0.593 0.940 0.716 CB 1.656 64 residues pruned to eliminate duplicates Z: 13 30.812 2.168 0.880 0.897 1.000 0.750 CA 1.562 13 residues pruned to eliminate duplicates Z: 60 57.860 2.224 0.965 0.634 0.966 0.763 CB 1.574 60 residues pruned to eliminate duplicates Z: 16 17.053 1.990 0.289 0.831 0.933 0.667 CB 1.382 16 residues pruned to eliminate duplicates Z: 8 18.209 2.058 0.797 0.895 1.000 1.000 CA 1.334 Z: 16 26.490 2.241 0.687 0.773 0.867 0.600 CB 1.640 16 residues pruned to eliminate duplicates Z: 9 13.616 2.228 0.600 0.838 0.625 0.625 CA 1.615 9 residues pruned to eliminate duplicates Z: 55 54.360 2.278 0.934 0.603 0.907 0.722 CA 1.678 68 residues pruned to eliminate duplicates Z: 16 23.607 2.130 0.406 0.841 1.000 0.600 CB 1.517 16 residues pruned to eliminate duplicates Z: 60 62.345 2.259 0.986 0.635 0.983 0.763 CB 1.622 60 residues pruned to eliminate duplicates Z: 59 56.813 2.284 0.716 0.621 1.000 0.724 CB 1.698 59 residues pruned to eliminate duplicates Z: 15 30.320 2.186 0.577 0.942 1.000 0.857 CA 1.630 15 residues pruned to eliminate duplicates Z: 123 91.954 2.322 0.930 0.606 0.959 0.730 CB 1.751 64 residues pruned to eliminate duplicates Z: 14 35.691 2.172 0.900 0.890 1.000 0.846 CB 1.726 14 residues pruned to eliminate duplicates Z: 14 32.562 2.137 0.783 0.917 1.000 1.000 CA 1.672 14 residues pruned to eliminate duplicates Z: 27 45.124 2.161 1.140 0.748 0.962 0.654 CB 1.595 27 residues pruned to eliminate duplicates Z: 62 65.463 2.300 0.907 0.621 0.967 0.705 CB 1.763 62 residues pruned to eliminate duplicates Z: 13 28.480 2.442 0.503 0.815 1.000 0.500 CB 1.703 13 residues pruned to eliminate duplicates Z: 65 64.356 2.324 0.933 0.598 0.969 0.766 CB 1.684 65 residues pruned to eliminate duplicates Z: 28 38.432 2.122 1.079 0.713 0.926 0.630 CB 1.493 28 residues pruned to eliminate duplicates Z: 92 79.202 2.279 1.107 0.610 0.923 0.593 CB 1.687 92 residues pruned to eliminate duplicates Z: 63 59.748 2.275 0.807 0.588 0.952 0.645 CB 1.784 63 residues pruned to eliminate duplicates Z: 56 53.466 2.268 0.790 0.599 0.982 0.636 CB 1.645 56 residues pruned to eliminate duplicates Z: 14 30.359 2.254 0.626 0.927 1.000 0.846 CB 1.609 14 residues pruned to eliminate duplicates Z: 61 57.660 2.273 0.641 0.636 0.983 0.717 CB 1.786 61 residues pruned to eliminate duplicates Z: 33 27.888 2.047 0.960 0.489 0.875 0.594 CB 1.419 33 residues pruned to eliminate duplicates Z: 15 34.991 2.105 1.102 0.889 1.000 0.786 CB 1.522 15 residues pruned to eliminate duplicates Z: 11 27.239 2.296 0.680 0.818 1.000 0.400 CB 1.694 11 residues pruned to eliminate duplicates Z: 66 60.046 2.258 0.843 0.586 0.985 0.646 CB 1.674 67 residues pruned to eliminate duplicates Z: 122 86.850 2.307 0.895 0.588 0.959 0.727 CB 1.731 122 residues pruned to eliminate duplicates Z: 15 23.045 1.959 0.704 0.869 0.929 0.786 CA 1.452 15 residues pruned to eliminate duplicates Z: 42 30.833 1.979 0.835 0.482 0.878 0.634 CB 1.537 42 residues pruned to eliminate duplicates Z: 15 23.641 2.145 0.400 0.939 1.000 0.929 CB 1.462 15 residues pruned to eliminate duplicates Z: 12 20.475 2.142 0.561 0.857 0.818 0.636 CA 1.663 12 residues pruned to eliminate duplicates Z: 11 31.839 2.218 1.241 0.748 1.000 0.900 CB 1.623 Z: 31 40.034 2.257 1.148 0.592 0.867 0.567 CB 1.593 31 residues pruned to eliminate duplicates Z: 28 44.387 2.192 1.294 0.722 0.815 0.667 CA 1.706 28 residues pruned to eliminate duplicates Z: 17 26.952 2.178 0.597 0.856 1.000 0.750 CA 1.428 17 residues pruned to eliminate duplicates Z: 60 55.716 2.292 0.701 0.597 0.949 0.695 CB 1.787 60 residues pruned to eliminate duplicates Z: 33 36.552 2.036 1.099 0.634 0.875 0.562 CB 1.524 34 residues pruned to eliminate duplicates Z: 16 23.970 2.203 0.521 0.769 1.000 0.600 CA 1.456 16 residues pruned to eliminate duplicates Z: 61 59.099 2.244 0.951 0.621 0.933 0.700 CB 1.666 61 residues pruned to eliminate duplicates Z: 64 56.812 2.293 0.774 0.577 0.921 0.651 CB 1.775 64 residues pruned to eliminate duplicates Z: 14 24.709 2.030 0.690 0.887 1.000 0.538 CB 1.440 14 residues pruned to eliminate duplicates Z: 70 54.149 2.220 0.846 0.563 0.942 0.667 CB 1.589 66 residues pruned to eliminate duplicates Z: 44 31.067 2.013 0.748 0.581 0.907 0.512 CB 1.373 10 residues pruned to eliminate duplicates Z: 12 32.352 2.268 1.353 0.814 0.909 0.909 CB 1.530 13 residues pruned to eliminate duplicates Z: 15 34.773 2.080 0.942 0.884 1.000 0.857 CA 1.663 15 residues pruned to eliminate duplicates Z: 15 35.069 2.059 1.016 0.896 1.000 0.786 CA 1.618 15 residues pruned to eliminate duplicates Z: 35 34.681 2.059 1.092 0.711 0.824 0.588 CB 1.385 35 residues pruned to eliminate duplicates Z: 16 23.641 2.077 0.403 0.941 1.000 0.933 CA 1.453 16 residues pruned to eliminate duplicates Z: 54 53.949 2.305 0.941 0.600 0.925 0.679 CB 1.629 54 residues pruned to eliminate duplicates Z: 15 22.031 2.102 0.390 0.926 1.000 0.929 CB 1.413 15 residues pruned to eliminate duplicates Z: 12 14.239 1.885 0.610 0.771 0.909 0.455 CB 1.225 12 residues pruned to eliminate duplicates Z: 16 27.829 2.098 0.613 0.915 1.000 0.867 CB 1.501 16 residues pruned to eliminate duplicates Z: 15 28.881 1.974 1.207 0.687 0.857 0.643 CA 1.742 15 residues pruned to eliminate duplicates Z: 15 25.994 2.024 1.098 0.786 0.929 0.786 CA 1.370 15 residues pruned to eliminate duplicates Z: 34 38.130 2.068 1.086 0.608 0.909 0.606 CB 1.527 33 residues pruned to eliminate duplicates Z: 31 39.598 2.254 0.993 0.612 0.867 0.467 CB 1.671 31 residues pruned to eliminate duplicates Z: 15 22.116 2.171 0.353 0.914 0.929 0.857 CB 1.532 15 residues pruned to eliminate duplicates Z: 29 27.914 2.057 0.911 0.577 0.821 0.607 CB 1.517 29 residues pruned to eliminate duplicates Z: 22 26.352 1.998 0.887 0.848 0.857 0.667 CB 1.320 11 residues pruned to eliminate duplicates Z: 15 28.549 2.169 0.627 0.931 0.929 0.643 CB 1.628 15 residues pruned to eliminate duplicates Z: 11 24.701 2.312 0.430 0.854 1.000 0.700 CB 1.745 11 residues pruned to eliminate duplicates Z: 37 48.223 2.282 1.182 0.607 0.972 0.750 CA 1.499 37 residues pruned to eliminate duplicates Z: 66 61.392 2.298 0.962 0.578 0.954 0.631 CB 1.642 66 residues pruned to eliminate duplicates Z: 17 28.118 2.174 0.632 0.813 1.000 0.625 CA 1.509 17 residues pruned to eliminate duplicates Z: 15 31.027 2.027 1.037 0.889 1.000 0.786 CB 1.446 15 residues pruned to eliminate duplicates Z: 15 28.111 2.102 1.005 0.829 0.929 0.857 CB 1.444 15 residues pruned to eliminate duplicates Z: 14 34.407 2.138 0.941 0.892 1.000 0.769 CB 1.652 14 residues pruned to eliminate duplicates Z: 13 15.625 2.052 0.156 0.835 0.917 0.667 CA 1.555 13 residues pruned to eliminate duplicates Z: 16 24.475 2.099 0.489 0.902 1.000 0.867 CB 1.442 16 residues pruned to eliminate duplicates Z: 61 55.927 2.260 0.832 0.620 0.967 0.783 CB 1.611 61 residues pruned to eliminate duplicates Z: 21 27.237 2.079 0.695 0.796 0.900 0.900 CB 1.481 29 residues pruned to eliminate duplicates Z: 17 34.679 2.198 0.966 0.859 1.000 0.750 CA 1.476 17 residues pruned to eliminate duplicates Z: 65 63.507 2.312 0.864 0.596 0.969 0.703 CB 1.734 65 residues pruned to eliminate duplicates Z: 56 64.391 2.295 0.976 0.657 0.982 0.782 CB 1.685 56 residues pruned to eliminate duplicates Z: 15 22.768 2.202 0.645 0.785 0.786 0.571 CB 1.665 15 residues pruned to eliminate duplicates Z: 12 27.117 2.022 1.313 0.738 0.909 0.909 CB 1.554 12 residues pruned to eliminate duplicates Z: 16 30.892 2.261 0.758 0.913 1.000 0.933 CA 1.421 16 residues pruned to eliminate duplicates Z: 66 59.629 2.211 0.958 0.608 0.985 0.785 CB 1.566 66 residues pruned to eliminate duplicates Z: 14 30.041 2.178 1.137 0.889 0.923 0.923 CB 1.397 14 residues pruned to eliminate duplicates Z: 58 63.175 2.324 0.858 0.651 0.982 0.807 CB 1.714 58 residues pruned to eliminate duplicates Z: 17 21.744 2.111 0.580 0.787 0.938 0.625 CA 1.351 17 residues pruned to eliminate duplicates Z: 15 32.068 2.032 1.037 0.908 1.000 0.714 CB 1.471 15 residues pruned to eliminate duplicates Z: 106 77.455 2.274 0.881 0.595 0.943 0.667 CB 1.712 64 residues pruned to eliminate duplicates Z: 39 38.384 2.115 0.969 0.652 0.895 0.632 CB 1.451 39 residues pruned to eliminate duplicates Z: 10 19.643 1.884 0.829 0.864 1.000 0.667 CB 1.393 10 residues pruned to eliminate duplicates Z: 20 13.888 1.819 0.698 0.467 0.789 0.421 CB 1.352 20 residues pruned to eliminate duplicates Z: 13 34.192 2.194 1.196 0.928 1.000 0.917 CB 1.435 13 residues pruned to eliminate duplicates Z: 16 20.984 1.993 0.472 0.884 1.000 0.933 CB 1.335 16 residues pruned to eliminate duplicates Z: 15 25.275 2.038 0.498 0.850 1.000 0.429 CA 1.638 15 residues pruned to eliminate duplicates Z: 65 65.634 2.342 0.961 0.591 0.953 0.688 CB 1.717 45 residues pruned to eliminate duplicates Z: 40 40.630 2.157 1.019 0.620 0.821 0.487 CB 1.626 40 residues pruned to eliminate duplicates Z: 12 24.581 1.961 1.136 0.758 0.909 0.727 CB 1.546 12 residues pruned to eliminate duplicates Z: 11 19.329 2.045 0.632 0.765 1.000 0.700 CB 1.448 11 residues pruned to eliminate duplicates Z: 18 26.743 2.061 0.986 0.539 1.000 0.765 CB 1.525 18 residues pruned to eliminate duplicates Z: 61 66.110 2.299 1.058 0.608 0.950 0.717 CB 1.713 61 residues pruned to eliminate duplicates Z: 14 28.081 2.103 0.785 0.844 1.000 0.692 CB 1.544 14 residues pruned to eliminate duplicates Z: 45 45.699 2.214 0.824 0.641 0.955 0.864 CB 1.567 45 residues pruned to eliminate duplicates Z: 57 68.076 2.317 1.066 0.650 0.964 0.750 CB 1.714 57 residues pruned to eliminate duplicates Z: 9 18.517 2.243 0.561 0.772 0.875 0.500 CA 1.681 9 residues pruned to eliminate duplicates Z: 13 24.402 2.145 0.811 0.664 1.000 0.750 CA 1.558 13 residues pruned to eliminate duplicates Z: 129 89.455 2.295 0.897 0.614 0.969 0.727 CB 1.683 129 residues pruned to eliminate duplicates Z: 124 72.770 2.263 0.840 0.582 0.911 0.683 CB 1.599 124 residues pruned to eliminate duplicates Z: 65 54.881 2.200 0.930 0.609 0.969 0.703 CB 1.504 65 residues pruned to eliminate duplicates Z: 28 38.527 2.212 1.143 0.657 0.889 0.593 CB 1.520 28 residues pruned to eliminate duplicates Z: 12 33.147 2.337 1.183 0.878 0.909 0.636 CB 1.564 12 residues pruned to eliminate duplicates Z: 71 52.529 2.155 0.834 0.578 0.957 0.657 CB 1.540 71 residues pruned to eliminate duplicates Z: 23 32.314 2.046 0.823 0.841 0.955 0.591 CB 1.443 23 residues pruned to eliminate duplicates Z: 18 19.941 1.890 0.858 0.528 0.882 0.647 CB 1.517 13 residues pruned to eliminate duplicates Z: 16 27.755 2.230 0.787 0.732 0.933 0.600 CA 1.564 16 residues pruned to eliminate duplicates Z: 16 36.348 2.239 1.178 0.875 1.000 0.733 CA 1.400 16 residues pruned to eliminate duplicates Z: 17 24.753 2.168 0.524 0.774 0.938 0.625 CA 1.569 17 residues pruned to eliminate duplicates Z: 16 25.721 1.984 0.617 0.890 1.000 0.867 CB 1.490 16 residues pruned to eliminate duplicates Z: 16 31.970 2.240 1.046 0.888 0.933 0.733 CA 1.390 16 residues pruned to eliminate duplicates Z: 72 60.032 2.257 0.965 0.586 0.901 0.676 CB 1.641 72 residues pruned to eliminate duplicates Z: 63 64.970 2.306 1.018 0.610 0.919 0.726 CB 1.737 63 residues pruned to eliminate duplicates Z: 12 17.259 1.768 0.601 0.866 1.000 0.636 CB 1.346 12 residues pruned to eliminate duplicates Z: 29 28.378 2.096 0.895 0.572 0.857 0.536 CB 1.469 17 residues pruned to eliminate duplicates Z: 14 33.390 2.197 0.858 0.943 1.000 0.692 CB 1.572 14 residues pruned to eliminate duplicates Z: 11 13.064 1.995 0.243 0.880 0.800 0.700 CA 1.508 11 residues pruned to