++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 00:47:45 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: ./2opl-1.5-parrot-noncs/2opl-1.5-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2opl-1.5-parrot-noncs/2opl-1.5-parrot-noncs.ins Phases from ./2opl-1.5-parrot-noncs/2opl-1.5-parrot-noncs.phi Native data from ./2opl-1.5-parrot-noncs/2opl-1.5-parrot-noncs.hkl Listing output to ./2opl-1.5-parrot-noncs/2opl-1.5-parrot-noncs.lst Phases output to ./2opl-1.5-parrot-noncs/2opl-1.5-parrot-noncs.phs Poly-Ala trace output to ./2opl-1.5-parrot-noncs/2opl-1.5-parrot-noncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 21 21 21 Allowed origin shift code: 4 60684 Reflections read from file ./2opl-1.5-parrot-noncs/2opl-1.5-parrot-noncs.phi 60684 Reflections read from file ./2opl-1.5-parrot-noncs/2opl-1.5-parrot-noncs.hkl 60684 Unique data, highest resolution = 1.500 Angstroms Anisotropic scaling: intensities multiplied by -0.000193h^2 +0.000014k^2 +0.000059l^2 +0.000000kl +0.000000hl +0.000000hk 45 Reflections with d > 1.700 and 0 in range 1.700 > d > 1.500 added Density sharpening factor set to 1.50 Fourier grid = 128 x 256 x 48 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 40 Extra Fourier layers will be generated <|E^2-1|> = 0.703 = 0.300, Contrast = 0.421, Connect. = 0.784 for dens.mod. cycle 1 = 0.300, Contrast = 0.506, Connect. = 0.798 for dens.mod. cycle 2 = 0.300, Contrast = 0.594, Connect. = 0.816 for dens.mod. cycle 3 = 0.300, Contrast = 0.615, Connect. = 0.821 for dens.mod. cycle 4 = 0.300, Contrast = 0.627, Connect. = 0.824 for dens.mod. cycle 5 = 0.300, Contrast = 0.635, Connect. = 0.825 for dens.mod. cycle 6 = 0.300, Contrast = 0.640, Connect. = 0.826 for dens.mod. cycle 7 = 0.300, Contrast = 0.644, Connect. = 0.827 for dens.mod. cycle 8 = 0.300, Contrast = 0.647, Connect. = 0.827 for dens.mod. cycle 9 = 0.300, Contrast = 0.649, Connect. = 0.828 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2590 peaks > 0.5 sigma used to seed fragment search Space for about 411 unique residues taking solvent into account 528 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 25 66.576 2.405 1.139 0.934 1.000 0.917 CB 1.842 B: 25 70.323 2.393 1.234 0.947 1.000 0.875 CB 1.857 25 residues pruned to eliminate duplicates C: 28 62.730 2.338 1.195 0.927 1.000 0.778 CB 1.648 D: 26 65.829 2.393 1.125 0.947 1.000 0.880 CB 1.789 26 residues pruned to eliminate duplicates E: 27 51.108 2.289 0.895 0.932 1.000 0.846 CB 1.614 27 residues pruned to eliminate duplicates F: 9 40.836 2.530 0.970 0.900 1.000 1.000 CA 2.069 G: 25 66.944 2.496 1.023 0.946 1.000 0.958 CB 1.871 26 residues pruned to eliminate duplicates H: 21 66.951 2.492 1.267 0.953 1.000 0.850 CB 1.824 21 residues pruned to eliminate duplicates I: 25 63.431 2.383 1.100 0.948 1.000 0.958 CB 1.787 25 residues pruned to eliminate duplicates J: 25 70.084 2.395 1.286 0.951 1.000 0.833 CB 1.800 25 residues pruned to eliminate duplicates K: 9 35.234 2.537 0.792 0.884 1.000 0.875 CA 1.980 9 residues pruned to eliminate duplicates L: 27 57.672 2.273 1.138 0.930 1.000 0.769 CB 1.628 27 residues pruned to eliminate duplicates M: 26 56.645 2.359 0.963 0.936 0.960 0.880 CB 1.774 26 residues pruned to eliminate duplicates N: 24 78.480 2.479 1.430 0.953 1.000 0.783 CB 1.870 24 residues pruned to eliminate duplicates O: 27 50.899 2.342 0.937 0.942 0.962 0.846 CB 1.587 27 residues pruned to eliminate duplicates P: 12 17.982 2.323 1.190 0.453 0.727 0.545 CB 1.537 Q: 25 64.258 2.381 1.031 0.950 1.000 0.875 CB 1.871 25 residues pruned to eliminate duplicates R: 25 60.712 2.387 0.993 0.943 1.000 0.875 CB 1.805 25 residues pruned to eliminate duplicates S: 9 41.348 2.499 1.189 0.897 1.000 0.875 CB 1.913 9 residues pruned to eliminate duplicates T: 26 65.240 2.416 1.092 0.941 1.000 0.920 CB 1.791 26 residues pruned to eliminate duplicates U: 27 54.158 2.244 1.114 0.906 1.000 0.808 CB 1.592 27 residues pruned to eliminate duplicates V: 25 73.353 2.379 1.405 0.953 1.000 0.792 CB 1.801 25 residues pruned to eliminate duplicates W: 107 94.096 2.350 1.097 0.656 0.972 0.755 CB 1.651 25 residues pruned to eliminate duplicates X: 10 30.488 2.224 0.919 0.888 1.000 1.000 CA 1.716 10 residues pruned to eliminate duplicates Y: 41 32.885 