eliminate duplicates Z: 15 31.100 2.182 0.687 0.928 1.000 0.929 CB 1.582 15 residues pruned to eliminate duplicates Z: 44 51.276 2.278 0.958 0.646 0.907 0.605 CA 1.686 44 residues pruned to eliminate duplicates Z: 15 21.329 2.369 0.862 0.419 0.857 0.571 CB 1.641 15 residues pruned to eliminate duplicates Z: 14 38.315 2.312 1.042 0.925 1.000 0.692 CA 1.579 14 residues pruned to eliminate duplicates Z: 65 67.527 2.320 1.024 0.603 0.953 0.703 CB 1.711 65 residues pruned to eliminate duplicates Z: 43 40.066 2.149 1.071 0.586 0.833 0.595 CB 1.535 42 residues pruned to eliminate duplicates Z: 15 26.085 2.204 0.639 0.728 0.929 0.429 CA 1.692 15 residues pruned to eliminate duplicates Z: 61 58.889 2.240 0.943 0.625 0.967 0.817 CB 1.607 61 residues pruned to eliminate duplicates Z: 16 13.815 2.070 0.976 0.304 0.733 0.333 CB 1.479 16 residues pruned to eliminate duplicates Z: 66 61.649 2.270 0.883 0.613 0.938 0.708 CB 1.713 66 residues pruned to eliminate duplicates Z: 51 56.922 2.316 1.027 0.610 0.920 0.680 CA 1.680 51 residues pruned to eliminate duplicates Z: 41 51.407 2.259 1.164 0.629 0.900 0.500 CB 1.637 41 residues pruned to eliminate duplicates Z: 15 23.438 2.294 0.570 0.770 0.929 0.500 CA 1.474 15 residues pruned to eliminate duplicates Z: 47 49.768 2.272 0.845 0.594 0.957 0.717 CB 1.672 47 residues pruned to eliminate duplicates Z: 66 60.347 2.278 0.870 0.592 0.938 0.723 CB 1.715 66 residues pruned to eliminate duplicates Z: 67 57.361 2.253 0.829 0.598 0.939 0.727 CB 1.661 67 residues pruned to eliminate duplicates Z: 11 23.238 2.097 1.420 0.715 0.800 0.700 CB 1.490 11 residues pruned to eliminate duplicates Z: 11 15.114 1.923 0.496 0.849 1.000 0.700 CB 1.231 11 residues pruned to eliminate duplicates Z: 60 65.759 2.261 0.969 0.635 1.000 0.678 CB 1.695 60 residues pruned to eliminate duplicates Z: 14 30.638 2.187 0.978 0.892 1.000 0.692 CB 1.411 14 residues pruned to eliminate duplicates Z: 7 6.671 1.774 0.090 0.818 0.833 0.667 CA 1.282 7 residues pruned to eliminate duplicates Z: 53 37.235 2.091 0.936 0.585 0.808 0.442 CB 1.456 34 residues pruned to eliminate duplicates Z: 11 16.730 1.913 0.603 0.852 1.000 0.700 CA 1.276 11 residues pruned to eliminate duplicates Z: 16 26.191 2.072 0.578 0.931 1.000 0.867 CB 1.445 16 residues pruned to eliminate duplicates Z: 13 15.717 2.044 0.478 0.794 0.833 0.417 CB 1.392 13 residues pruned to eliminate duplicates Z: 16 25.937 2.059 0.636 0.902 1.000 0.867 CA 1.418 16 residues pruned to eliminate duplicates Z: 14 18.018 2.191 0.389 0.747 0.846 0.615 CB 1.557 14 residues pruned to eliminate duplicates Z: 23 27.788 1.904 0.687 0.853 1.000 0.591 CB 1.364 23 residues pruned to eliminate duplicates Z: 14 30.264 2.164 1.113 0.879 1.000 0.769 CB 1.331 14 residues pruned to eliminate duplicates Z: 12 14.992 1.884 0.581 0.775 0.909 0.636 CB 1.309 12 residues pruned to eliminate duplicates Z: 14 35.759 2.126 0.990 0.857 1.000 0.769 CA 1.727 14 residues pruned to eliminate duplicates Z: 65 68.284 2.303 1.118 0.593 0.953 0.719 CA 1.681 65 residues pruned to eliminate duplicates Z: 14 36.295 2.125 1.199 0.901 1.000 0.692 CA 1.537 14 residues pruned to eliminate duplicates Z: 12 20.601 1.952 1.407 0.662 0.818 0.636 CB 1.390 12 residues pruned to eliminate duplicates Z: 56 54.576 2.255 0.751 0.647 0.964 0.709 CB 1.686 56 residues pruned to eliminate duplicates Z: 122 91.346 2.333 0.940 0.581 0.967 0.686 CB 1.755 102 residues pruned to eliminate duplicates Z: 43 55.314 2.259 1.095 0.659 0.952 0.643 CB 1.634 27 residues pruned to eliminate duplicates Z: 59 56.305 2.251 0.839 0.640 0.966 0.741 CB 1.622 22 residues pruned to eliminate duplicates Z: 14 29.635 2.133 0.760 0.899 1.000 1.000 CB 1.565 14 residues pruned to eliminate duplicates Z: 12 12.230 1.836 0.543 0.759 0.909 0.636 CB 1.138 12 residues pruned to eliminate duplicates Z: 34 46.621 2.197 1.017 0.715 0.939 0.545 CB 1.605 34 residues pruned to eliminate duplicates Z: 16 28.915 2.165 0.712 0.831 1.000 0.667 CA 1.513 16 residues pruned to eliminate duplicates Z: 17 17.422 1.950 0.454 0.755 0.875 0.562 CA 1.399 17 residues pruned to eliminate duplicates Z: 16 18.304 2.053 0.496 0.730 0.933 0.667 CB 1.341 16 residues pruned to eliminate duplicates Z: 16 31.099 2.114 0.827 0.935 1.000 0.933 CB 1.448 16 residues pruned to eliminate duplicates Z: 11 10.347 1.907 0.294 0.811 0.900 0.900 CB 1.124 11 residues pruned to eliminate duplicates Z: 16 26.823 2.069 0.673 0.849 0.933 0.667 CB 1.589 16 residues pruned to eliminate duplicates Z: 70 54.419 2.242 0.737 0.580 0.957 0.652 CB 1.628 70 residues pruned to eliminate duplicates Z: 43 52.185 2.300 1.030 0.623 0.929 0.833 CB 1.653 43 residues pruned to eliminate duplicates Z: 60 56.689 2.240 0.847 0.625 0.983 0.746 CB 1.613 60 residues pruned to eliminate duplicates Z: 12 17.398 1.954 0.729 0.841 0.909 0.636 CA 1.273 12 residues pruned to eliminate duplicates Z: 13 6.603 1.715 0.348 0.438 0.667 0.333 CA 1.319 13 residues pruned to eliminate duplicates Z: 10 16.219 1.885 0.447 0.844 1.000 0.778 CA 1.475 10 residues pruned to eliminate duplicates Z: 21 27.855 2.128 0.842 0.504 1.000 0.700 CB 1.582 21 residues pruned to eliminate duplicates Z: 65 58.616 2.263 0.864 0.617 0.922 0.734 CB 1.687 65 residues pruned to eliminate duplicates Z: 61 62.240 2.289 1.016 0.623 0.933 0.650 CB 1.661 61 residues pruned to eliminate duplicates Z: 61 59.008 2.221 0.865 0.646 0.967 0.717 CB 1.660 61 residues pruned to eliminate duplicates Z: 23 35.645 2.099 0.958 0.811 0.955 0.500 CB 1.477 23 residues pruned to eliminate duplicates Z: 15 26.372 2.124 0.562 0.899 1.000 0.786 CA 1.518 15 residues pruned to eliminate duplicates Z: 12 17.939 2.143 0.215 0.867 1.000 0.727 CA 1.519 12 residues pruned to eliminate duplicates Z: 16 26.417 2.122 0.463 0.921 1.000 0.733 CA 1.547 16 residues pruned to eliminate duplicates Z: 13 21.743 1.970 0.898 0.873 0.917 0.750 CB 1.334 13 residues pruned to eliminate duplicates Z: 66 56.219 2.240 0.918 0.596 0.908 0.677 CB 1.631 66 residues pruned to eliminate duplicates Z: 24 28.295 1.942 0.735 0.813 0.957 0.522 CB 1.394 24 residues pruned to eliminate duplicates Z: 14 27.530 2.091 0.969 0.846 0.923 0.692 CA 1.493 14 residues pruned to eliminate duplicates Z: 15 27.995 2.264 0.701 0.767 0.929 0.714 CB 1.651 15 residues pruned to eliminate duplicates Z: 123 89.888 2.331 0.943 0.595 0.951 0.730 CB 1.725 123 residues pruned to eliminate duplicates Z: 24 25.497 1.894 0.848 0.759 0.913 0.435 CB 1.322 24 residues pruned to eliminate duplicates Z: 16 21.554 1.952 0.571 0.919 1.000 0.933 CB 1.278 16 residues pruned to eliminate duplicates Z: 17 23.221 2.028 0.616 0.913 0.938 0.750 CB 1.337 17 residues pruned to eliminate duplicates Z: 30 44.907 2.255 0.922 0.676 0.966 0.862 CB 1.695 30 residues pruned to eliminate duplicates Z: 16 34.049 2.254 0.931 0.588 1.000 0.800 CB 1.856 Z: 59 56.283 2.267 0.892 0.631 0.948 0.759 CB 1.607 59 residues pruned to eliminate duplicates Z: 13 35.798 2.240 1.076 0.898 1.000 0.833 CB 1.589 Z: 16 25.156 2.057 0.803 0.910 0.933 0.867 CB 1.331 16 residues pruned to eliminate duplicates Z: 16 33.880 2.262 0.791 0.767 1.000 0.600 CA 1.704 16 residues pruned to eliminate duplicates Z: 61 60.952 2.243 0.913 0.616 0.983 0.683 CB 1.672 61 residues pruned to eliminate duplicates Z: 21 14.039 1.940 0.780 0.376 0.850 0.600 CB 1.221 21 residues pruned to eliminate duplicates Z: 15 14.538 1.860 0.429 0.526 0.929 0.571 C 1.534 Z: 68 60.875 2.266 0.990 0.541 0.970 0.627 CB 1.633 68 residues pruned to eliminate duplicates Z: 15 24.774 2.107 0.582 0.900 1.000 0.857 CB 1.419 15 residues pruned to eliminate duplicates Z: 45 40.803 2.147 0.816 0.627 0.886 0.568 CB 1.579 45 residues pruned to eliminate duplicates Z: 10 12.950 2.001 1.029 0.407 1.000 0.556 CB 1.172 Z: 61 52.310 2.210 0.854 0.633 0.967 0.767 CB 1.505 61 residues pruned to eliminate duplicates Z: 15 29.540 2.078 0.854 0.868 1.000 0.714 CB 1.498 15 residues pruned to eliminate duplicates Z: 14 28.326 2.109 0.775 0.949 1.000 1.000 CB 1.448 14 residues pruned to eliminate duplicates Z: 13 32.931 2.229 0.694 0.943 1.000 0.667 CA 1.746 13 residues pruned to eliminate duplicates Z: 13 18.066 1.859 0.772 0.889 1.000 0.917 CB 1.140 13 residues pruned to eliminate duplicates Z: 15 34.835 2.041 0.971 0.886 1.000 0.857 CA 1.670 15 residues pruned to eliminate duplicates Z: 6 2.235 1.354 0.168 0.406 0.600 0.400 N 1.162 6 residues pruned to eliminate duplicates Z: 62 63.739 2.315 0.940 0.571 0.984 0.656 CB 1.725 62 residues pruned to eliminate duplicates Z: 23 24.535 1.921 0.714 0.758 0.909 0.591 CA 1.389 23 residues pruned to eliminate duplicates Z: 11 15.133 2.086 0.457 0.833 0.900 0.500 CB 1.312 11 residues pruned to eliminate duplicates Z: 24 28.209 1.941 0.808 0.849 0.913 0.565 CB 1.361 24 residues pruned to eliminate duplicates Z: 22 33.079 2.040 0.943 0.811 0.952 0.571 CB 1.458 14 residues pruned to eliminate duplicates Z: 16 22.278 2.082 0.525 0.811 0.933 0.667 CA 1.480 16 residues pruned to eliminate duplicates Z: 11 10.621 1.796 0.376 0.829 1.000 0.500 CB 1.022 11 residues pruned to eliminate duplicates Z: 101 68.655 2.223 1.043 0.564 0.900 0.660 CB 1.578 101 residues pruned to eliminate duplicates Z: 61 65.337 2.336 0.999 0.628 0.950 0.767 CA 1.685 61 residues pruned to eliminate duplicates Z: 17 28.449 2.117 0.763 0.786 1.000 0.562 CA 1.481 17 residues pruned to eliminate duplicates Z: 14 15.096 1.743 1.028 0.562 0.846 0.538 CB 1.318 14 residues pruned to eliminate duplicates Z: 13 16.034 2.050 0.896 0.599 0.750 0.750 CB 1.445 13 residues pruned to eliminate duplicates Z: 15 19.589 1.718 0.904 0.886 1.000 0.857 CB 1.155 15 residues pruned to eliminate duplicates Z: 11 27.358 2.047 1.405 0.742 1.000 0.800 CB 1.415 11 residues pruned to eliminate duplicates Z: 29 46.370 2.179 1.208 0.731 0.929 0.643 CB 1.594 29 residues pruned to eliminate duplicates Z: 13 17.765 2.153 0.348 0.829 0.917 0.500 CA 1.451 13 residues pruned to eliminate duplicates Z: 13 27.353 2.218 0.611 0.867 1.000 0.833 CB 1.616 13 residues pruned to eliminate duplicates Z: 21 25.858 2.128 0.955 0.614 0.900 0.450 CB 1.385 21 residues pruned to eliminate duplicates Z: 8 6.294 1.885 -0.100 0.513 0.857 0.571 CA 1.615 Z: 14 22.589 2.052 0.818 0.887 0.846 0.615 CA 1.431 14 residues pruned to eliminate duplicates Z: 15 25.623 2.199 0.459 0.928 1.000 0.857 CB 1.494 15 residues pruned to eliminate duplicates Z: 46 38.812 2.132 0.853 0.591 0.844 0.556 CB 1.590 46 residues pruned to eliminate duplicates Z: 11 13.415 1.794 0.591 0.724 0.900 0.600 CB 1.349 11 residues pruned to eliminate duplicates Z: 15 22.463 2.169 0.684 0.837 0.786 0.714 CA 1.564 15 residues pruned to eliminate duplicates Z: 14 26.245 2.104 0.891 0.861 0.923 0.846 CB 1.456 14 residues pruned to eliminate duplicates Z: 27 39.976 2.151 1.219 0.668 0.885 0.577 CB 1.590 27 residues pruned to eliminate duplicates Z: 51 51.135 2.245 0.813 0.629 0.920 0.720 CB 1.711 51 residues pruned to eliminate duplicates Z: 108 90.555 2.306 0.965 0.641 0.972 0.776 CB 1.742 109 residues pruned to eliminate duplicates Z: 62 64.090 2.305 0.830 0.616 0.984 0.656 CB 1.772 62 residues pruned to eliminate duplicates Z: 8 17.670 2.113 1.029 0.870 0.857 0.571 CB 1.327 8 residues pruned to eliminate duplicates Z: 122 83.460 2.261 0.979 0.583 0.942 0.661 CB 1.663 122 residues pruned to eliminate duplicates Z: 17 26.013 2.189 1.101 0.531 0.875 0.812 CB 1.567 21 residues pruned to eliminate duplicates Z: 13 19.408 2.075 0.664 0.677 0.917 0.333 CB 1.503 13 residues pruned to eliminate duplicates Z: 66 62.481 2.254 0.945 0.608 0.938 0.646 CB 1.700 66 residues pruned to eliminate duplicates Z: 16 21.210 2.081 0.486 0.801 0.933 0.733 CB 1.459 16 residues pruned to eliminate duplicates Z: 6 6.932 1.665 0.796 0.538 0.800 0.600 C 1.249 6 residues pruned to eliminate duplicates Z: 14 29.798 2.121 0.809 0.896 0.923 0.538 CA 1.672 14 residues pruned to eliminate duplicates Z: 25 31.401 2.003 1.162 0.662 0.833 0.583 CA 1.529 25 residues pruned to eliminate duplicates Z: 16 27.931 1.934 1.081 0.808 0.933 0.467 CB 1.468 16 residues pruned to eliminate duplicates Z: 22 23.971 1.874 0.801 0.862 0.905 0.762 CB 1.257 22 residues pruned to eliminate duplicates Z: 9 9.102 1.878 0.137 0.654 0.875 0.875 C 1.493 Z: 12 9.085 2.046 0.575 0.355 0.727 0.636 CB 1.367 12 residues pruned to eliminate duplicates Z: 91 73.471 2.269 0.955 0.617 0.956 0.633 CB 1.635 91 residues pruned to eliminate duplicates Z: 117 91.350 2.319 0.957 0.644 0.974 0.759 CB 1.677 117 residues pruned to eliminate duplicates Z: 9 12.877 1.907 0.556 0.813 0.875 0.625 CA 1.335 9 residues pruned to eliminate duplicates Z: 9 13.704 2.023 0.842 0.472 0.875 0.625 CB 1.529 9 residues pruned to eliminate duplicates Z: 61 55.499 2.266 0.784 0.628 0.967 0.783 CB 1.627 61 residues pruned to eliminate duplicates Z: 16 22.444 2.000 0.656 0.863 0.933 0.800 CB 1.376 16 residues pruned to eliminate duplicates Z: 68 52.360 2.216 0.846 0.584 0.925 0.776 CB 1.558 58 residues pruned to eliminate duplicates Z: 48 54.345 2.247 1.001 0.638 0.936 0.702 CB 1.655 48 residues pruned to eliminate duplicates Z: 11 13.814 1.888 0.678 0.766 0.800 0.500 CB 1.362 11 residues pruned to eliminate duplicates Z: 16 25.052 2.280 0.551 0.762 0.933 0.533 CB 1.553 16 residues pruned to eliminate duplicates Z: 7 10.068 1.830 0.278 0.795 1.000 0.833 CA 1.357 7 residues pruned to eliminate duplicates Z: 6 7.195 1.898 0.535 0.456 0.800 0.800 CA 1.445 Z: 9 5.064 1.767 0.417 0.307 1.000 0.375 CB 0.885 9 residues pruned to eliminate duplicates Z: 15 28.808 2.056 1.464 0.706 0.857 0.714 CA 1.469 15 residues pruned to eliminate duplicates Z: 61 60.680 2.306 0.996 0.573 0.950 0.617 CA 1.668 61 residues pruned to eliminate duplicates Z: 12 29.366 2.150 0.991 0.912 1.000 0.909 CA 1.465 12 residues pruned to eliminate duplicates Z: 12 28.551 2.172 1.047 0.846 0.909 0.636 CB 1.583 12 residues pruned to eliminate duplicates Z: 70 53.945 2.237 0.842 0.544 0.928 0.725 CB 1.627 70 residues pruned to eliminate duplicates Z: 14 21.593 1.897 0.901 0.882 0.923 0.769 CB 1.301 14 residues pruned to eliminate duplicates Z: 21 28.895 2.088 1.157 0.548 0.850 0.650 CB 1.611 18 residues pruned to eliminate duplicates Z: 16 19.820 2.059 0.481 0.750 0.867 0.600 CB 1.548 16 residues pruned to eliminate duplicates Z: 61 69.044 2.334 1.103 0.610 0.967 0.700 CA 1.692 61 residues pruned to eliminate duplicates Z: 8 19.020 2.236 0.350 0.895 1.000 0.714 CB 1.707 8 residues pruned to eliminate duplicates Z: 15 21.701 1.856 0.890 0.817 0.929 0.786 CB 1.353 15 residues pruned to eliminate duplicates Z: 43 35.518 2.050 0.896 0.541 0.929 0.429 CB 1.458 43 residues pruned to eliminate duplicates Z: 16 16.293 2.045 0.620 0.774 0.800 0.600 CB 1.246 16 residues pruned to eliminate duplicates Z: 12 13.731 1.893 0.320 0.826 1.000 0.636 CB 1.250 12 residues pruned to eliminate duplicates Z: 61 65.008 2.322 0.941 0.625 0.933 0.783 CB 1.774 61 residues pruned to eliminate duplicates Z: 69 55.950 2.242 0.827 0.560 0.926 0.647 CB 1.686 69 residues pruned to eliminate duplicates Z: 64 61.880 2.305 1.004 0.624 0.889 0.730 CB 1.689 64 residues pruned to eliminate duplicates Z: 7 15.774 2.177 1.145 0.879 0.833 0.500 CB 1.200 8 residues pruned to eliminate duplicates Z: 60 56.344 2.307 0.890 0.587 0.915 0.678 CB 1.691 66 residues pruned to eliminate duplicates Z: 9 8.485 1.778 0.649 0.819 0.750 0.500 CB 1.034 Z: 11 13.825 1.821 0.809 0.747 0.900 0.500 CB 1.183 11 residues pruned to eliminate duplicates Z: 45 47.971 2.284 0.867 0.615 0.955 0.705 CA 1.594 45 residues pruned to eliminate duplicates Z: 17 20.590 2.011 0.912 0.708 0.938 0.438 CB 1.182 17 residues pruned to eliminate duplicates Z: 45 33.255 2.076 0.906 0.573 0.886 0.409 CB 1.332 45 residues pruned to eliminate duplicates Z: 17 29.067 2.130 0.932 0.899 1.000 1.000 CA 1.262 17 residues pruned to eliminate duplicates Z: 63 58.079 2.276 0.819 0.592 0.968 0.774 CB 1.685 63 residues pruned to eliminate duplicates Z: 9 15.653 1.857 0.865 0.893 1.000 0.625 CA 1.147 9 residues pruned to eliminate duplicates Z: 15 22.201 2.094 0.873 0.808 0.857 0.714 CB 1.350 24 residues pruned to eliminate duplicates Z: 13 25.658 2.044 1.316 0.776 0.833 0.750 CB 1.471 13 residues pruned to eliminate duplicates Z: 27 56.448 2.254 1.247 0.758 0.962 0.538 CB 1.807 27 residues pruned to eliminate duplicates Z: 46 31.746 2.093 0.616 0.602 0.911 0.644 CB 1.393 46 residues pruned to eliminate duplicates Z: 12 25.496 2.275 0.740 0.832 0.909 0.818 CB 1.604 12 residues pruned to eliminate duplicates Z: 12 20.069 1.876 0.833 0.816 1.000 0.545 CB 1.338 12 residues pruned to eliminate duplicates Z: 14 19.272 1.911 1.056 0.607 0.923 0.615 CB 1.332 14 residues pruned to eliminate duplicates Z: 16 14.385 2.142 0.585 0.362 0.867 0.467 CA 1.465 16 residues pruned to eliminate duplicates Z: 15 21.984 2.136 0.462 0.812 1.000 0.786 CB 1.434 15 residues pruned to eliminate duplicates Z: 58 56.887 2.231 0.993 0.612 0.930 0.667 CA 1.639 58 residues pruned to eliminate duplicates Z: 12 34.323 2.199 1.121 0.913 1.000 1.000 CB 1.570 12 residues pruned to eliminate duplicates Z: 43 41.480 2.124 0.836 0.628 0.881 0.524 CB 1.652 43 residues pruned to eliminate duplicates Z: 13 28.166 2.103 1.069 0.834 1.000 0.833 CA 1.400 13 residues pruned to eliminate duplicates Z: 16 24.039 2.015 0.631 0.826 1.000 0.600 CA 1.425 16 residues pruned to eliminate duplicates Z: 14 19.826 1.853 0.647 0.879 1.000 0.846 CB 1.308 14 residues pruned to eliminate duplicates Z: 8 11.586 1.948 0.608 0.901 0.857 0.714 CB 1.164 8 residues pruned to eliminate duplicates Z: 9 16.904 1.846 0.925 0.765 1.000 0.625 CA 1.330 9 residues pruned to eliminate duplicates Z: 51 60.947 2.324 1.093 0.627 0.940 0.680 CA 1.673 60 residues pruned to eliminate duplicates Z: 9 8.022 1.554 1.351 0.338 0.750 0.250 CA 1.236 9 residues pruned to eliminate duplicates Z: 58 64.382 2.303 0.894 0.661 0.982 0.737 CB 1.714 58 residues pruned to eliminate duplicates Z: 8 5.664 1.599 0.059 0.699 1.000 0.714 CB 1.055 Z: 6 11.687 1.726 0.854 0.837 1.000 1.000 CA 1.222 Z: 115 83.694 2.298 0.837 0.616 0.956 0.693 CA 1.739 58 residues pruned to eliminate duplicates Z: 24 27.449 1.835 0.960 0.838 0.957 0.783 CB 1.244 24 residues pruned to eliminate duplicates Z: 35 46.792 2.210 1.092 0.565 1.000 0.647 CB 1.631 37 residues pruned to eliminate duplicates Z: 10 11.913 1.890 0.576 0.775 0.778 0.556 CA 1.344 Z: 12 14.507 2.048 0.217 0.843 0.909 0.545 CA 1.437 12 residues pruned to eliminate duplicates Z: 64 63.993 2.296 0.893 0.633 0.984 0.762 CB 1.663 74 residues pruned to eliminate duplicates Z: 34 44.824 2.272 0.806 0.620 0.970 0.727 CB 1.751 34 residues pruned to eliminate duplicates Z: 23 33.165 1.948 0.901 0.877 0.909 0.818 CB 1.525 23 residues pruned to eliminate duplicates Z: 21 28.750 2.154 1.306 0.517 0.850 0.600 CB 1.497 21 residues pruned to eliminate duplicates Z: 7 3.095 1.641 -0.102 0.551 0.833 0.833 CB 0.979 Z: 19 13.115 1.998 1.019 0.369 0.667 0.444 CB 1.323 17 residues pruned to eliminate duplicates Z: 9 7.263 1.983 0.266 0.418 0.750 0.625 CB 1.486 9 residues pruned to eliminate duplicates Z: 16 24.084 2.173 0.558 0.786 1.000 0.667 CA 1.428 16 residues pruned to eliminate duplicates Z: 60 51.679 2.230 0.718 0.631 0.966 0.763 CB 1.607 60 residues pruned to eliminate duplicates Z: 56 58.548 2.246 0.900 0.625 0.964 0.655 CB 1.706 56 residues pruned to eliminate duplicates Z: 28 23.675 1.829 0.914 0.673 0.852 0.667 CB 1.302 28 residues pruned to eliminate duplicates Z: 13 31.865 2.241 0.842 0.881 1.000 0.750 CB 1.614 13 residues pruned to eliminate duplicates Z: 50 49.843 2.262 0.791 0.629 0.939 0.653 CB 1.658 50 residues pruned to eliminate duplicates Z: 15 33.378 2.173 0.754 0.936 1.000 0.857 CA 1.630 15 residues pruned to eliminate duplicates Z: 10 5.788 1.685 0.539 0.321 0.667 0.444 C 1.359 10 residues pruned to eliminate duplicates Z: 12 19.516 2.136 0.434 0.837 0.909 0.636 CA 1.582 12 residues pruned to eliminate duplicates Z: 75 54.768 2.217 0.835 0.560 0.932 0.689 CB 1.583 69 residues pruned to eliminate duplicates Z: 13 22.749 1.858 1.100 0.934 1.000 0.917 CB 1.173 13 residues pruned to eliminate duplicates Z: 8 7.185 1.895 -0.188 0.717 1.000 0.429 CB 1.450 8 residues pruned to eliminate duplicates Z: 14 15.361 1.919 1.027 0.546 0.846 0.538 CB 1.238 14 residues pruned to eliminate duplicates Z: 18 33.822 2.262 1.004 0.559 0.941 0.647 CA 1.816 18 residues pruned to eliminate duplicates Z: 38 37.956 2.088 0.874 0.684 0.892 0.568 CB 1.511 40 residues pruned to eliminate duplicates Z: 14 7.362 1.775 0.052 0.442 0.846 0.462 CB 1.372 13 residues pruned to eliminate duplicates Z: 53 53.636 2.283 0.813 0.646 0.962 0.731 CB 1.631 53 residues pruned to eliminate duplicates Z: 23 26.233 1.858 0.949 0.839 0.955 0.727 CB 1.208 23 residues pruned to eliminate duplicates Z: 56 66.468 2.335 0.991 0.657 0.964 0.709 CB 1.729 56 residues pruned to eliminate duplicates Z: 17 17.548 1.950 0.681 0.672 0.875 0.500 CB 1.305 17 residues pruned to eliminate duplicates Z: 121 88.175 2.310 0.919 0.587 0.958 0.692 CB 1.744 121 residues pruned to eliminate duplicates Z: 15 35.149 2.130 1.062 0.924 0.929 0.643 CB 1.617 15 residues pruned to eliminate duplicates Z: 14 25.946 2.035 0.932 0.690 1.000 0.846 CA 1.538 19 residues pruned to eliminate duplicates Z: 15 22.115 2.122 0.380 0.830 1.000 0.786 CA 1.517 15 residues pruned to eliminate duplicates Z: 15 28.273 2.061 1.058 0.946 1.000 0.857 CB 1.231 15 residues pruned to eliminate duplicates Z: 8 13.756 1.952 0.544 0.883 0.857 0.857 CA 1.456 8 residues pruned to eliminate duplicates Z: 11 5.936 1.795 0.058 0.350 1.000 0.400 CB 1.162 7 residues pruned to eliminate duplicates Z: 21 21.669 1.914 0.769 0.799 0.900 0.550 CB 1.224 21 residues pruned to eliminate duplicates Z: 24 25.485 1.817 0.868 0.844 0.913 0.522 CB 1.276 24 residues pruned to eliminate duplicates Z: 12 21.379 2.020 0.779 0.841 0.909 0.545 CA 1.472 12 residues pruned to eliminate duplicates Z: 53 49.105 2.207 0.883 0.633 0.942 0.750 CB 1.534 53 residues pruned to eliminate duplicates Z: 38 44.008 2.287 0.860 0.615 0.946 0.703 CB 1.613 38 residues pruned to eliminate duplicates Z: 15 19.160 1.802 0.674 0.880 1.000 0.714 CB 1.230 15 residues pruned to eliminate duplicates Z: 6 5.804 2.052 -0.341 0.805 1.000 0.600 CB 1.472 Z: 14 27.944 1.959 1.430 0.727 1.000 0.846 CB 1.327 14 residues pruned to eliminate duplicates Z: 8 10.638 1.834 0.918 0.840 0.857 0.571 CB 0.995 8 residues pruned to eliminate duplicates Z: 14 31.275 2.160 0.731 0.863 1.000 0.538 CB 1.701 14 residues pruned to eliminate duplicates Z: 84 68.520 2.274 0.986 0.620 0.892 0.663 CB 1.667 84 residues pruned to eliminate duplicates Z: 32 39.496 2.312 0.727 0.569 0.968 0.645 CB 1.717 28 residues pruned to eliminate duplicates Z: 11 13.127 1.809 0.557 0.693 0.900 0.500 CA 1.373 11 residues pruned to eliminate duplicates Z: 17 19.777 2.048 0.430 0.832 0.875 0.688 CA 1.448 17 residues pruned to eliminate duplicates Z: 10 13.416 1.916 0.692 0.773 1.000 0.556 