2.189 0.947 0.412 0.925 0.500 CB 1.445 16 residues pruned to eliminate duplicates Z: 31 63.957 2.339 1.231 0.727 1.000 0.667 CB 1.823 Z: 125 96.748 2.342 1.126 0.617 0.952 0.694 CB 1.641 125 residues pruned to eliminate duplicates Z: 26 61.009 2.394 1.024 0.949 1.000 0.880 CB 1.738 26 residues pruned to eliminate duplicates Z: 36 36.575 2.173 0.777 0.565 0.971 0.686 CB 1.548 Z: 15 34.119 2.237 0.567 0.933 1.000 0.929 C 1.815 15 residues pruned to eliminate duplicates Z: 16 34.923 2.144 0.688 0.944 1.000 1.000 C 1.725 16 residues pruned to eliminate duplicates Z: 9 31.285 2.238 1.110 0.861 1.000 0.750 CB 1.721 9 residues pruned to eliminate duplicates Z: 124 96.582 2.357 1.121 0.619 0.943 0.707 CB 1.650 124 residues pruned to eliminate duplicates Z: 91 78.630 2.355 1.133 0.597 0.944 0.689 CB 1.593 91 residues pruned to eliminate duplicates Z: 9 23.760 2.324 0.483 0.899 1.000 1.000 CA 1.743 9 residues pruned to eliminate duplicates Z: 27 61.405 2.381 1.079 0.948 1.000 1.000 CB 1.680 27 residues pruned to eliminate duplicates Z: 15 30.980 2.223 0.429 0.932 1.000 1.000 C 1.821 15 residues pruned to eliminate duplicates Z: 73 49.916 2.164 0.890 0.568 0.917 0.722 CB 1.469 58 residues pruned to eliminate duplicates Z: 125 102.084 2.357 1.122 0.647 0.960 0.758 CB 1.666 139 residues pruned to eliminate duplicates Z: 25 33.477 2.138 0.737 0.861 0.875 0.833 CB 1.546 25 residues pruned to eliminate duplicates Z: 25 65.977 2.397 1.134 0.946 1.000 0.917 CB 1.821 25 residues pruned to eliminate duplicates Z: 10 20.471 2.211 1.488 0.550 0.778 0.667 CB 1.519 Z: 28 66.092 2.293 1.167 0.929 1.000 0.852 CB 1.791 28 residues pruned to eliminate duplicates Z: 37 62.849 2.358 1.109 0.688 1.000 0.806 CB 1.772 32 residues pruned to eliminate duplicates Z: 16 33.565 2.323 0.546 0.912 1.000 1.000 CB 1.710 16 residues pruned to eliminate duplicates Z: 25 62.141 2.467 0.922 0.960 1.000 0.958 CB 1.832 25 residues pruned to eliminate duplicates Z: 25 69.320 2.425 1.260 0.943 1.000 0.833 CB 1.789 25 residues pruned to eliminate duplicates Z: 31 53.023 2.274 1.266 0.698 0.933 0.800 CB 1.681 31 residues pruned to eliminate duplicates Z: 19 23.618 2.153 1.009 0.581 0.889 0.722 CB 1.340 Z: 53 44.967 2.209 0.848 0.559 0.942 0.750 CB 1.531 45 residues pruned to eliminate duplicates Z: 26 32.407 2.337 1.288 0.432 0.880 0.600 CB 1.478 10 residues pruned to eliminate duplicates Z: 23 81.881 2.495 1.520 0.946 1.000 1.000 CB 1.919 23 residues pruned to eliminate duplicates Z: 27 65.737 2.349 1.185 0.939 1.000 0.846 CB 1.746 27 residues pruned to eliminate duplicates Z: 37 63.010 2.355 1.273 0.658 0.944 0.667 CB 1.795 37 residues pruned to eliminate duplicates Z: 41 33.163 2.158 0.939 0.442 0.925 0.500 CB 1.438 26 residues pruned to eliminate duplicates Z: 9 28.293 2.278 0.728 0.908 1.000 1.000 CB 1.804 9 residues pruned to eliminate duplicates Z: 6 6.957 1.792 0.609 0.730 0.800 0.800 CB 1.097 6 residues pruned to eliminate duplicates Z: 15 30.671 2.194 0.525 0.924 1.000 1.000 CB 1.721 15 residues pruned to eliminate duplicates Z: 26 65.476 2.415 1.077 0.951 1.000 0.840 CB 1.800 26 residues pruned to eliminate duplicates Z: 15 29.665 2.236 0.664 0.913 0.929 0.786 CB 1.624 15 residues pruned to eliminate duplicates Z: 9 28.989 2.483 0.529 0.887 1.000 0.875 CA 1.947 9 residues pruned to eliminate duplicates Z: 51 61.434 2.347 0.934 0.644 1.000 0.780 CB 1.673 53 residues pruned to eliminate duplicates Z: 26 66.966 2.422 1.240 0.945 0.960 0.880 CB 1.780 26 residues pruned to eliminate duplicates Z: 41 33.159 2.188 1.044 0.364 0.900 0.550 CB 1.507 41 residues pruned to eliminate duplicates Z: 25 57.278 2.364 0.909 0.934 1.000 0.917 CB 1.807 25 residues pruned to eliminate duplicates Z: 52 56.033 2.309 0.933 0.603 0.961 0.706 CB 1.659 52 residues pruned to eliminate duplicates Z: 11 20.497 2.472 1.244 0.421 0.800 0.500 CB 1.586 11 residues pruned to eliminate duplicates Z: 27 62.349 2.357 1.170 0.947 0.962 0.731 CB 1.718 27 residues pruned to eliminate duplicates Z: 13 20.826 2.086 0.438 0.909 0.833 0.750 N 1.707 13 residues pruned to eliminate duplicates Z: 16 42.163 2.243 0.936 0.921 1.000 0.933 CB 1.764 16 residues pruned to eliminate duplicates Z: 43 52.429 2.245 1.130 0.594 0.929 0.690 CB 1.666 43 residues pruned to eliminate duplicates Z: 17 36.445 2.224 0.742 0.871 1.000 0.750 CB 1.715 17 residues pruned to eliminate duplicates Z: 17 32.121 2.204 0.571 0.890 1.000 0.875 CB 1.668 17 residues pruned to eliminate duplicates Z: 90 65.832 2.276 1.058 0.577 0.921 0.618 CB 1.502 87 residues pruned to eliminate duplicates Z: 60 61.587 2.351 0.952 0.639 0.915 0.644 CB 1.676 60 residues pruned to eliminate duplicates Z: 37 66.102 2.372 1.290 0.692 0.972 0.722 CB 1.750 37 residues pruned to eliminate duplicates Z: 17 40.553 2.253 0.951 0.897 1.000 0.812 CB 1.651 17 residues pruned to eliminate duplicates Z: 25 71.023 2.391 1.287 0.946 1.000 0.833 CB 1.833 25 residues pruned to eliminate duplicates Z: 24 68.328 2.387 1.233 0.944 1.000 0.870 C 1.851 24 residues pruned to eliminate duplicates Z: 10 35.835 2.327 1.023 0.868 1.000 0.778 CB 1.855 10 residues pruned to eliminate duplicates Z: 13 23.346 2.165 0.961 0.582 0.917 0.667 CB 1.601 Z: 52 63.681 2.261 1.185 0.740 0.941 0.745 CB 1.546 52 residues pruned to eliminate duplicates Z: 27 74.557 2.392 1.356 0.941 1.000 0.962 CB 1.801 27 residues pruned to eliminate duplicates Z: 16 33.614 2.162 0.905 0.900 1.000 0.867 CB 1.506 16 residues pruned to eliminate duplicates Z: 12 19.291 2.239 1.370 0.446 0.818 0.545 CB 1.416 12 residues pruned to eliminate duplicates Z: 26 57.908 2.378 0.905 0.951 1.000 0.840 CB 1.762 26 residues pruned to eliminate duplicates Z: 53 54.715 2.253 0.955 0.587 0.981 0.712 CB 1.617 53 residues pruned to eliminate duplicates Z: 9 35.640 2.415 1.043 0.904 1.000 1.000 CA 1.818 9 residues pruned to eliminate duplicates Z: 25 71.202 2.396 1.250 0.946 1.000 0.875 C 1.864 25 residues pruned to eliminate duplicates Z: 16 36.027 2.275 0.863 0.876 1.000 0.800 CB 1.596 16 residues pruned to eliminate duplicates Z: 16 33.757 2.124 0.645 0.943 1.000 0.867 C 1.729 16 residues pruned to eliminate duplicates Z: 22 27.515 2.203 1.029 0.467 0.857 0.619 CB 1.620 22 residues pruned to eliminate duplicates Z: 51 55.530 2.298 0.932 0.615 0.980 0.740 CB 1.619 51 residues pruned to eliminate duplicates Z: 27 60.995 2.282 1.222 0.932 1.000 0.808 CB 1.647 27 residues pruned to eliminate duplicates Z: 17 32.233 2.174 0.890 0.849 0.938 0.750 CB 1.551 17 residues pruned to eliminate duplicates Z: 52 58.554 2.317 0.958 0.593 0.980 0.765 CB 1.686 52 residues pruned to eliminate duplicates Z: 19 29.079 2.009 0.644 0.868 1.000 0.778 CB 1.517 19 residues pruned to eliminate duplicates Z: 26 63.762 2.387 1.075 0.929 1.000 0.760 CB 1.802 26 residues pruned to eliminate duplicates Z: 42 53.794 2.268 0.980 0.673 0.951 0.732 CB 1.677 42 residues pruned to eliminate duplicates Z: 31 57.667 2.330 1.121 0.726 1.000 0.833 CB 1.738 31 residues pruned to eliminate duplicates Z: 25 57.658 2.366 1.001 0.935 0.958 0.917 CB 1.808 25 residues pruned to eliminate duplicates Z: 17 37.631 2.223 0.891 0.890 1.000 0.750 CB 1.610 17 residues pruned to eliminate duplicates Z: 28 62.456 2.321 1.177 0.927 1.000 0.889 CB 1.667 28 residues pruned to eliminate duplicates Z: 108 87.997 2.309 1.086 0.657 0.963 0.729 CB 1.585 108 residues pruned to eliminate duplicates Z: 26 65.709 2.420 1.102 0.946 1.000 0.960 CB 1.787 26 residues pruned to eliminate duplicates Z: 26 66.092 2.434 1.141 0.948 1.000 0.880 CB 1.751 26 residues pruned to eliminate duplicates Z: 10 30.601 2.257 0.915 0.908 1.000 1.000 CA 1.676 10 residues pruned to eliminate duplicates Z: 93 79.588 2.317 1.124 0.645 0.924 0.761 CB 1.594 93 residues pruned to eliminate duplicates Z: 127 93.068 2.322 1.038 0.639 0.944 0.746 CB 1.629 127 residues pruned to eliminate duplicates Z: 18 19.254 2.061 0.930 0.511 0.824 0.529 CB 1.410 18 residues pruned to eliminate duplicates Z: 17 39.193 2.235 0.870 0.858 1.000 0.750 CB 1.727 17 residues pruned to eliminate duplicates Z: 16 29.167 2.121 1.065 0.658 1.000 0.733 CB 1.485 13 residues pruned to eliminate duplicates Z: 7 13.667 2.109 0.423 0.863 1.000 0.500 CA 1.364 7 residues pruned to eliminate duplicates Z: 15 45.064 2.217 1.100 0.942 1.000 0.929 CB 1.794 15 residues pruned to eliminate duplicates Z: 17 38.641 2.263 0.878 0.870 1.000 0.750 CB 1.659 17 residues pruned to eliminate duplicates Z: 13 20.536 2.253 1.208 0.414 0.750 0.500 CA 1.738 13 residues pruned to eliminate duplicates