CB 1.084 11 residues pruned to eliminate duplicates Z: 7 5.138 1.773 -0.284 0.710 1.000 1.000 CB 1.367 7 residues pruned to eliminate duplicates Z: 61 61.213 2.276 0.834 0.626 0.983 0.783 CB 1.710 61 residues pruned to eliminate duplicates Z: 16 22.460 2.196 0.447 0.757 0.933 0.467 CA 1.555 16 residues pruned to eliminate duplicates Z: 7 3.285 1.586 -0.006 0.555 0.833 0.667 CB 0.967 Z: 7 6.295 1.875 -0.182 0.789 1.000 1.000 CB 1.300 7 residues pruned to eliminate duplicates Z: 15 23.262 1.893 0.815 0.887 1.000 0.786 CB 1.305 15 residues pruned to eliminate duplicates Z: 16 19.110 1.995 0.409 0.892 1.000 0.933 CB 1.262 16 residues pruned to eliminate duplicates Z: 9 10.600 2.020 0.762 0.473 0.750 0.625 CA 1.443 9 residues pruned to eliminate duplicates Z: 63 53.262 2.172 0.828 0.623 0.968 0.742 CB 1.568 63 residues pruned to eliminate duplicates Z: 7 4.454 1.495 0.367 0.621 1.000 0.833 CB 0.794 Z: 13 31.776 2.153 1.035 0.922 1.000 1.000 CA 1.472 13 residues pruned to eliminate duplicates Z: 15 33.325 2.158 0.853 0.933 1.000 0.571 CB 1.554 15 residues pruned to eliminate duplicates Z: 6 5.166 2.002 -0.458 0.837 1.000 0.800 N 1.593 6 residues pruned to eliminate duplicates Z: 14 26.716 2.140 0.808 0.786 0.923 0.615 CB 1.614 14 residues pruned to eliminate duplicates Z: 14 29.959 1.934 1.325 0.715 1.000 1.000 CA 1.521 14 residues pruned to eliminate duplicates Z: 17 26.445 1.967 0.794 0.923 1.000 0.875 CB 1.316 17 residues pruned to eliminate duplicates Z: 69 58.712 2.230 0.934 0.571 0.941 0.735 CB 1.639 69 residues pruned to eliminate duplicates Z: 56 47.313 2.183 0.891 0.581 0.945 0.691 CB 1.512 63 residues pruned to eliminate duplicates Z: 10 10.413 1.918 0.850 0.394 0.778 0.667 CB 1.407 10 residues pruned to eliminate duplicates Z: 11 16.713 2.270 0.316 0.796 0.800 0.600 CB 1.707 11 residues pruned to eliminate duplicates Z: 6 11.309 2.001 0.830 0.687 1.000 0.800 CB 1.163 5 residues pruned to eliminate duplicates Z: 13 38.253 2.189 1.468 0.778 1.000 0.917 CB 1.599 13 residues pruned to eliminate duplicates Z: 16 30.393 2.121 0.660 0.918 1.000 0.933 CA 1.572 16 residues pruned to eliminate duplicates Z: 16 10.597 1.929 0.473 0.288 0.867 0.667 CB 1.411 16 residues pruned to eliminate duplicates Z: 18 26.145 2.144 0.912 0.567 0.941 0.706 CB 1.541 18 residues pruned to eliminate duplicates Z: 6 3.386 1.785 -0.361 0.596 1.000 0.400 CB 1.212 6 residues pruned to eliminate duplicates Z: 8 5.630 1.563 0.006 0.833 1.000 0.714 CB 1.015 8 residues pruned to eliminate duplicates Z: 9 5.170 1.788 -0.032 0.363 0.875 0.375 C 1.400 Z: 9 9.712 1.770 0.378 0.673 0.875 0.375 CA 1.372 9 residues pruned to eliminate duplicates Z: 107 73.933 2.252 1.003 0.549 0.934 0.613 CB 1.624 107 residues pruned to eliminate duplicates Z: 15 32.740 2.073 0.996 0.911 1.000 0.643 CB 1.499 15 residues pruned to eliminate duplicates Z: 11 6.743 1.748 0.243 0.345 0.900 0.500 CA 1.290 11 residues pruned to eliminate duplicates Z: 8 8.309 1.597 0.328 0.742 1.000 0.857 CB 1.193 8 residues pruned to eliminate duplicates Z: 25 5.760 1.553 0.623 0.155 0.667 0.250 CA 1.069 25 residues pruned to eliminate duplicates Z: 48 30.929 2.003 0.870 0.532 0.787 0.447 CB 1.483 48 residues pruned to eliminate duplicates Z: 25 12.268 1.822 0.501 0.394 0.833 0.500 CB 1.229 25 residues pruned to eliminate duplicates Z: 54 68.011 2.341 0.884 0.706 1.000 0.811 CB 1.758 54 residues pruned to eliminate duplicates Z: 18 19.733 1.939 0.844 0.642 1.000 0.588 CB 1.172 18 residues pruned to eliminate duplicates Z: 37 32.083 2.067 0.820 0.613 0.833 0.639 CB 1.533 37 residues pruned to eliminate duplicates Z: 16 29.012 2.134 0.715 0.935 1.000 0.867 CB 1.427 16 residues pruned to eliminate duplicates Z: 19 28.730 2.168 0.871 0.641 0.889 0.556 CB 1.645 19 residues pruned to eliminate duplicates Z: 50 51.249 2.257 0.830 0.599 0.939 0.612 CB 1.719 50 residues pruned to eliminate duplicates Z: 51 57.778 2.315 0.831 0.662 0.980 0.700 CA 1.693 51 residues pruned to eliminate duplicates Z: 32 25.261 2.001 0.705 0.606 0.806 0.516 CB 1.491 32 residues pruned to eliminate duplicates Z: 6 5.432 1.446 0.367 0.706 1.000 0.800 C 1.019 Z: 12 6.522 1.523 0.409 0.308 0.909 0.545 CB 1.248 Z: 6 6.399 2.006 0.043 0.847 1.000 1.000 CA 1.016 6 residues pruned to eliminate duplicates Z: 15 30.100 2.145 0.845 0.949 1.000 0.714 CB 1.403 15 residues pruned to eliminate duplicates Z: 38 50.341 2.281 1.103 0.683 0.892 0.622 CB 1.635 38 residues pruned to eliminate duplicates Z: 13 31.681 2.112 1.201 0.895 0.917 0.583 CA 1.539 13 residues pruned to eliminate duplicates Z: 7 6.757 1.506 0.912 0.471 0.833 0.667 N 1.184 Z: 14 30.084 2.216 0.753 0.910 1.000 0.615 CB 1.523 14 residues pruned to eliminate duplicates Z: 25 25.761 2.040 1.036 0.458 0.875 0.583 CB 1.510 25 residues pruned to eliminate duplicates Z: 7 5.373 1.354 0.463 0.730 1.000 0.500 CB 0.900 Z: 10 11.125 1.844 0.719 0.628 1.000 0.667 CB 1.037 10 residues pruned to eliminate duplicates Z: 61 68.730 2.305 0.973 0.673 0.967 0.750 CB 1.721 61 residues pruned to eliminate duplicates Z: 13 17.738 1.966 0.786 0.858 0.917 0.833 CB 1.171 13 residues pruned to eliminate duplicates Z: 16 28.248 2.044 0.942 0.930 1.000 0.467 CB 1.285 16 residues pruned to eliminate duplicates Z: 14 22.869 2.036 0.870 0.699 1.000 0.615 CB 1.389 14 residues pruned to eliminate duplicates Z: 7 10.158 1.918 0.662 0.806 1.000 0.833 N 0.997 Z: 14 12.406 1.796 0.873 0.509 0.769 0.769 CB 1.317 14 residues pruned to eliminate duplicates Z: 68 60.054 2.225 1.035 0.560 0.940 0.672 CB 1.625 68 residues pruned to eliminate duplicates Z: 114 81.010 2.298 0.937 0.621 0.920 0.673 CB 1.660 114 residues pruned to eliminate duplicates Z: 12 17.722 1.835 1.105 0.824 0.909 0.455 CB 1.149 12 residues pruned to eliminate duplicates Z: 56 63.655 2.289 0.914 0.652 0.982 0.782 CB 1.732 56 residues pruned to eliminate duplicates Z: 29 30.549 2.154 0.815 0.507 0.893 0.571 CB 1.642 29 residues pruned to eliminate duplicates Z: 6 5.000 1.680 0.720 0.530 0.800 0.600 CB 0.939 6 residues pruned to eliminate duplicates Z: 58 57.718 2.258 0.848 0.648 1.000 0.772 CB 1.596 58 residues pruned to eliminate duplicates Z: 9 11.729 2.049 0.274 0.873 0.875 0.625 CB 1.322 9 residues pruned to eliminate duplicates Z: 11 20.493 1.870 1.110 0.857 0.900 0.700 CB 1.345 11 residues pruned to eliminate duplicates Z: 55 53.522 2.236 0.888 0.612 0.907 0.704 CB 1.710 62 residues pruned to eliminate duplicates 7 1.948 1.294 0.019 0.136 1.000 0.167 C 0.949 ? Z: 59 60.903 2.280 0.848 0.614 1.000 0.741 CB 1.704 59 residues pruned to eliminate duplicates Z: 27 41.686 2.166 1.126 0.712 0.923 0.462 CB 1.587 27 residues pruned to eliminate duplicates Z: 59 72.311 2.353 1.110 0.634 0.983 0.741 CB 1.716 59 residues pruned to eliminate duplicates Z: 32 50.431 2.328 0.992 0.606 1.000 0.710 CB 1.767 32 residues pruned to eliminate duplicates Z: 17 19.419 2.066 0.552 0.784 0.812 0.500 CA 1.451 17 residues pruned to eliminate duplicates Z: 13 24.772 2.030 0.878 0.891 1.000 0.833 CB 1.349 13 residues pruned to eliminate duplicates Z: 49 53.452 2.252 0.845 0.645 0.958 0.667 CB 1.692 49 residues pruned to eliminate duplicates Z: 16 30.773 2.053 1.109 0.903 1.000 0.667 CB 1.308 16 residues pruned to eliminate duplicates Z: 60 54.653 2.223 0.974 0.601 0.881 0.627 CB 1.671 60 residues pruned to eliminate duplicates Z: 12 12.164 1.869 0.392 0.693 0.909 0.636 CB 1.300 12 residues pruned to eliminate duplicates Z: 8 9.640 1.917 0.096 0.906 1.000 0.714 CB 1.233 8 residues pruned to eliminate duplicates Z: 12 27.845 2.242 0.834 0.817 0.909 0.455 CA 1.705 12 residues pruned to eliminate duplicates Z: 9 7.516 1.747 0.254 0.542 0.875 0.625 CB 1.330 Z: 6 3.441 1.499 0.034 0.637 0.800 0.800 N 1.092 Z: 54 53.601 2.267 0.809 0.609 0.962 0.755 CA 1.683 54 residues pruned to eliminate duplicates Z: 6 5.359 1.532 0.746 0.547 0.800 0.600 CB 1.070 6 residues pruned to eliminate duplicates Z: 22 24.840 1.950 0.856 0.832 0.905 0.571 CB 1.243 22 residues pruned to eliminate duplicates Z: 24 33.752 2.026 1.059 0.803 0.913 0.609 CB 1.418 24 residues pruned to eliminate duplicates Z: 10 4.836 1.642 0.566 0.372 0.889 0.444 CB 0.809 Z: 23 26.411 1.957 0.861 0.835 0.909 0.591 CB 1.274 23 residues pruned to eliminate duplicates Z: 6 2.771 1.514 -0.003 0.553 1.000 0.600 O 0.779 Z: 55 64.732 2.302 0.911 0.684 1.000 0.759 CB 1.691 55 residues pruned to eliminate duplicates Z: 54 41.626 2.126 0.944 0.549 0.925 0.642 CB 1.426 54 residues pruned to eliminate duplicates Z: 7 4.540 1.637 -0.267 0.823 1.000 0.833 O 1.167 7 residues pruned to eliminate duplicates Z: 44 38.898 2.051 0.939 0.658 0.907 0.651 CB 1.421 45 residues pruned to eliminate duplicates Z: 19 15.170 2.003 0.702 0.400 0.833 0.444 CB 1.398 19 residues pruned to eliminate duplicates Z: 16 29.171 2.253 0.817 0.895 1.000 0.600 CA 1.319 16 residues pruned to eliminate duplicates Z: 15 15.874 2.052 0.842 0.404 0.786 0.643 CB 1.579 22 residues pruned to eliminate duplicates Z: 6 5.590 1.783 -0.267 0.781 1.000 0.600 O 1.494 5 residues pruned to eliminate duplicates Z: 16 21.549 1.956 1.063 0.703 0.867 0.800 CB 1.322 17 residues pruned to eliminate duplicates Z: 6 5.486 2.177 0.999 0.254 0.600 0.600 CA 1.247 Z: 14 33.314 2.097 1.189 0.949 1.000 0.923 CB 1.389 14 residues pruned to eliminate duplicates Z: 10 10.317 1.845 0.303 0.786 0.889 0.889 CB 1.251 10 residues pruned to eliminate duplicates Z: 10 7.408 1.789 -0.079 0.680 0.889 0.667 CB 1.428 11 residues pruned to eliminate duplicates Z: 44 36.104 2.069 0.885 0.562 0.837 0.558 CB 1.588 44 residues pruned to eliminate duplicates Z: 33 29.010 1.992 1.030 0.640 0.812 0.469 CB 1.369 33 residues pruned to eliminate duplicates Z: 40 42.298 2.158 0.921 0.652 0.897 0.718 CB 1.581 40 residues pruned to eliminate duplicates Z: 24 30.739 1.883 0.751 0.884 0.957 0.739 CB 1.469 24 residues pruned to eliminate duplicates Z: 41 43.737 2.285 1.134 0.546 0.875 0.725 CA 1.550 41 residues pruned to eliminate duplicates Z: 11 12.480 1.880 0.385 0.803 1.000 0.500 CB 1.164 11 residues pruned to eliminate duplicates Z: 14 22.348 1.917 0.970 0.867 1.000 0.846 CB 1.200 14 residues pruned to eliminate duplicates Z: 65 61.626 2.269 0.944 0.619 0.953 0.812 CB 1.637 65 residues pruned to eliminate duplicates Z: 49 55.955 2.285 0.952 0.608 0.958 0.667 CB 1.704 49 residues pruned to eliminate duplicates Z: 6 5.137 1.767 0.657 0.618 0.800 0.800 CB 0.877 5 residues pruned to eliminate duplicates Z: 48 38.366 2.095 0.845 0.549 0.851 0.426 CB 1.621 48 residues pruned to eliminate duplicates Z: 55 64.251 2.326 0.953 0.650 0.981 0.741 CB 1.706 55 residues pruned to eliminate duplicates Z: 16 18.791 2.097 0.556 0.537 0.933 0.733 CB 1.536 16 residues pruned to eliminate duplicates Z: 25 22.653 1.968 0.719 0.452 0.875 0.625 CB 1.642 25 residues pruned to eliminate duplicates Z: 18 29.510 2.164 0.804 0.554 1.000 0.706 CB 1.739 18 residues pruned to eliminate duplicates Z: 6 5.009 1.548 0.072 0.676 1.000 0.400 CB 1.148 6 residues pruned to eliminate duplicates Z: 22 23.274 2.000 1.116 0.508 0.810 0.667 CB 1.470 22 residues pruned to eliminate duplicates Z: 52 43.779 2.169 0.664 0.567 0.961 0.686 CA 1.657 52 residues pruned to eliminate duplicates Z: 9 9.670 1.959 -0.125 0.731 1.000 0.500 N 1.621 7 residues pruned to eliminate duplicates Z: 8 3.863 1.721 0.181 0.346 0.857 0.286 CB 0.991 8 residues pruned to eliminate duplicates Z: 26 24.349 2.033 0.869 0.533 0.800 0.520 CB 1.550 26 residues pruned to eliminate duplicates Z: 8 7.950 1.795 0.792 0.646 1.000 0.714 N 0.815 Z: 9 3.180 1.360 0.117 0.331 1.000 0.500 C 0.891 Z: 90 76.283 2.278 0.953 0.620 0.955 0.697 CA 1.698 90 residues pruned to eliminate duplicates Z: 10 26.552 2.434 1.256 0.663 0.778 0.556 CA 1.781 10 residues pruned to eliminate duplicates Z: 6 5.537 1.822 0.519 0.491 0.800 0.600 CB 1.129 4 residues pruned to eliminate duplicates Z: 8 3.122 1.456 0.056 0.339 0.857 0.286 CB 1.067 Z: 9 4.123 1.577 -0.106 0.514 1.000 0.500 CB 1.019 9 residues pruned to eliminate duplicates Z: 31 27.124 2.048 0.827 0.608 0.867 0.600 CB 1.378 31 residues pruned to eliminate duplicates Z: 13 15.973 1.855 0.650 0.484 1.000 0.667 C 1.531 64 residues pruned to eliminate duplicates Z: 63 66.393 2.314 1.065 0.584 0.968 0.645 CB 1.682 63 residues pruned to eliminate duplicates Z: 62 53.490 2.172 0.874 0.576 0.951 0.557 CB 1.644 62 residues pruned to eliminate duplicates Z: 9 5.737 1.858 0.507 0.313 0.625 0.500 CA 1.425 9 residues pruned to eliminate duplicates Z: 6 2.895 1.663 -0.379 0.565 0.800 0.600 N 1.470 Z: 15 5.702 1.770 0.683 0.386 0.714 0.357 CB 0.808 15 residues pruned to eliminate duplicates Z: 47 55.849 2.304 1.075 0.614 0.935 0.696 CA 1.654 47 residues pruned to eliminate duplicates Z: 6 3.821 1.639 -0.210 0.733 1.000 0.600 CB 1.071 6 residues pruned to eliminate duplicates Z: 17 14.056 1.791 0.733 0.428 0.938 0.688 CB 1.301 17 residues pruned to eliminate duplicates Z: 13 29.430 2.147 0.884 0.872 1.000 0.750 CB 1.531 Z: 14 33.185 2.144 1.186 0.871 0.923 0.692 CB 1.552 13 residues pruned to eliminate duplicates Z: 19 16.750 1.964 0.860 0.554 0.833 0.500 CB 1.230 19 residues pruned to eliminate duplicates Z: 10 13.189 1.823 0.353 0.825 1.000 0.889 CB 1.345 10 residues pruned to eliminate duplicates Z: 9 6.032 1.632 0.045 0.523 0.875 0.500 N 1.397 6 residues pruned to eliminate duplicates Z: 10 13.125 1.814 0.517 0.857 1.000 0.778 CB 1.172 Z: 47 47.369 2.195 0.960 0.635 0.913 0.739 CB 1.566 57 residues pruned to eliminate duplicates Z: 18 21.669 2.023 1.033 0.597 0.765 0.706 CA 1.523 18 residues pruned to eliminate duplicates Z: 64 61.830 2.228 1.086 0.594 0.952 0.683 CA 1.608 64 residues pruned to eliminate duplicates Z: 11 17.306 1.915 0.548 0.866 1.000 0.700 CB 1.352 11 residues pruned to eliminate duplicates Z: 7 3.234 1.597 -0.197 0.848 1.000 0.833 CB 0.764 7 residues pruned to eliminate duplicates 6 1.857 1.096 0.058 0.446 1.000 0.800 CA 0.758 ? Z: 6 2.349 1.391 0.405 0.283 0.800 0.600 CB 0.858 Z: 8 5.093 1.759 0.156 0.605 0.857 0.571 CA 0.999 8 residues pruned to eliminate duplicates Z: 11 13.927 1.880 0.612 0.773 0.900 0.500 CB 1.269 11 residues pruned to eliminate duplicates Z: 59 65.172 2.311 0.957 0.626 0.983 0.707 CA 1.710 59 residues pruned to eliminate duplicates Z: 10 9.911 1.872 0.249 0.790 1.000 0.556 CB 1.095 10 residues pruned to eliminate duplicates Z: 37 31.919 2.130 0.950 0.434 0.861 0.611 CB 1.594 37 residues pruned to eliminate duplicates Z: 17 28.682 2.166 0.788 0.885 1.000 0.750 CA 1.337 17 residues pruned to eliminate duplicates Z: 56 63.324 2.306 0.935 0.636 0.982 0.764 CA 1.716 56 residues pruned to eliminate duplicates Z: 58 50.908 2.217 0.697 0.607 0.965 0.649 CB 1.678 58 residues pruned to eliminate duplicates Z: 60 64.032 2.279 0.866 0.626 0.983 0.746 CB 1.770 60 residues pruned to eliminate duplicates Z: 11 6.140 1.397 0.599 0.485 0.800 0.600 C 1.103 Z: 59 57.569 2.215 1.000 0.644 0.948 0.793 CB 1.573 59 residues pruned to eliminate duplicates Z: 43 41.587 2.149 1.050 0.536 0.929 0.619 CA 1.514 43 residues pruned to eliminate duplicates Z: 6 2.341 1.533 0.207 0.638 1.000 0.800 CB 0.497 Z: 7 4.877 1.573 0.499 0.222 0.833 0.333 CA 1.405 7 residues pruned to eliminate duplicates Z: 22 33.058 2.315 1.030 0.479 0.905 0.714 CB 1.734 22 residues pruned to eliminate duplicates Z: 18 26.918 2.009 0.911 0.828 0.941 0.647 CA 1.360 Z: 51 56.689 2.282 0.903 0.609 0.980 0.780 CB 1.699 51 residues pruned to eliminate duplicates Z: 17 30.844 2.033 1.119 0.718 0.938 0.812 CA 1.568 17 residues pruned to eliminate duplicates Z: 8 8.569 1.820 0.715 0.439 0.857 0.571 C 1.289 Z: 6 2.009 1.412 0.506 0.403 0.600 0.400 C 0.780 Z: 34 45.065 2.248 0.945 0.571 1.000 0.697 CB 1.676 34 residues pruned to eliminate duplicates Z: 30 39.041 2.188 0.806 0.566 1.000 0.655 CB 1.720 30 residues pruned to eliminate duplicates Z: 6 4.683 1.559 -0.004 0.845 1.000 1.000 CB 1.002 5 residues pruned to eliminate duplicates Z: 15 12.842 1.985 0.741 0.278 0.857 0.500 CB 1.490 15 residues pruned to eliminate duplicates Z: 25 26.769 2.182 0.996 0.435 0.833 0.750 CB 1.610 25 residues pruned to eliminate duplicates Z: 9 7.121 1.657 0.560 0.287 1.000 0.375 CA 1.239 9 residues pruned to eliminate duplicates Z: 13 10.259 1.791 0.157 0.627 0.917 0.750 CB 1.383 13 residues pruned to eliminate duplicates Z: 34 32.827 2.111 0.666 0.617 0.970 0.758 CB 1.501 34 residues pruned to eliminate duplicates Z: 11 14.923 1.844 0.939 0.748 0.900 0.500 CB 1.175 11 residues pruned to eliminate duplicates Z: 7 4.394 1.482 0.813 0.473 0.833 0.667 CA 0.824 Z: 10 9.907 1.801 0.917 0.779 0.889 0.778 CB 0.842 10 residues pruned to eliminate duplicates Z: 10 9.710 2.089 0.160 0.834 0.778 0.556 CB 1.287 10 residues pruned to eliminate duplicates Z: 8 3.387 1.416 0.660 0.506 0.714 0.429 N 0.758 Z: 49 54.852 2.280 1.053 0.595 0.938 0.708 CB 1.647 49 residues pruned to eliminate duplicates Z: 49 47.095 2.155 0.803 0.616 0.958 0.708 CB 1.635 49 residues pruned to eliminate duplicates Z: 24 32.866 1.981 0.899 0.902 0.957 0.522 CB 1.358 24 residues pruned to eliminate duplicates Z: 9 14.077 1.938 0.439 0.856 1.000 0.750 CA 1.316 9 residues pruned to eliminate duplicates Z: 16 27.705 2.067 0.836 0.919 1.000 0.733 CB 1.329 16 residues pruned to eliminate duplicates Z: 27 30.322 2.104 0.873 0.649 0.885 0.692 CB 1.484 27 residues pruned to eliminate duplicates Z: 16 10.795 1.718 1.131 0.384 0.800 0.533 CB 1.076 16 residues pruned to eliminate duplicates Z: 7 4.970 1.699 -0.074 0.658 0.833 0.833 O 1.336 7 residues pruned to eliminate duplicates 6 1.757 1.220 0.193 0.237 1.000 0.400 N 0.732 ? Z: 7 16.076 1.907 0.992 0.579 1.000 0.833 C 1.602 7 residues pruned to eliminate duplicates Z: 14 23.867 2.327 1.028 0.465 0.846 0.308 CA 1.719 14 residues pruned to eliminate duplicates Z: 29 35.642 2.237 0.942 0.537 0.893 0.679 CB 1.675 29 residues pruned to eliminate duplicates Z: 6 6.294 2.038 0.417 0.326 0.800 0.400 CA 1.475 6 residues pruned to eliminate duplicates Z: 8 3.511 1.558 -0.022 0.404 0.857 0.429 CB 1.124 Z: 6 4.930 1.762 0.599 0.440 0.800 0.600 CB 1.040 Z: 7 2.887 1.411 0.257 0.415 0.833 0.500 CB 0.872 7 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds 8 1.655 1.522 -0.025 0.480 0.857 0.429 CB 0.502 ? Z: 12 26.649 2.088 1.406 0.709 0.909 0.818 CB 1.456 Z: 6 6.368 1.526 1.138 0.459 1.000 0.600 CA 0.911 6 residues pruned to eliminate duplicates Z: 37 36.574 2.119 1.017 0.671 0.861 0.722 CB 1.415 45 residues pruned to eliminate duplicates Z: 6 3.910 1.566 0.429 0.444 0.800 0.600 CA 1.034 6 residues pruned to eliminate duplicates Z: 22 27.078 2.169 0.941 0.590 0.810 0.524 CB 1.591 22 residues pruned to eliminate duplicates Z: 28 37.913 2.161 1.130 0.661 0.926 0.593 CB 1.475 28 residues pruned to eliminate duplicates Z: 40 33.274 2.155 1.033 0.529 0.872 0.564 CB 1.355 40 residues pruned to eliminate duplicates Z: 16 24.567 2.068 1.009 0.681 0.867 0.667 CB 1.492 16 residues pruned to eliminate duplicates Z: 42 37.199 2.168 0.941 0.554 0.854 0.610 CB 1.535 78 residues pruned to eliminate duplicates Z: 25 45.804 2.285 1.209 0.730 0.958 0.667 CB 1.571 Z: 13 37.360 2.246 1.094 0.886 1.000 0.833 CB 1.654 13 residues pruned to eliminate duplicates Z: 15 33.980 2.099 1.011 0.885 1.000 0.857 CB 1.553 15 residues pruned to eliminate duplicates Z: 53 37.473 2.154 0.864 0.580 0.885 0.635 CB 1.354 78 residues pruned to eliminate duplicates Z: 27 39.168 2.198 1.076 0.677 0.923 0.692 CB 1.550 Z: 14 32.576 2.153 0.959 0.907 1.000 0.846 CB 1.524 14 residues pruned to eliminate duplicates Z: 18 29.012 2.234 1.186 0.647 0.824 0.588 CB 1.526 18 residues pruned to eliminate duplicates Z: 27 45.191 2.230 1.129 0.713 0.962 0.731 CB 1.601 27 residues pruned to eliminate duplicates Z: 15 32.349 2.094 0.950 0.888 1.000 0.786 CB 1.525 15 residues pruned to eliminate duplicates Z: 36 32.103 2.079 0.823 0.669 0.857 0.800 CB 1.430 27 residues pruned to eliminate duplicates Z: 15 30.716 2.117 0.828 0.822 1.000 0.786 CB 1.605 15 residues pruned to eliminate duplicates Z: 39 35.443 2.086 0.865 0.661 0.921 0.763 CB 1.382 40 residues pruned to eliminate duplicates Z: 11 13.856 1.816 0.768 0.804 0.900 0.800 CB 1.164 11 residues pruned to eliminate duplicates Z: 12 11.052 1.798 0.527 0.760 0.909 0.636 CB 1.059 12 residues pruned to eliminate duplicates Z: 34 36.772 2.161 0.934 0.732 0.879 0.636 CB 1.415 34 residues pruned to eliminate duplicates Z: 20 13.534 1.844 0.546 0.488 0.842 0.684 CB 1.309 16 residues pruned to eliminate duplicates Z: 10 13.994 1.850 0.684 0.841 1.000 1.000 CB 1.117 10 residues pruned to eliminate duplicates Z: 40 35.329 2.094 0.759 0.651 0.897 0.641 CB 1.487 40 residues pruned to eliminate duplicates Z: 11 12.108 1.822 0.903 0.729 0.800 0.400 CB 1.123 11 residues pruned to eliminate duplicates Z: 11 13.678 1.831 0.757 0.737 0.900 0.600 CB 1.208 11 residues pruned to eliminate duplicates Z: 26 25.534 1.953 0.864 0.642 0.880 0.480 CB 1.396 26 residues pruned to eliminate duplicates Z: 13 27.092 1.985 1.395 0.739 0.917 0.833 CA 1.448 13 residues pruned to eliminate duplicates Z: 14 36.597 2.229 1.578 0.686 0.923 0.692 CB 1.614 15 residues pruned to eliminate duplicates Z: 6 9.773 1.588 1.540 0.464 1.000 0.800 CB 1.124 6 residues pruned to eliminate duplicates Z: 15 25.261 2.092 1.219 0.535 0.857 0.571 CA 1.639 15 residues pruned to eliminate duplicates Z: 39 30.543 2.157 0.831 0.534 0.816 0.553 CB 1.488 39 residues pruned to eliminate duplicates Z: 14 22.567 2.216 0.919 0.573 0.846 0.615 CA 1.621 14 residues pruned to eliminate duplicates Z: 28 48.945 2.184 1.258 0.718 0.926 0.519 CB 1.694 28 residues pruned to eliminate duplicates Z: 28 43.001 2.129 1.414 0.699 0.889 0.556 CB 1.511 28 residues pruned to eliminate duplicates Z: 37 38.009 2.090 1.027 0.703 0.861 0.639 CB 1.444 37 residues pruned to eliminate duplicates Z: 30 34.134 2.138 0.954 0.589 0.862 0.414 CB 1.616 30 residues pruned to eliminate duplicates Z: 42 40.356 2.191 1.079 0.575 0.854 0.512 CB 1.508 42 residues pruned to eliminate duplicates Z: 37 32.940 2.082 0.924 0.505 0.917 0.361 CB 1.488 37 residues pruned to eliminate duplicates Z: 19 35.594 2.199 1.141 0.653 0.944 0.333 CA 1.637 19 residues pruned to eliminate duplicates Z: 18 37.512 2.267 1.269 0.678 0.941 0.529 CB 1.595 18 residues pruned to eliminate duplicates Z: 30 41.916 2.112 1.350 0.641 0.897 0.552 CB 1.532 30 residues pruned to eliminate duplicates Z: 38 28.309 2.138 0.850 0.441 0.838 0.459 CB 1.491 27 residues pruned to eliminate duplicates Z: 14 33.928 2.108 1.168 0.876 1.000 0.769 CA 1.497 14 residues pruned to eliminate duplicates Z: 38 38.109 2.150 0.908 0.657 0.892 0.676 CB 1.480 38 residues pruned to eliminate duplicates Z: 26 48.493 2.254 1.187 0.737 0.960 0.720 CB 1.657 26 residues pruned to eliminate duplicates Z: 20 27.700 2.096 1.091 0.659 0.842 0.526 CA 1.486 20 residues pruned to eliminate duplicates Z: 77 48.401 2.163 0.869 0.546 0.868 0.579 CB 1.512 77 residues pruned to eliminate duplicates Z: 42 37.837 2.093 0.929 0.585 0.902 0.537 CB 1.495 42 residues pruned