Z: 25 73.151 2.371 1.393 0.950 1.000 0.833 C 1.815 25 residues pruned to eliminate duplicates Z: 51 54.630 2.313 0.877 0.594 1.000 0.740 CB 1.628 51 residues pruned to eliminate duplicates Z: 52 54.992 2.289 0.968 0.611 0.961 0.765 CB 1.602 52 residues pruned to eliminate duplicates Z: 15 34.105 2.234 0.589 0.942 1.000 0.929 C 1.781 15 residues pruned to eliminate duplicates Z: 37 63.186 2.360 1.210 0.689 0.972 0.583 CB 1.747 36 residues pruned to eliminate duplicates Z: 17 28.118 2.060 0.424 0.930 1.000 0.938 C 1.676 17 residues pruned to eliminate duplicates Z: 52 51.674 2.287 0.839 0.598 0.961 0.745 CB 1.631 52 residues pruned to eliminate duplicates Z: 9 31.419 2.382 0.953 0.900 1.000 1.000 CA 1.706 9 residues pruned to eliminate duplicates Z: 6 9.403 2.301 -0.001 0.852 0.800 0.600 CB 1.691 6 residues pruned to eliminate duplicates Z: 24 24.340 2.009 0.841 0.612 0.957 0.652 CB 1.291 24 residues pruned to eliminate duplicates Z: 145 89.426 2.312 0.958 0.588 0.944 0.715 CB 1.603 145 residues pruned to eliminate duplicates Z: 51 63.559 2.369 0.998 0.652 0.960 0.740 CB 1.717 71 residues pruned to eliminate duplicates Z: 25 72.438 2.378 1.369 0.946 1.000 0.875 C 1.816 25 residues pruned to eliminate duplicates Z: 27 66.732 2.378 1.208 0.947 1.000 0.769 CB 1.723 27 residues pruned to eliminate duplicates Z: 11 15.745 1.858 0.681 0.757 1.000 0.700 CB 1.268 Z: 27 63.465 2.358 1.129 0.943 1.000 0.923 CB 1.717 27 residues pruned to eliminate duplicates Z: 17 32.725 2.171 0.859 0.855 0.938 0.750 CB 1.595 17 residues pruned to eliminate duplicates Z: 9 15.907 2.051 0.559 0.870 0.875 0.750 CB 1.467 9 residues pruned to eliminate duplicates Z: 16 33.054 2.119 0.730 0.932 1.000 0.933 C 1.626 16 residues pruned to eliminate duplicates Z: 17 32.665 2.156 0.786 0.849 0.938 0.750 C 1.676 17 residues pruned to eliminate duplicates Z: 21 60.708 2.476 1.076 0.930 1.000 1.000 CB 1.846 21 residues pruned to eliminate duplicates Z: 28 57.303 2.285 1.205 0.934 0.963 0.815 CB 1.585 28 residues pruned to eliminate duplicates Z: 25 70.086 2.382 1.307 0.936 1.000 0.833 C 1.813 25 residues pruned to eliminate duplicates Z: 25 73.677 2.499 1.175 0.955 1.000 0.958 CB 1.902 25 residues pruned to eliminate duplicates Z: 25 78.812 2.509 1.293 0.959 1.000 1.000 CB 1.918 25 residues pruned to eliminate duplicates Z: 27 55.402 2.365 1.033 0.921 0.962 0.769 CB 1.654 27 residues pruned to eliminate duplicates Z: 16 40.618 2.098 1.012 0.927 1.000 1.000 CA 1.741 16 residues pruned to eliminate duplicates Z: 29 57.537 2.263 1.145 0.922 0.964 0.857 CB 1.633 29 residues pruned to eliminate duplicates Z: 42 57.962 2.291 1.072 0.773 0.927 0.780 CB 1.616 42 residues pruned to eliminate duplicates Z: 105 96.158 2.341 1.143 0.678 0.971 0.779 CB 1.642 105 residues pruned to eliminate duplicates Z: 28 51.595 2.159 1.103 0.921 1.000 0.815 CB 1.539 28 residues pruned to eliminate duplicates Z: 17 35.035 2.262 0.814 0.883 1.000 0.875 CB 1.543 17 residues pruned to eliminate duplicates Z: 145 93.178 2.302 1.074 0.595 0.938 0.708 CB 1.584 145 residues pruned to eliminate duplicates Z: 53 59.253 2.246 1.125 0.611 0.962 0.731 CB 1.611 52 residues pruned to eliminate duplicates Z: 9 35.018 2.458 0.899 0.883 1.000 0.875 CA 1.919 9 residues pruned to eliminate duplicates Z: 11 15.673 2.306 1.210 0.428 0.700 0.600 CB 1.498 11 residues pruned to eliminate duplicates Z: 17 37.040 2.168 1.063 0.885 0.938 0.875 CB 1.595 17 residues pruned to eliminate duplicates Z: 25 61.914 2.459 0.955 0.958 1.000 0.917 CB 1.803 25 residues pruned to eliminate duplicates Z: 14 18.646 2.285 1.031 0.480 0.846 0.615 CB 1.344 14 residues pruned to eliminate duplicates Z: 13 11.776 2.103 0.709 0.431 0.750 0.500 CB 1.354 13 residues pruned to eliminate duplicates Z: 96 88.555 2.332 1.064 0.651 0.937 0.747 CB 1.750 97 residues pruned to eliminate duplicates Z: 48 62.195 2.330 1.280 0.602 0.915 0.660 CB 1.694 49 residues pruned to eliminate duplicates Z: 21 18.185 2.078 0.815 0.330 0.900 0.550 CB 1.444 21 residues pruned to eliminate duplicates Z: 9 4.735 1.490 0.550 0.311 0.875 0.375 CA 1.021 9 residues pruned to eliminate duplicates Z: 24 78.409 2.494 1.366 0.958 1.000 1.000 CB 1.901 24 residues pruned to eliminate duplicates Z: 10 31.423 2.164 1.258 0.911 