to eliminate duplicates Z: 36 34.767 2.115 1.060 0.669 0.829 0.514 CB 1.393 36 residues pruned to eliminate duplicates Z: 40 37.290 2.073 0.942 0.638 0.872 0.641 CB 1.495 40 residues pruned to eliminate duplicates Z: 32 21.336 1.975 0.988 0.430 0.774 0.484 CB 1.356 32 residues pruned to eliminate duplicates Z: 16 12.693 1.984 0.537 0.471 0.800 0.533 CB 1.384 16 residues pruned to eliminate duplicates Z: 21 35.823 2.166 1.009 0.758 0.900 0.350 CB 1.626 21 residues pruned to eliminate duplicates Z: 10 18.661 2.105 0.634 0.720 1.000 0.444 CB 1.483 10 residues pruned to eliminate duplicates Z: 13 14.874 1.912 0.785 0.607 0.833 0.583 CB 1.364 13 residues pruned to eliminate duplicates Z: 11 17.704 2.025 0.597 0.708 1.000 0.600 CA 1.434 11 residues pruned to eliminate duplicates Z: 41 47.188 2.185 1.140 0.657 0.925 0.525 CB 1.491 41 residues pruned to eliminate duplicates Z: 17 17.373 1.978 0.955 0.435 0.875 0.438 CB 1.373 17 residues pruned to eliminate duplicates Z: 37 36.309 2.109 0.902 0.551 0.889 0.556 CB 1.615 37 residues pruned to eliminate duplicates Z: 102 65.177 2.195 1.025 0.563 0.911 0.663 CB 1.507 74 residues pruned to eliminate duplicates Z: 7 6.277 1.567 0.807 0.437 0.833 0.500 CA 1.160 7 residues pruned to eliminate duplicates Z: 66 68.551 2.331 1.079 0.581 0.954 0.677 CB 1.702 66 residues pruned to eliminate duplicates Z: 37 34.219 2.212 0.701 0.581 0.889 0.750 CB 1.577 37 residues pruned to eliminate duplicates Z: 62 62.261 2.308 0.955 0.587 0.951 0.738 CB 1.709 62 residues pruned to eliminate duplicates Z: 68 62.973 2.309 0.938 0.586 0.955 0.731 CB 1.657 68 residues pruned to eliminate duplicates Z: 58 52.113 2.187 0.999 0.586 0.912 0.667 CB 1.594 58 residues pruned to eliminate duplicates Z: 60 67.284 2.366 1.014 0.624 0.932 0.814 CB 1.754 60 residues pruned to eliminate duplicates Z: 55 68.169 2.337 1.050 0.649 0.981 0.722 CB 1.717 55 residues pruned to eliminate duplicates Z: 127 85.147 2.283 0.903 0.613 0.944 0.706 CB 1.661 117 residues pruned to eliminate duplicates Z: 15 29.810 2.210 0.647 0.918 1.000 0.786 CB 1.544 15 residues pruned to eliminate duplicates Z: 50 53.759 2.288 0.943 0.586 0.959 0.694 CB 1.659 50 residues pruned to eliminate duplicates Z: 66 61.274 2.246 1.003 0.567 0.954 0.708 CB 1.660 66 residues pruned to eliminate duplicates Z: 61 68.961 2.367 1.032 0.606 0.967 0.700 CB 1.732 61 residues pruned to eliminate duplicates Z: 55 67.552 2.331 1.012 0.652 1.000 0.741 CB 1.702 55 residues pruned to eliminate duplicates Z: 62 64.293 2.291 1.054 0.592 0.967 0.738 CB 1.657 62 residues pruned to eliminate duplicates Z: 50 52.188 2.280 1.045 0.563 0.918 0.673 CB 1.638 50 residues pruned to eliminate duplicates Z: 59 64.565 2.308 0.997 0.614 0.983 0.672 CB 1.680 59 residues pruned to eliminate duplicates Z: 125 87.453 2.279 1.006 0.601 0.944 0.694 CB 1.654 135 residues pruned to eliminate duplicates Z: 27 38.971 2.255 0.730 0.782 0.885 0.731 CB 1.727 27 residues pruned to eliminate duplicates Z: 60 65.655 2.371 0.975 0.620 0.932 0.729 CB 1.749 60 residues pruned to eliminate duplicates Z: 65 64.429 2.318 0.982 0.600 0.953 0.703 CB 1.671 65 residues pruned to eliminate duplicates Z: 67 62.612 2.285 1.019 0.585 0.939 0.697 CB 1.639 67 residues pruned to eliminate duplicates Z: 78 67.768 2.274 0.961 0.593 0.961 0.688 CB 1.650 78 residues pruned to eliminate duplicates Z: 64 67.702 2.354 0.963 0.611 0.968 0.746 CB 1.716 64 residues pruned to eliminate duplicates Z: 61 64.338 2.346 1.016 0.610 0.933 0.683 CB 1.696 61 residues pruned to eliminate duplicates Z: 66 62.850 2.310 0.925 0.585 0.969 0.723 CB 1.667 66 residues pruned to eliminate duplicates Z: 67 61.714 2.291 0.975 0.569 0.955 0.652 CB 1.645 67 residues pruned to eliminate duplicates Z: 64 69.594 2.340 1.036 0.615 0.968 0.778 CB 1.705 64 residues pruned to eliminate duplicates Z: 67 63.953 2.294 1.011 0.577 0.970 0.712 CB 1.634 67 residues pruned to eliminate duplicates Z: 55 63.612 2.317 1.011 0.622 0.981 0.759 CB 1.687 55 residues pruned to eliminate duplicates Z: 66 64.278 2.304 0.992 0.576 0.954 0.631 CB 1.692 66 residues pruned to eliminate duplicates Z: 54 70.440 2.337 1.076 0.668 1.000 0.736 CB 1.708 54 residues pruned to eliminate duplicates Z: 62 64.509 2.315 0.991 0.593 0.967 0.738 CB 1.696 62 residues pruned to eliminate duplicates Z: 126 82.984 2.286 0.915 0.575 0.944 0.744 CB 1.670 126 residues pruned to eliminate duplicates Z: 66 64.850 2.304 0.984 0.604 0.969 0.708 CB 1.645 66 residues pruned to eliminate duplicates Z: 59 62.798 2.311 0.919 0.612 1.000 0.793 CB 1.672 59 residues pruned to eliminate duplicates Z: 60 64.860 2.367 0.956 0.613 0.966 0.763 CB 1.697 60 residues pruned to eliminate duplicates Z: 67 65.889 2.295 1.038 0.598 0.955 0.712 CB 1.654 67 residues pruned to eliminate duplicates Z: 64 68.712 2.339 1.101 0.595 0.937 0.714 CB 1.718 64 residues pruned to eliminate duplicates Z: 56 66.795 2.297 1.015 0.668 1.000 0.709 CB 1.667 56 residues pruned to eliminate duplicates Z: 104 71.630 2.207 0.992 0.600 0.951 0.660 CB 1.533 104 residues pruned to eliminate duplicates Z: 61 62.372 2.265 0.972 0.620 0.950 0.683 CB 1.694 61 residues pruned to eliminate duplicates Z: 71 66.552 2.280 1.071 0.564 0.929 0.671 CB 1.704 71 residues pruned to eliminate duplicates Z: 76 62.552 2.280 1.028 0.542 0.907 0.653 CB 1.652 76 residues pruned to eliminate duplicates Z: 16 10.117 1.938 0.915 0.197 0.667 0.267 CA 1.514 16 residues pruned to eliminate duplicates Z: 41 30.032 2.047 1.169 0.443 0.825 0.425 CB 1.374 41 residues pruned to eliminate duplicates Z: 18 10.976 1.856 0.900 0.133 0.824 0.235 CA 1.449 18 residues pruned to eliminate duplicates Z: 66 56.041 2.237 0.764 0.574 0.985 0.631 CB 1.665 72 residues pruned to eliminate duplicates Z: 66 55.617 2.249 0.724 0.582 0.969 0.769 CB 1.696 66 residues pruned to eliminate duplicates Z: 66 57.451 2.243 0.793 0.580 0.954 0.692 CB 1.721 63 residues pruned to eliminate duplicates 6 1.503 1.404 0.518 0.235 0.800 0.600 CA 0.536 ? Z: 6 4.887 1.796 0.450 0.245 1.000 0.800 CA 1.126 Z: 6 8.376 1.702 0.665 0.478 1.000 0.800 CA 1.352 5 residues pruned to eliminate duplicates Z: 6 6.401 1.788 0.534 0.445 1.000 0.800 N 1.104 Z: 6 6.218 1.679 0.620 0.372 1.000 0.800 CA 1.172 12 residues pruned to eliminate duplicates Z: 65 62.116 2.279 0.932 0.597 0.969 0.656 CB 1.659 72 residues pruned to eliminate duplicates Z: 81 48.202 2.147 0.720 0.583 0.900 0.675 CB 1.498 98 residues pruned to eliminate duplicates Z: 17 24.584 2.070 0.609 0.801 1.000 0.688 CB 1.418 17 residues pruned to eliminate duplicates Z: 66 58.850 2.270 0.863 0.586 0.954 0.646 CB 1.666 66 residues pruned to eliminate duplicates Z: 61 58.115 2.252 0.910 0.607 0.950 0.750 CB 1.658 61 residues pruned to eliminate duplicates Z: 60 62.317 2.265 0.897 0.618 0.983 0.678 CB 1.717 60 residues pruned to eliminate duplicates Z: 64 60.555 2.252 0.916 0.582 0.952 0.619 CB 1.717 64 residues pruned to eliminate duplicates Z: 61 57.924 2.239 0.931 0.595 0.933 0.600 CB 1.692 61 residues pruned to eliminate duplicates Z: 123 91.598 2.333 0.940 0.600 0.959 0.689 CB 1.736 123 residues pruned to eliminate duplicates Z: 70 62.132 2.209 0.906 0.589 0.986 0.667 CB 1.655 70 residues pruned to eliminate duplicates Z: 50 48.240 2.211 0.804 0.602 0.959 0.673 CB 1.634 50 residues pruned to eliminate duplicates Z: 66 57.170 2.230 0.859 0.590 0.954 0.723 CB 1.646 66 residues pruned to eliminate duplicates Z: 66 64.578 2.271 0.979 0.599 0.954 0.708 CB 1.699 66 residues pruned to eliminate duplicates Z: 66 59.506 2.260 0.853 0.597 0.969 0.754 CB 1.657 66 residues pruned to eliminate duplicates Z: 60 58.262 2.253 0.901 0.616 0.949 0.695 CB 1.672 60 residues pruned to eliminate duplicates Z: 61 57.404 2.240 0.856 0.623 0.967 0.717 CB 1.642 61 residues pruned to eliminate duplicates Z: 67 55.748 2.226 0.889 0.541 0.970 0.636 CB 1.618 67 residues pruned to eliminate duplicates Z: 61 55.955 2.257 0.774 0.612 0.967 0.717 CB 1.679 61 residues pruned to eliminate duplicates Z: 66 62.117 2.269 0.919 0.594 0.954 0.754 CB 1.695 66 residues pruned to eliminate duplicates Z: 56 44.905 2.126 0.838 0.582 0.945 0.582 CB 1.515 64 residues pruned to eliminate duplicates Z: 65 58.098 2.249 0.908 0.586 0.938 0.688 CB 1.663 65 residues pruned to eliminate duplicates Z: 60 60.756 2.267 0.904 0.630 0.949 0.729 CB 1.709 60 residues pruned to eliminate duplicates Z: 61 56.647 2.234 0.870 0.605 0.967 0.633 CB 1.640 61 residues pruned to eliminate duplicates Z: 65 58.230 2.208 0.919 0.590 0.953 0.719 CB 1.653 65 residues pruned to eliminate duplicates Z: 63 60.185 2.244 0.920 0.600 0.952 0.726 CB 1.695 63 residues pruned to eliminate duplicates Z: 64 59.264 2.233 0.902 0.577 0.968 0.619 CB 1.686 64 residues pruned to eliminate duplicates Z: 61 62.980 2.251 0.941 0.613 0.983 0.700 CB 1.700 61 residues pruned to eliminate duplicates Z: 66 61.250 2.262 0.939 0.599 0.954 0.662 CB 1.653 66 residues pruned to eliminate duplicates Z: 65 58.071 2.219 0.838 0.592 0.984 0.703 CB 1.657 65 residues pruned to eliminate duplicates Z: 65 58.840 2.252 0.838 0.581 0.969 0.672 CB 1.697 65 residues pruned to eliminate duplicates Z: 69 59.701 2.229 0.913 0.572 0.956 0.676 CB 1.657 69 residues pruned to eliminate duplicates Z: 63 60.358 2.276 0.863 0.597 0.968 0.710 CB 1.704 63 residues pruned to eliminate duplicates Z: 51 49.200 2.170 0.775 0.618 1.000 0.680 CB 1.617 51 residues pruned to eliminate duplicates Z: 65 61.292 2.261 0.945 0.578 0.969 0.719 CB 1.667 65 residues pruned to eliminate duplicates Z: 62 58.836 2.234 0.810 0.621 0.967 0.623 CB 1.718 62 residues pruned to eliminate duplicates Z: 17 30.057 2.218 0.887 0.596 0.938 0.688 CB 1.748 17 residues pruned to eliminate duplicates Z: 63 57.394 2.224 0.852 0.618 0.952 0.613 CB 1.664 63 residues pruned to eliminate duplicates Z: 64 57.759 2.250 0.907 0.587 0.952 0.619 CB 1.638 64 residues pruned to eliminate duplicates Z: 60 54.907 2.199 0.835 0.627 0.983 0.644 CB 1.598 60 residues pruned to eliminate duplicates Z: 63 58.541 2.238 0.818 0.622 0.968 0.694 CB 1.682 63 residues pruned to eliminate duplicates Z: 67 65.032 2.265 0.934 0.597 0.970 0.788 CB 1.718 67 residues pruned to eliminate duplicates Z: 67 59.955 2.258 0.838 0.581 0.985 0.697 CB 1.670 67 residues pruned to eliminate duplicates Z: 57 62.526 2.289 0.905 0.660 0.982 0.732 CB 1.681 57 residues pruned to eliminate duplicates Z: 56 60.009 2.290 0.860 0.671 0.964 0.727 CB 1.684 56 residues pruned to eliminate duplicates Z: 70 50.157 2.224 0.800 0.577 0.884 0.594 CB 1.584 70 residues pruned to eliminate duplicates Z: 10 10.042 1.874 1.012 0.467 0.778 0.444 CB 1.181 Z: 6 7.949 1.910 0.586 0.563 0.800 0.600 CB 1.379 6 residues pruned to eliminate duplicates Z: 71 57.444 2.257 0.851 0.572 0.943 0.657 CB 1.626 81 residues pruned to eliminate duplicates Z: 13 6.210 1.713 0.658 0.412 0.583 0.333 CB 1.186 Z: 7 4.377 1.502 0.654 0.222 1.000 0.500 N 0.996 7 residues pruned to eliminate duplicates Z: 65 60.976 2.300 0.851 0.602 0.938 0.781 CB 1.733 78 residues pruned to eliminate duplicates Z: 66 57.482 2.292 0.797 0.568 0.969 0.662 CB 1.672 66 residues pruned to eliminate duplicates Z: 61 57.642 2.240 0.829 0.651 0.983 0.833 CB 1.606 61 residues pruned to eliminate duplicates Z: 60 56.378 2.218 0.919 0.629 0.949 0.729 CB 1.609 60 residues pruned to eliminate duplicates Z: 102 63.979 2.189 0.843 0.574 0.931 0.693 CB 1.579 76 residues pruned to eliminate duplicates Z: 6 4.872 1.815 0.726 0.409 1.000 1.000 CA 0.765 6 residues pruned to