0.889 0.778 CB 1.709 10 residues pruned to eliminate duplicates Z: 24 59.402 2.394 1.042 0.951 1.000 1.000 CB 1.746 24 residues pruned to eliminate duplicates Z: 61 68.302 2.337 1.123 0.669 0.900 0.667 CB 1.689 61 residues pruned to eliminate duplicates Z: 26 70.931 2.416 1.244 0.942 1.000 0.880 CB 1.815 26 residues pruned to eliminate duplicates Z: 50 64.586 2.341 1.035 0.751 0.980 0.755 CB 1.580 50 residues pruned to eliminate duplicates Z: 41 40.881 2.100 1.054 0.573 0.900 0.675 CB 1.552 41 residues pruned to eliminate duplicates Z: 9 14.620 1.730 1.006 0.882 1.000 1.000 CB 1.078 9 residues pruned to eliminate duplicates Z: 11 25.187 2.319 1.130 0.502 0.900 0.600 C 1.787 11 residues pruned to eliminate duplicates Z: 67 62.505 2.230 1.036 0.670 0.894 0.667 CB 1.621 67 residues pruned to eliminate duplicates Z: 31 30.918 2.029 1.045 0.526 0.933 0.700 CB 1.421 31 residues pruned to eliminate duplicates Z: 17 24.574 2.057 1.027 0.646 0.938 0.875 CB 1.372 28 residues pruned to eliminate duplicates Z: 16 25.403 2.061 0.460 0.900 0.933 0.800 C 1.668 16 residues pruned to eliminate duplicates Z: 6 15.850 2.237 0.465 0.813 1.000 0.400 CA 1.647 6 residues pruned to eliminate duplicates Z: 41 66.080 2.281 1.220 0.776 0.925 0.775 CB 1.748 41 residues pruned to eliminate duplicates Z: 15 37.805 2.333 0.727 0.936 1.000 0.929 CB 1.746 15 residues pruned to eliminate duplicates Z: 15 33.678 2.271 0.771 0.897 1.000 0.857 CB 1.602 15 residues pruned to eliminate duplicates Z: 52 50.966 2.273 0.850 0.598 0.961 0.725 CB 1.609 52 residues pruned to eliminate duplicates Z: 16 29.956 2.092 0.634 0.915 1.000 0.933 C 1.600 16 residues pruned to eliminate duplicates Z: 9 30.336 2.293 0.984 0.902 1.000 1.000 CA 1.681 9 residues pruned to eliminate duplicates Z: 6 7.986 1.760 0.875 0.483 0.800 0.800 N 1.376 6 residues pruned to eliminate duplicates Z: 24 62.064 2.475 1.002 0.949 1.000 0.913 CB 1.803 24 residues pruned to eliminate duplicates Z: 16 28.064 2.205 0.453 0.918 1.000 0.800 CB 1.595 16 residues pruned to eliminate duplicates Z: 36 61.755 2.361 1.166 0.711 0.971 0.686 CB 1.735 36 residues pruned to eliminate duplicates Z: 10 24.026 2.221 0.739 0.817 1.000 0.778 CB 1.575 10 residues pruned to eliminate duplicates Z: 22 31.229 2.232 1.027 0.476 0.905 0.381 CB 1.706 22 residues pruned to eliminate duplicates Z: 25 71.651 2.367 1.405 0.939 1.000 0.875 C 1.786 25 residues pruned to eliminate duplicates Z: 10 14.048 1.842 0.425 0.892 1.000 0.556 C 1.282 10 residues pruned to eliminate duplicates Z: 65 74.822 2.385 1.208 0.660 0.906 0.703 CB 1.689 65 residues pruned to eliminate duplicates Z: 36 59.830 2.424 0.971 0.689 0.971 0.743 CB 1.833 36 residues pruned to eliminate duplicates Z: 42 58.349 2.275 1.129 0.708 0.976 0.683 CB 1.596 42 residues pruned to eliminate duplicates Z: 16 31.750 2.108 1.124 0.701 1.000 0.600 CB 1.524 16 residues pruned to eliminate duplicates Z: 126 97.997 2.327 1.091 0.636 0.968 0.744 CB 1.637 124 residues pruned to eliminate duplicates Z: 10 29.702 2.271 0.921 0.791 1.000 0.667 C 1.757 10 residues pruned to eliminate duplicates Z: 15 41.309 2.206 0.970 0.946 1.000 1.000 C 1.756 15 residues pruned to eliminate duplicates Z: 27 12.315 1.420 0.607 0.707 0.962 0.615 CB 0.912 Z: 18 18.373 2.006 1.010 0.507 0.941 0.765 CB 1.166 18 residues pruned to eliminate duplicates Z: 88 58.922 2.264 1.056 0.525 0.851 0.621 CB 1.556 88 residues pruned to eliminate duplicates Z: 15 34.186 2.212 0.619 0.943 1.000 0.929 C 1.767 15 residues pruned to eliminate duplicates Z: 15 36.870 2.221 0.781 0.938 1.000 1.000 C 1.733 15 residues pruned to eliminate duplicates Z: 42 48.291 2.228 1.035 0.646 0.927 0.756 CB 1.566 42 residues pruned to eliminate duplicates Z: 124 102.492 2.361 1.150 0.638 0.967 0.740 CB 1.654 125 residues pruned to eliminate duplicates Z: 41 53.571 2.317 0.932 0.672 0.975 0.775 CB 1.656 41 residues pruned to eliminate duplicates Z: 37 58.759 2.375 1.135 0.694 0.944 0.722 CB 1.713 37 residues pruned to eliminate duplicates Z: 107 86.668 2.372 1.006 0.629 0.962 0.717 CB 1.628 107 residues pruned to eliminate duplicates Z: 111 93.550 2.342 1.164 0.626 0.964 0.727 CB 1.621 111 residues pruned to eliminate duplicates Z: 123 96.222 2.357 1.162 0.624 0.918 0.697 CB 1.656 123 