eliminate duplicates Z: 58 58.260 2.257 0.875 0.647 1.000 0.842 CB 1.590 58 residues pruned to eliminate duplicates Z: 64 58.514 2.275 0.905 0.604 0.968 0.746 CB 1.592 64 residues pruned to eliminate duplicates Z: 55 57.324 2.262 0.883 0.659 1.000 0.815 CB 1.581 55 residues pruned to eliminate duplicates Z: 44 42.560 2.203 0.825 0.623 0.930 0.721 CB 1.545 44 residues pruned to eliminate duplicates Z: 60 55.208 2.204 0.855 0.646 0.966 0.729 CB 1.588 60 residues pruned to eliminate duplicates Z: 54 51.716 2.246 0.772 0.672 0.981 0.736 CB 1.552 54 residues pruned to eliminate duplicates Z: 59 57.800 2.246 0.902 0.640 0.983 0.759 CB 1.586 59 residues pruned to eliminate duplicates Z: 60 58.180 2.248 0.893 0.632 0.983 0.763 CB 1.599 60 residues pruned to eliminate duplicates Z: 60 51.558 2.195 0.844 0.611 0.949 0.712 CB 1.572 60 residues pruned to eliminate duplicates Z: 60 58.164 2.252 0.872 0.632 0.983 0.814 CB 1.614 60 residues pruned to eliminate duplicates Z: 65 62.781 2.281 1.017 0.614 0.953 0.703 CB 1.606 65 residues pruned to eliminate duplicates Z: 70 62.406 2.234 0.962 0.605 0.986 0.652 CB 1.573 70 residues pruned to eliminate duplicates Z: 63 54.709 2.214 0.884 0.610 0.952 0.806 CB 1.576 63 residues pruned to eliminate duplicates Z: 60 53.832 2.224 0.818 0.636 0.983 0.797 CB 1.552 60 residues pruned to eliminate duplicates Z: 70 55.504 2.236 0.873 0.552 0.928 0.710 CB 1.635 70 residues pruned to eliminate duplicates Z: 66 62.732 2.267 0.940 0.621 0.985 0.738 CB 1.602 66 residues pruned to eliminate duplicates Z: 63 54.919 2.217 0.873 0.604 0.968 0.645 CB 1.572 63 residues pruned to eliminate duplicates Z: 34 38.739 2.180 0.930 0.625 0.939 0.848 CB 1.517 34 residues pruned to eliminate duplicates Z: 61 59.874 2.256 0.951 0.611 0.967 0.750 CB 1.635 61 residues pruned to eliminate duplicates Z: 61 60.705 2.240 1.029 0.604 0.967 0.717 CB 1.616 61 residues pruned to eliminate duplicates Z: 55 57.320 2.261 0.899 0.653 1.000 0.741 CB 1.575 55 residues pruned to eliminate duplicates Z: 63 57.493 2.252 0.894 0.606 0.968 0.694 CB 1.599 63 residues pruned to eliminate duplicates Z: 69 48.816 2.186 0.784 0.573 0.941 0.676 CB 1.504 69 residues pruned to eliminate duplicates Z: 66 55.808 2.182 0.924 0.615 0.969 0.723 CB 1.526 66 residues pruned to eliminate duplicates Z: 57 43.564 2.140 0.952 0.550 0.875 0.643 CB 1.517 57 residues pruned to eliminate duplicates Z: 56 53.098 2.205 0.894 0.646 0.964 0.673 CB 1.552 56 residues pruned to eliminate duplicates Z: 71 54.870 2.225 0.853 0.569 0.943 0.714 CB 1.579 71 residues pruned to eliminate duplicates Z: 58 61.535 2.283 0.917 0.645 1.000 0.772 CB 1.626 58 residues pruned to eliminate duplicates Z: 61 57.402 2.292 0.921 0.609 0.933 0.767 CB 1.626 61 residues pruned to eliminate duplicates Z: 62 58.574 2.247 1.007 0.602 0.967 0.689 CB 1.560 62 residues pruned to eliminate duplicates Z: 61 55.770 2.225 0.847 0.623 0.983 0.717 CB 1.587 61 residues pruned to eliminate duplicates Z: 60 57.422 2.237 0.928 0.628 0.949 0.729 CB 1.618 60 residues pruned to eliminate duplicates Z: 61 57.620 2.257 0.995 0.632 0.950 0.733 CB 1.536 61 residues pruned to eliminate duplicates Z: 64 63.360 2.288 0.987 0.611 0.968 0.762 CB 1.632 64 residues pruned to eliminate duplicates Z: 92 67.855 2.207 0.906 0.633 0.945 0.747 CB 1.579 92 residues pruned to eliminate duplicates Z: 57 51.855 2.186 0.879 0.662 0.946 0.804 CB 1.533 57 residues pruned to eliminate duplicates Z: 59 55.257 2.253 0.902 0.625 0.948 0.776 CB 1.587 59 residues pruned to eliminate duplicates Z: 58 57.672 2.266 0.870 0.643 0.982 0.825 CB 1.605 58 residues pruned to eliminate duplicates Z: 61 61.551 2.228 0.989 0.629 0.983 0.800 CB 1.615 61 residues pruned to eliminate duplicates Z: 59 57.457 2.270 0.971 0.620 0.931 0.655 CB 1.618 59 residues pruned to eliminate duplicates Z: 92 74.258 2.220 0.996 0.649 0.934 0.659 CB 1.638 62 residues pruned to eliminate duplicates Z: 6 5.189 1.470 0.941 0.419 0.800 0.800 CA 1.107 6 residues pruned to eliminate duplicates Z: 17 26.576 1.959 1.384 0.660 0.812 0.625 CA 1.509 17 residues pruned to eliminate duplicates Z: 14 31.279 2.064 1.295 0.722 0.846 0.846 CA 1.771 14 residues pruned to eliminate duplicates Z: 7 6.244 1.757 0.861 0.269 0.833 0.333 CA 1.215 Z: 6 5.965 1.898 0.898 0.420 0.800 0.000 CB 1.006 5 residues pruned to eliminate duplicates Z: 15 31.332 2.253 0.991 0.728 0.857 0.429 CB 1.774 15 residues pruned to eliminate duplicates Z: 37 45.691 2.137 0.940 0.705 0.944 0.611 CB 1.613 45 residues pruned to eliminate duplicates Z: 28 50.409 2.180 1.199 0.724 0.963 0.667 CA 1.716 28 residues pruned to eliminate duplicates Z: 15 35.834 2.119 0.942 0.844 1.000 0.571 CA 1.732 15 residues pruned to eliminate duplicates Z: 40 41.637 2.111 0.978 0.656 0.872 0.615 CB 1.585 40 residues pruned to eliminate duplicates Z: 100 69.767 2.207 0.936 0.633 0.919 0.657 CB 1.576 100 residues pruned to eliminate duplicates Z: 17 34.034 2.235 1.184 0.688 0.875 0.500 CB 1.677 17 residues pruned to eliminate duplicates Z: 39 32.370 2.088 0.818 0.533 0.842 0.395 CB 1.590 39 residues pruned to eliminate duplicates Z: 35 26.567 2.060 0.696 0.563 0.824 0.353 CB 1.489 35 residues pruned to eliminate duplicates Z: 33 27.579 2.071 0.854 0.571 0.781 0.406 CB 1.518 33 residues pruned to eliminate duplicates Z: 28 46.939 2.143 1.276 0.704 0.926 0.778 CB 1.662 28 residues pruned to eliminate duplicates Z: 38 39.012 2.126 0.892 0.641 0.892 0.649 CB 1.567 38 residues pruned to eliminate duplicates Z: 38 42.886 2.137 0.976 0.667 0.892 0.514 CB 1.604 38 residues pruned to eliminate duplicates Z: 40 28.421 2.046 0.700 0.503 0.846 0.359 CB 1.542 40 residues pruned to eliminate duplicates Z: 39 44.868 2.173 1.055 0.694 0.895 0.474 CB 1.526 39 residues pruned to eliminate duplicates Z: 39 44.737 2.167 0.940 0.689 0.895 0.632 CB 1.623 39 residues pruned to eliminate duplicates Z: 31 21.876 1.991 0.639 0.578 0.800 0.567 CB 1.418 31 residues pruned to eliminate duplicates Z: 18 11.445 1.900 0.326 0.531 0.824 0.294 CB 1.298 18 residues pruned to eliminate duplicates Z: 101 71.246 2.182 0.963 0.616 0.930 0.630 CB 1.602 101 residues pruned to eliminate duplicates Z: 30 30.715 2.119 0.825 0.593 0.828 0.483 CB 1.631 30 residues pruned to eliminate duplicates Z: 19 15.576 1.892 0.618 0.456 0.889 0.500 CB 1.411 19 residues pruned to eliminate duplicates Z: 37 33.481 2.059 0.815 0.645 0.861 0.583 CB 1.514 37 residues pruned to eliminate duplicates Z: 105 67.346 2.202 0.821 0.594 0.933 0.692 CB 1.614 105 residues pruned to eliminate duplicates Z: 55 37.487 2.091 0.679 0.530 0.889 0.630 CB 1.588 55 residues pruned to eliminate duplicates Z: 68 51.151 2.193 0.798 0.570 0.940 0.672 CB 1.575 68 residues pruned to eliminate duplicates Z: 47 43.101 2.120 1.030 0.609 0.848 0.652 CB 1.570 47 residues pruned to eliminate duplicates Z: 12 9.876 1.844 0.335 0.376 0.909 0.364 CA 1.519 12 residues pruned to eliminate duplicates Z: 10 8.405 2.060 0.290 0.348 0.778 0.333 CB 1.599 10 residues pruned to eliminate duplicates Z: 47 41.287 2.202 0.833 0.555 0.891 0.652 CB 1.605 47 residues pruned to eliminate duplicates Z: 36 18.979 1.926 0.595 0.368 0.800 0.457 CA 1.503 36 residues pruned to eliminate duplicates Z: 40 24.685 1.949 0.768 0.412 0.821 0.513 CB 1.533 40 residues pruned to eliminate duplicates Z: 13 9.015 1.864 0.744 0.244 0.667 0.417 C 1.613 13 residues pruned to eliminate duplicates Z: 67 56.456 2.209 0.890 0.597 0.955 0.758 CB 1.590 67 residues pruned to eliminate duplicates Z: 66 60.192 2.266 0.830 0.618 0.985 0.723 CB 1.636 66 residues pruned to eliminate duplicates Z: 66 55.733 2.239 0.856 0.602 0.954 0.769 CB 1.582 66 residues pruned to eliminate duplicates Z: 64 54.529 2.257 0.798 0.607 0.952 0.746 CB 1.606 64 residues pruned to eliminate duplicates Z: 69 56.770 2.261 0.820 0.570 0.956 0.735 CB 1.636 69 residues pruned to eliminate duplicates Z: 73 54.789 2.213 0.825 0.557 0.944 0.750 CB 1.601 73 residues pruned to eliminate duplicates Z: 21 29.527 2.164 0.964 0.521 0.950 0.750 CA 1.602 91 residues pruned to eliminate duplicates Z: 6 5.859 1.687 0.453 0.324 1.000 0.800 CB 1.296 6 residues pruned to eliminate duplicates Z: 37 40.849 2.149 1.035 0.617 0.917 0.667 CB 1.520 32 residues pruned to eliminate duplicates Z: 6 3.665 1.565 0.810 0.191 0.800 0.400 C 1.047 6 residues pruned to eliminate duplicates Z: 33 41.278 2.241 1.070 0.600 0.906 0.562 CB 1.578 33 residues pruned to eliminate duplicates Z: 42 45.152 2.238 1.068 0.633 0.878 0.610 CB 1.532 42 residues pruned to eliminate duplicates Z: 43 49.108 2.235 1.064 0.596 0.929 0.548 CB 1.613 43 residues pruned to eliminate duplicates Z: 32 49.602 2.269 1.172 0.642 0.968 0.581 CB 1.636 32 residues pruned to eliminate duplicates Z: 91 80.240 2.319 1.088 0.608 0.933 0.644 CB 1.689 91 residues pruned to eliminate duplicates Z: 31 39.705 2.257 1.053 0.620 0.867 0.667 CB 1.611 31 residues pruned to eliminate duplicates Z: 31 49.341 2.283 1.211 0.629 0.900 0.700 CB 1.756 31 residues pruned to eliminate duplicates Z: 33 43.862 2.219 1.200 0.614 0.938 0.594 CB 1.521 33 residues pruned to eliminate duplicates Z: 98 78.372 2.268 1.055 0.611 0.938 0.680 CB 1.638 98 residues pruned to eliminate duplicates Z: 18 43.364 2.379 1.346 0.671 0.941 0.529 CB 1.710 18 residues pruned to eliminate duplicates Z: 87 79.711 2.310 1.074 0.609 0.953 0.663 CB 1.697 87 residues pruned to eliminate duplicates Z: 93 73.494 2.266 1.079 0.589 0.913 0.630 CB 1.635 93 residues pruned to eliminate duplicates Z: 103 87.697 2.306 1.135 0.619 0.951 0.637 CB 1.657 103 residues pruned to eliminate duplicates Z: 44 41.951 2.175 1.014 0.585 0.884 0.674 CB 1.523 44 residues pruned to eliminate duplicates Z: 41 30.129 2.133 1.004 0.489 0.825 0.475 CB 1.365 41 residues pruned to eliminate duplicates Z: 41 52.310 2.218 1.165 0.675 0.925 0.575 CB 1.584 46 residues pruned to eliminate duplicates Z: 15 38.582 2.167 1.079 0.837 1.000 0.857 CA 1.712 15 residues pruned to eliminate duplicates Z: 29 27.581 2.079 0.837 0.596 0.857 0.643 CB 1.453 29 residues pruned to eliminate duplicates Z: 43 48.064 2.234 1.053 0.573 0.929 0.571 CB 1.623 43 residues pruned to eliminate duplicates Z: 13 16.083 2.042 0.848 0.607 0.833 0.583 CB 1.334 13 residues pruned to eliminate duplicates Z: 38 39.248 2.200 1.055 0.557 0.865 0.541 CB 1.562 38 residues pruned to eliminate duplicates Z: 7 4.798 1.796 0.872 0.517 0.500 0.167 CB 1.145 7 residues pruned to eliminate duplicates Z: 20 11.980 1.908 0.810 0.345 0.895 0.158 CB 1.052 20 residues pruned to eliminate duplicates Z: 17 11.123 2.009 0.754 0.372 0.812 0.438 CB 1.114 17 residues pruned to eliminate duplicates Z: 16 10.229 1.979 0.833 0.384 0.800 0.200 CB 1.029 16 residues pruned to eliminate duplicates Z: 17 10.729 1.950 0.881 0.399 0.750 0.250 CB 1.085 17 residues pruned to eliminate duplicates Z: 10 9.211 2.120 1.212 0.389 0.778 0.333 CB 0.947 10 residues pruned to eliminate duplicates Z: 12 11.760 1.964 1.129 0.349 0.727 0.636 CA 1.374 12 residues pruned to eliminate duplicates Z: 66 66.661 2.284 1.089 0.587 0.969 0.708 CA 1.645 66 residues pruned to eliminate duplicates Z: 66 72.843 2.315 1.135 0.607 0.985 0.677 CA 1.678 66 residues pruned to eliminate duplicates Z: 79 63.854 2.276 0.997 0.587 0.897 0.628 CB 1.630 79 residues pruned to eliminate duplicates Z: 67 67.881 2.290 1.055 0.581 0.970 0.712 CA 1.694 67 residues pruned to eliminate duplicates Z: 59 63.852 2.345 0.991 0.613 0.948 0.707 CA 1.701 59 residues pruned to eliminate duplicates Z: 