residues pruned to eliminate duplicates Z: 16 28.637 2.145 0.585 0.923 1.000 0.933 CB 1.529 16 residues pruned to eliminate duplicates Z: 79 75.247 2.313 0.908 0.655 0.962 0.731 CB 1.739 79 residues pruned to eliminate duplicates Z: 28 64.379 2.300 1.240 0.916 1.000 0.778 CB 1.698 28 residues pruned to eliminate duplicates Z: 27 66.884 2.283 1.362 0.932 1.000 0.923 CB 1.699 27 residues pruned to eliminate duplicates Z: 16 36.282 2.298 0.779 0.929 1.000 0.867 CB 1.604 16 residues pruned to eliminate duplicates Z: 52 55.171 2.305 0.918 0.600 0.980 0.784 CB 1.620 52 residues pruned to eliminate duplicates Z: 15 24.615 2.251 0.303 0.904 1.000 1.000 CB 1.597 15 residues pruned to eliminate duplicates Z: 96 87.621 2.314 1.108 0.632 0.947 0.716 CB 1.719 96 residues pruned to eliminate duplicates Z: 25 65.048 2.350 1.183 0.938 1.000 0.875 CB 1.800 25 residues pruned to eliminate duplicates Z: 38 55.578 2.352 0.968 0.685 0.973 0.703 CB 1.712 38 residues pruned to eliminate duplicates Z: 41 36.705 2.181 0.822 0.529 0.875 0.600 CB 1.622 41 residues pruned to eliminate duplicates Z: 51 65.716 2.304 1.112 0.640 1.000 0.840 CB 1.675 53 residues pruned to eliminate duplicates Z: 9 28.602 2.450 0.675 0.879 1.000 1.000 CB 1.787 9 residues pruned to eliminate duplicates Z: 114 94.188 2.361 1.127 0.605 0.965 0.735 CB 1.655 115 residues pruned to eliminate duplicates Z: 16 31.732 2.082 0.692 0.899 1.000 0.800 C 1.663 16 residues pruned to eliminate duplicates Z: 38 44.346 2.182 0.810 0.684 0.919 0.730 CB 1.697 38 residues pruned to eliminate duplicates Z: 16 33.828 2.125 0.879 0.905 0.933 0.933 C 1.669 16 residues pruned to eliminate duplicates Z: 17 23.410 2.079 0.926 0.674 0.938 0.812 CB 1.328 44 residues pruned to eliminate duplicates Z: 130 94.746 2.306 1.100 0.623 0.946 0.721 CB 1.623 130 residues pruned to eliminate duplicates Z: 27 66.360 2.359 1.348 0.931 0.962 0.769 CB 1.707 27 residues pruned to eliminate duplicates Z: 60 69.951 2.347 1.212 0.664 0.898 0.678 CB 1.677 60 residues pruned to eliminate duplicates Z: 35 19.514 1.602 0.763 0.634 0.941 0.529 CB 1.110 35 residues pruned to eliminate duplicates Z: 63 68.055 2.315 1.182 0.654 0.968 0.710 CB 1.532 63 residues pruned to eliminate duplicates Z: 104 91.878 2.324 1.076 0.673 0.981 0.748 CB 1.632 104 residues pruned to eliminate duplicates Z: 26 68.148 2.437 1.322 0.949 0.960 0.880 CB 1.731 26 residues pruned to eliminate duplicates Z: 72 68.633 2.331 1.040 0.623 0.944 0.718 CB 1.617 72 residues pruned to eliminate duplicates Z: 42 57.429 2.272 1.109 0.625 0.976 0.732 CB 1.705 42 residues pruned to eliminate duplicates Z: 9 41.059 2.419 1.281 0.850 1.000 0.625 CA 1.949 9 residues pruned to eliminate duplicates Z: 33 75.276 2.395 1.373 0.860 0.969 0.812 CB 1.778 33 residues pruned to eliminate duplicates Z: 71 69.784 2.291 1.155 0.618 0.943 0.643 CB 1.603 71 residues pruned to eliminate duplicates Z: 14 25.805 2.000 0.991 0.835 0.923 0.692 C 1.459 14 residues pruned to eliminate duplicates Z: 25 74.403 2.409 1.348 0.946 1.000 0.917 C 1.856 25 residues pruned to eliminate duplicates Z: 26 25.826 2.169 0.974 0.446 0.920 0.560 CB 1.386 26 residues pruned to eliminate duplicates Z: 16 32.873 2.150 0.583 0.949 1.000 1.000 CA 1.720 16 residues pruned to eliminate duplicates Z: 16 41.125 2.128 0.979 0.919 1.000 1.000 C 1.777 16 residues pruned to eliminate duplicates Z: 10 29.606 2.205 0.932 0.895 1.000 0.889 CA 1.661 10 residues pruned to eliminate duplicates Z: 42 52.418 2.215 0.881 0.685 1.000 0.732 CB 1.658 42 residues pruned to eliminate duplicates Z: 42 53.622 2.255 0.901 0.671 1.000 0.756 CB 1.668 42 residues pruned to eliminate duplicates Z: 7 5.695 1.714 0.414 0.449 0.833 0.333 CB 1.214 7 residues pruned to eliminate duplicates Z: 11 15.437 2.149 1.081 0.480 0.800 0.600 CB 1.393 11 residues pruned to eliminate duplicates Z: 7 6.779 2.011 0.562 0.721 0.500 0.333 CA 1.443 7 residues pruned to eliminate duplicates Z: 107 85.340 2.295 1.070 0.643 0.953 0.774 CB 1.602 107 residues pruned to eliminate duplicates Z: 41 50.234 2.188 1.107 0.635 0.975 0.800 CB 1.557 41 residues pruned to eliminate duplicates Z: 19 13.872 1.875 0.852 0.570 0.944 0.611 CB 0.932 19 residues pruned to eliminate duplicates Z: 44 51.775 2.201 1.107 0.610 0.930 0.721 CB 1.648 44 residues pruned to eliminate duplicates Z: 7 9.546 2.091 0.643 0.661 0.667 0.333 CA 1.466 7 residues pruned to eliminate duplicates Z: 27 58.726 2.252 1.192 0.930 1.000 0.923 CB 1.632 27 residues pruned to eliminate duplicates Z: 138 73.277 2.240 0.991 0.535 0.898 0.569 CB 1.510 138 residues pruned to eliminate duplicates Z: 35 26.059 2.207 0.798 0.365 0.912 0.441 CB 1.428 35 residues pruned to eliminate duplicates Z: 75 67.203 2.257 1.099 0.646 0.932 0.676 CB 1.544 75 residues pruned to eliminate duplicates Z: 19 24.298 2.241 0.714 0.452 0.944 0.611 CB 1.659 19 residues pruned to eliminate duplicates Z: 25 70.641 2.357 1.376 0.938 1.000 0.792 C 1.791 25 residues pruned to eliminate duplicates Z: 10 24.394 2.261 1.268 0.567 0.889 0.667 CA 1.672 10 residues pruned to eliminate duplicates Z: 25 73.562 2.411 1.332 0.942 1.000 0.875 C 1.852 25 residues pruned to eliminate duplicates Z: 25 77.319 2.395 1.460 0.954 1.000 0.875 C 1.842 25 residues pruned to eliminate duplicates Z: 16 28.931 2.193 0.857 0.847 0.933 0.667 CB 1.458 16 residues pruned to eliminate duplicates Z: 18 30.586 2.117 0.451 0.937 1.000 0.941 CB 1.680 18 residues pruned to eliminate duplicates Z: 48 55.635 2.238 0.851 0.668 1.000 0.745 CB 1.676 48 residues pruned to eliminate duplicates Z: 49 69.105 2.364 1.215 0.681 0.938 0.750 CB 1.720 49 residues pruned to eliminate duplicates Z: 49 64.000 2.310 1.090 0.707 0.917 0.750 CB 1.729 49 residues pruned to eliminate duplicates Z: 75 71.937 2.273 1.110 0.650 0.959 0.770 CB 1.580 75 residues pruned to eliminate duplicates Z: 9 25.949 2.311 0.649 0.895 1.000 1.000 CB 1.726 9 residues pruned to eliminate duplicates Z: 16 18.848 1.984 0.653 0.812 0.800 0.667 CB 1.414 16 residues pruned to eliminate duplicates Z: 26 66.820 2.330 1.350 0.930 0.960 0.880 CB 1.778 26 residues pruned to eliminate duplicates Z: 13 10.725 1.993 0.836 0.481 0.750 0.583 CB 1.150 13 residues pruned to eliminate duplicates Z: 23 31.096 2.341 0.961 0.456 0.909 0.500 CB 1.662 23 residues pruned to eliminate duplicates Z: 7 13.814 2.202 0.778 0.753 0.833 0.833 CA 1.379 7 residues pruned to eliminate duplicates Z: 130 94.980 2.304 1.080 0.621 0.969 0.713 CB 1.606 130 residues pruned to eliminate duplicates Z: 16 45.697 2.166 1.330 0.931 1.000 0.667 CB 1.633 16 residues pruned to eliminate duplicates Z: 13 18.431 2.117 0.783 0.584 0.833 0.667 CB 1.560 13 residues pruned to eliminate duplicates Z: 11 32.313 2.130 0.916 0.932 1.000 0.800 CB 1.749 11 residues pruned to eliminate duplicates Z: 29 47.655 2.251 0.827 0.926 1.000 0.893 CB 1.536 29 residues pruned to eliminate duplicates Z: 26 64.384 2.352 1.290 0.925 1.000 0.600 CB 1.677 26 residues pruned to eliminate duplicates Z: 18 27.091 2.050 0.483 0.905 1.000 0.824 CB 1.538 18 residues pruned to eliminate duplicates Z: 20 29.375 2.320 1.064 0.435 0.842 0.421 CB 1.787 20 residues pruned to eliminate duplicates Z: 96 88.740 2.338 1.070 0.653 0.937 0.726 CB 1.741 96 residues pruned to eliminate duplicates Z: 9 39.524 2.481 1.029 0.883 1.000 0.875 CB 2.008 9 residues pruned to eliminate duplicates Z: 10 30.542 2.324 1.060 0.860 1.000 0.889 CB 1.564 10 residues pruned to eliminate duplicates Z: 32 55.257 2.333 1.133 0.724 0.968 0.581 CB 1.683 32 residues pruned to eliminate duplicates Z: 25 56.920 2.424 0.819 0.944 1.000 1.000 CB 1.826 25 residues pruned to eliminate duplicates Z: 52 62.996 2.361 1.103 0.664 0.902 0.706 CB 1.693 52 residues pruned to eliminate duplicates Z: 6 16.196 2.113 0.671 0.867 1.000 0.600 CB 1.501 6 residues pruned to eliminate duplicates Z: 6 12.456 2.224 0.388 0.765 1.000 0.600 CB 1.426 6 residues pruned to eliminate duplicates Z: 25 73.864 2.410 1.347 0.947 1.000 0.833 CB 1.841 25 residues pruned to eliminate duplicates Z: 47 59.704 2.272 1.026 0.677 0.978 0.761 CB 1.661 47 residues pruned to eliminate duplicates Z: 17 42.028 2.149 1.083 0.945 1.000 0.812 CB 1.625 17 residues pruned to eliminate duplicates Z: 25 76.219 2.398 1.437 0.954 1.000 0.917 C 1.831 25 residues pruned to eliminate duplicates Z: 19 19.779 2.088 0.854 0.428 0.833 0.611 CB 1.556 19 residues pruned to eliminate duplicates Z: 31 37.827 2.231 1.110 0.551 1.000 0.833 CB 1.396 31 residues pruned to eliminate duplicates Z: 8 15.736 1.865 0.735 0.883 