126 88.148 2.292 0.943 0.609 0.952 0.704 CB 1.676 126 residues pruned to eliminate duplicates Z: 117 90.396 2.296 0.934 0.609 0.966 0.733 CB 1.764 117 residues pruned to eliminate duplicates Z: 66 67.563 2.324 1.021 0.596 0.969 0.631 CB 1.680 66 residues pruned to eliminate duplicates Z: 59 75.939 2.345 1.153 0.640 1.000 0.759 CA 1.733 59 residues pruned to eliminate duplicates Z: 58 68.935 2.314 1.095 0.645 0.982 0.702 CA 1.675 58 residues pruned to eliminate duplicates Z: 65 64.138 2.287 0.994 0.610 0.953 0.703 CB 1.663 65 residues pruned to eliminate duplicates Z: 62 65.350 2.294 1.130 0.599 0.967 0.639 CB 1.612 62 residues pruned to eliminate duplicates Z: 8 18.105 2.272 0.663 0.630 1.000 0.714 CA 1.603 8 residues pruned to eliminate duplicates Z: 60 57.497 2.287 1.055 0.586 0.898 0.661 CA 1.633 60 residues pruned to eliminate duplicates Z: 120 80.333 2.313 0.885 0.568 0.908 0.689 CA 1.744 120 residues pruned to eliminate duplicates Z: 60 58.535 2.331 1.051 0.534 0.915 0.593 CA 1.685 60 residues pruned to eliminate duplicates Z: 51 39.867 2.181 0.684 0.566 0.880 0.640 CB 1.637 51 residues pruned to eliminate duplicates Z: 66 56.442 2.287 0.768 0.554 0.954 0.662 CB 1.722 66 residues pruned to eliminate duplicates Z: 70 57.879 2.288 0.737 0.545 0.942 0.638 CA 1.780 70 residues pruned to eliminate duplicates Z: 63 58.343 2.315 0.716 0.595 0.968 0.677 CB 1.759 63 residues pruned to eliminate duplicates Z: 61 62.478 2.314 0.826 0.605 0.967 0.700 CB 1.787 61 residues pruned to eliminate duplicates Z: 67 56.027 2.262 0.752 0.571 0.939 0.712 CB 1.730 67 residues pruned to eliminate duplicates Z: 63 56.914 2.264 0.783 0.577 0.968 0.726 CB 1.718 63 residues pruned to eliminate duplicates Z: 64 56.409 2.282 0.690 0.593 0.952 0.683 CB 1.771 64 residues pruned to eliminate duplicates Z: 67 57.443 2.285 0.718 0.578 0.955 0.697 CB 1.750 67 residues pruned to eliminate duplicates Z: 61 63.332 2.312 0.815 0.608 0.983 0.633 CB 1.788 61 residues pruned to eliminate duplicates Z: 74 46.352 2.230 0.690 0.520 0.890 0.658 CB 1.586 74 residues pruned to eliminate duplicates Z: 64 57.296 2.313 0.763 0.574 0.937 0.698 CB 1.760 64 residues pruned to eliminate duplicates Z: 66 55.893 2.273 0.717 0.565 0.954 0.692 CB 1.749 66 residues pruned to eliminate duplicates Z: 71 58.722 2.250 0.841 0.567 0.929 0.686 CB 1.711 71 residues pruned to eliminate duplicates Z: 66 59.159 2.306 0.757 0.593 0.954 0.708 CB 1.738 66 residues pruned to eliminate duplicates Z: 60 61.673 2.292 0.789 0.612 0.983 0.678 CA 1.791 60 residues pruned to eliminate duplicates Z: 42 41.443 2.184 0.691 0.620 0.951 0.659 CA 1.645 42 residues pruned to eliminate duplicates Z: 39 50.261 2.270 0.822 0.692 0.974 0.789 CA 1.699 39 residues pruned to eliminate duplicates Z: 66 54.982 2.246 0.838 0.553 0.923 0.646 CB 1.700 66 residues pruned to eliminate duplicates Z: 61 58.836 2.312 0.841 0.606 0.933 0.667 CB 1.729 61 residues pruned to eliminate duplicates Z: 66 60.052 2.292 0.749 0.591 0.969 0.600 CB 1.757 66 residues pruned to eliminate duplicates Z: 61 57.939 2.323 0.734 0.601 0.967 0.650 CB 1.745 61 residues pruned to eliminate duplicates Z: 61 63.558 2.332 0.874 0.606 0.933 0.667 CB 1.819 61 residues pruned to eliminate duplicates Z: 64 58.365 2.290 0.784 0.582 0.968 0.556 CB 1.718 64 residues pruned to eliminate duplicates Z: 68 58.382 2.249 0.792 0.567 0.955 0.627 CB 1.737 68 residues pruned to eliminate duplicates Z: 58 53.897 2.254 0.771 0.626 0.930 0.667 CB 1.708 58 residues pruned to eliminate duplicates Z: 57 57.305 2.252 0.806 0.625 0.982 0.714 CB 1.704 57 residues pruned to eliminate duplicates Z: 63 58.208 2.320 0.759 0.583 0.968 0.694 CB 1.727 63 residues pruned to eliminate duplicates Z: 65 61.618 2.329 0.836 0.588 0.953 0.656 CB 1.736 65 residues pruned to eliminate duplicates Z: 63 55.934 2.286 0.794 0.579 0.935 0.645 CB 1.716 63 residues pruned to eliminate duplicates Z: 51 44.406 2.151 0.689 0.608 0.940 0.700 CA 1.660 51 residues pruned to eliminate duplicates Z: 65 60.780 2.269 0.816 0.589 0.984 0.719 CB 1.720 65 residues pruned to eliminate duplicates Z: 63 61.369 2.304 0.836 0.592 0.952 0.645 CB 1.774 63 residues pruned to eliminate duplicates Z: 67 61.799 2.287 0.855 0.572 0.970 0.636 CB 1.725 67 residues pruned to eliminate duplicates Z: 64 62.149 2.305 0.868 0.575 0.968 0.667 CB 1.748 64 residues pruned to eliminate duplicates Z: 62 63.627 2.310 0.824 0.591 0.984 0.623 CB 1.803 62 residues pruned to eliminate duplicates Z: 62 65.651 2.331 0.878 0.593 0.984 0.672 CB 1.787 62 residues pruned to eliminate duplicates Z: 62 61.491 2.276 0.835 0.597 0.984 0.721 CB 1.747 62 residues pruned to eliminate duplicates Z: 95 69.770 2.216 0.873 0.629 0.936 0.617 CB 1.641 95 residues pruned to eliminate duplicates Z: 66 60.279 2.278 0.794 0.569 0.969 0.692 CA 1.765 66 residues pruned to eliminate duplicates Z: 65 64.716 2.332 0.854 0.592 0.969 0.688 CB 1.768 65 residues pruned to eliminate duplicates Z: 62 60.641 2.328 0.811 0.593 0.934 0.738 CB 1.803 62 residues pruned to eliminate duplicates Z: 67 59.742 2.272 0.836 0.565 0.970 0.621 CB 1.708 67 residues pruned to eliminate duplicates Z: 65 63.341 2.322 0.841 0.585 0.969 0.641 CB 1.763 65 residues pruned to eliminate duplicates Z: 64 63.494 2.305 0.838 0.598 0.968 0.762 CB 1.776 64 residues pruned to eliminate duplicates Z: 67 58.801 2.285 0.823 0.571 0.955 0.682 CB 1.700 67 residues pruned to eliminate duplicates Z: 62 60.120 2.317 0.835 0.592 0.951 0.754 CB 1.745 62 residues pruned to eliminate duplicates Z: 65 66.637 2.307 0.875 0.605 0.969 0.781 CB 1.800 65 residues pruned to eliminate duplicates Z: 65 60.358 2.290 0.835 0.590 0.938 0.766 CB 1.758 65 residues pruned to eliminate duplicates Z: 63 53.774 2.260 0.765 0.567 0.952 0.661 CB 1.686 63 residues pruned to eliminate duplicates Z: 57 63.615 2.297 0.766 0.659 1.000 0.768 CA 1.807 57 residues pruned to eliminate duplicates Z: 60 59.868 2.296 0.740 0.621 0.966 0.712 CA 1.802 60 residues pruned to eliminate duplicates Z: 117 86.446 2.293 0.939 0.602 0.940 0.681 CA 1.744 117 residues pruned to eliminate duplicates Z: 60 55.895 2.275 0.825 0.589 0.898 0.695 CB 1.793 60 residues pruned to eliminate duplicates Z: 61 54.640 2.269 0.793 0.574 0.933 0.667 CB 1.730 61 residues pruned to eliminate duplicates Z: 64 68.277 2.322 1.039 0.604 0.968 0.714 CA 1.700 64 residues pruned to eliminate duplicates Z: 65 51.645 2.209 0.786 0.550 0.922 0.656 CB 1.690 65 residues pruned to eliminate duplicates Z: 66 59.390 2.267 0.958 0.575 0.938 0.631 CA 1.645 66 residues pruned to eliminate duplicates Z: 64 68.837 2.329 0.998 0.619 0.968 0.730 CB 1.719 64 residues pruned to eliminate duplicates Z: 65 62.387 2.306 0.887 0.586 0.969 0.703 CA 1.702 65 residues pruned to eliminate duplicates Z: 70 67.721 2.289 1.068 0.581 0.957 0.725 CA 1.666 70 residues pruned to eliminate duplicates Z: 6 4.278 1.433 0.835 0.212 1.000 0.800 CA 1.022 Z: 6 6.217 1.836 1.450 0.322 1.000 0.600 CA 0.752 Z: 6 8.299 1.903 0.923 0.455 0.800 0.600 CA 1.328 6 residues pruned to eliminate duplicates Z: 66 61.968 2.299 0.915 0.586 0.985 0.677 CA 1.633 78 residues pruned to eliminate duplicates Z: 65 65.753 2.316 0.963 0.597 0.969 0.734 CA 1.702 65 residues pruned to eliminate duplicates Z: 66 66.564 2.313 1.052 0.574 0.954 0.692 CB 1.697 66 residues pruned to eliminate duplicates Z: 65 68.971 2.312 1.098 0.595 0.953 0.734 CB 1.703 65 residues pruned to eliminate duplicates Z: 18 31.888 2.207 1.030 0.790 1.000 0.647 CA 1.339 18 residues pruned to eliminate duplicates Z: 60 70.315 2.331 1.089 0.624 0.966 0.695 CA 1.731 60 residues pruned to eliminate duplicates Z: 66 62.440 2.258 1.054 0.591 0.938 0.646 CA 1.631 66 residues pruned to eliminate duplicates Z: 70 66.181 2.300 1.020 0.569 0.957 0.652 CB 1.677 70 residues pruned to eliminate duplicates Z: 65 67.259 2.338 1.018 0.602 0.953 0.688 CB 1.697 65 residues pruned to eliminate duplicates Z: 65 70.781 2.323 1.142 0.594 0.938 0.625 CA 1.733 65 residues pruned to eliminate duplicates Z: 65 64.194 2.301 1.045 0.586 0.922 0.656 CA 1.703 65 residues pruned to eliminate duplicates Z: 65 68.891 2.309 1.161 0.575 0.953 0.672 CA 1.684 65 residues pruned to eliminate duplicates Z: 67 68.499 2.293 1.081 0.585 0.970 0.697 CB 1.680 67 residues pruned to eliminate duplicates Z: 70 64.504 2.289 1.051 0.579 0.928 0.652 CB 1.653 70 residues pruned to eliminate duplicates Z: 58 61.817 2.310 1.028 0.614 0.965 0.684 CA 1.626 58 residues pruned to eliminate duplicates Z: 63 67.880 2.328 1.096 0.597 0.935 0.661 CB 1.722 63 residues pruned to eliminate duplicates Z: 63 65.250 2.316 1.005 0.584 0.968 0.694 CB 1.701 63 residues pruned to eliminate duplicates Z: 57 67.104 2.338 1.025 0.645 0.964 0.714 CA 1.715 57 residues pruned to eliminate duplicates Z: 67 65.944 2.294 1.054 0.588 0.955 0.667 CB 1.658 67 residues pruned to eliminate duplicates Z: 64 68.510 2.321 1.081 0.601 0.937 0.619 CB 1.733 64 residues pruned to eliminate duplicates Z: 42 49.633 2.272 1.199 0.594 0.927 0.707 CA 1.530 42 residues pruned to eliminate duplicates Z: 65 64.706 2.318 0.995 0.584 0.938 0.703 CA 1.721 65 residues pruned to eliminate duplicates Z: 56 69.360 2.349 1.040 0.647 0.982 0.727 CA 1.734 56 residues pruned to eliminate duplicates Z: 65 68.377 2.293 1.027 0.596 0.984 0.656 CA 1.705 65 residues pruned to eliminate duplicates Z: 62 65.927 2.332 0.880 0.605 0.984 0.689 CB 1.772 62 residues pruned to eliminate duplicates Z: 66 65.583 2.315 0.930 0.602 0.954 0.723 CB 1.732 66 residues pruned to eliminate duplicates Z: 82 54.201 2.177 0.836 0.547 0.914 0.580 CB 1.576 82 residues pruned to eliminate duplicates Z: 62 65.331 2.335 0.898 0.599 0.967 0.705 CB 1.775 62 residues pruned to eliminate duplicates Z: 64 65.695 2.296 0.885 0.600 0.968 0.730 CB 1.796 64 residues pruned to eliminate duplicates 449 residues left after pruning, divided into chains as follows: A: 42 B: 115 C: 35 D: 98 E: 40 F: 113 G: 6 CC for partial structure against native data = 37.61 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.446, Connect. = 0.719 for dens.mod. cycle 1 = 0.300, Contrast = 0.518, Connect. = 0.749 for dens.mod. cycle 2 = 0.300, Contrast = 0.613, Connect. = 0.781 for dens.mod. cycle 3 = 0.300, Contrast = 0.620, Connect. = 0.785 for dens.mod. cycle 4 = 0.300, Contrast = 0.630, Connect. = 0.788 for dens.mod. cycle 5 = 0.300, Contrast = 0.632, Connect. = 0.791 for dens.mod. cycle 6 = 0.300, Contrast = 0.636, Connect. = 0.792 for dens.mod. cycle 7 = 0.300, Contrast = 0.637, Connect. = 0.793 for dens.mod. cycle 8 = 0.300, Contrast = 0.639, Connect. = 0.794 for dens.mod. cycle 9 = 0.300, Contrast = 0.638, 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 0.737 0.735 0.736 0.758 0.742 0.741 0.743 0.735 0.705 0.892 0.897 0.911 0.904 0.916 0.900 0.900 0.914 0.905 0.880 N 6476 6450 6400 6652 6502 6187 6481 6453 6806 5969 Estimated mean FOM = 0.735 Pseudo-free CC = 75.94 % Best trace (cycle 1 with CC 39.86%) was saved as ./1vqs-1.8-parrot-noncs/1vqs-1.8-parrot-noncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 4.2 - Setup, data input and phasing 60.5 - FFTs and peak-searches 41.3 - Sphere of influence 0.7 - Rest of density modification 0.0 - Alpha-helix search 2038.2 - Tripeptide search 19375.6 - Chain tracing 0.0 - NCS analysis 74.5 - B-value refinement for trace 0.9 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 07:13:11 Total time: 21596.19 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 361.8 Used memory is bytes: 24657768