1.000 0.857 CB 1.330 8 residues pruned to eliminate duplicates Z: 27 34.299 2.175 0.829 0.656 0.962 0.692 CB 1.520 27 residues pruned to eliminate duplicates Z: 38 55.785 2.324 1.158 0.721 0.946 0.676 CB 1.583 38 residues pruned to eliminate duplicates Z: 15 15.470 1.812 0.542 0.607 1.000 0.643 CB 1.337 15 residues pruned to eliminate duplicates Z: 14 25.523 2.210 0.495 0.853 1.000 0.846 CB 1.584 14 residues pruned to eliminate duplicates Z: 36 55.099 2.293 0.900 0.710 0.971 0.800 CB 1.819 36 residues pruned to eliminate duplicates Z: 11 19.171 1.926 0.900 0.767 1.000 0.900 CB 1.307 11 residues pruned to eliminate duplicates Z: 12 3.960 1.393 0.318 0.299 0.818 0.273 CA 0.995 Z: 41 41.020 2.235 1.035 0.557 0.950 0.700 CB 1.421 41 residues pruned to eliminate duplicates Z: 21 21.675 2.254 0.856 0.445 0.850 0.600 CB 1.443 21 residues pruned to eliminate duplicates Z: 7 5.388 1.730 1.140 0.540 0.667 0.500 CB 0.857 7 residues pruned to eliminate duplicates Z: 109 80.856 2.283 1.056 0.622 0.907 0.667 CB 1.629 109 residues pruned to eliminate duplicates Z: 28 16.388 1.974 0.617 0.289 0.889 0.370 CB 1.409 28 residues pruned to eliminate duplicates Z: 170 104.201 2.288 1.071 0.656 0.935 0.740 CB 1.565 230 residues pruned to eliminate duplicates Z: 27 15.700 2.065 0.600 0.298 0.808 0.308 CB 1.446 27 residues pruned to eliminate duplicates Z: 32 52.310 2.326 1.092 0.730 0.903 0.774 CB 1.738 Z: 9 15.795 1.843 0.733 0.696 1.000 0.750 CA 1.462 9 residues pruned to eliminate duplicates Z: 61 63.112 2.248 1.061 0.675 0.950 0.733 CB 1.575 61 residues pruned to eliminate duplicates Z: 41 63.044 2.323 1.134 0.685 1.000 0.825 CB 1.696 41 residues pruned to eliminate duplicates Z: 33 23.710 2.089 0.836 0.390 0.906 0.594 CB 1.355 33 residues pruned to eliminate duplicates Z: 15 19.868 1.953 0.774 0.730 1.000 0.857 CB 1.245 15 residues pruned to eliminate duplicates Z: 18 32.946 2.300 1.452 0.519 0.941 0.706 CB 1.477 12 residues pruned to eliminate duplicates Z: 63 66.370 2.319 1.127 0.601 0.903 0.629 CB 1.718 95 residues pruned to eliminate duplicates Z: 94 79.359 2.319 1.110 0.575 0.968 0.688 CB 1.616 144 residues pruned to eliminate duplicates Z: 16 24.581 2.166 0.359 0.924 1.000 0.933 CB 1.514 Z: 19 35.523 2.284 0.902 0.650 0.944 0.833 CB 1.775 19 residues pruned to eliminate duplicates Z: 9 22.557 2.263 0.779 0.859 1.000 0.875 CA 1.458 9 residues pruned to eliminate duplicates Z: 40 54.076 2.276 1.098 0.673 0.949 0.692 CB 1.629 Z: 73 58.172 2.301 0.887 0.569 0.917 0.625 CB 1.613 73 residues pruned to eliminate duplicates Z: 36 20.417 1.613 0.758 0.698 0.971 0.543 CB 1.046 36 residues pruned to eliminate duplicates Z: 10 15.281 1.629 0.937 0.819 1.000 0.444 C 1.224 10 residues pruned to eliminate duplicates Z: 41 49.305 2.277 0.908 0.678 0.950 0.750 CB 1.604 41 residues pruned to eliminate duplicates Z: 20 33.923 2.165 1.070 0.741 0.895 0.789 CB 1.564 16 residues pruned to eliminate duplicates Z: 25 41.483 2.226 1.047 0.667 1.000 0.833 CB 1.593 20 residues pruned to eliminate duplicates Z: 27 61.745 2.370 1.188 0.945 0.962 0.846 CB 1.681 27 residues pruned to eliminate duplicates Z: 105 86.977 2.325 1.021 0.667 0.962 0.760 CB 1.617 105 residues pruned to eliminate duplicates Z: 36 52.241 2.319 0.978 0.685 0.971 0.800 CB 1.672 21 residues pruned to eliminate duplicates Z: 6 2.078 1.494 0.196 0.457 0.600 0.400 C 0.906 Z: 8 3.196 1.312 0.246 0.461 0.857 0.429 CB 0.897 Z: 26 25.600 2.152 0.917 0.443 0.880 0.480 CB 1.495 26 residues pruned to eliminate duplicates Z: 17 35.993 2.235 0.894 0.870 1.000 0.812 CB 1.553 17 residues pruned to eliminate duplicates Z: 9 39.696 2.393 1.288 0.916 1.000 0.875 CB 1.809 9 residues pruned to eliminate duplicates Z: 36 47.785 2.254 0.859 0.696 0.971 0.800 CB 1.659 36 residues pruned to eliminate duplicates Z: 27 66.952 2.290 1.361 0.918 1.000 0.731 CB 1.713 27 residues pruned to eliminate duplicates Z: 14 6.468 1.797 0.548 0.289 0.846 0.308 CB 0.966 14 residues pruned to eliminate duplicates Z: 91 66.925 2.259 1.118 0.593 0.900 0.633 CB 1.499 91 residues pruned to eliminate duplicates Z: 25 59.488 2.291 1.174 0.929 1.000 0.833 CB 1.706 25 residues pruned to eliminate duplicates Z: 24 77.925 2.379 1.553 0.965 1.000 0.957 C 1.826 24 residues pruned to eliminate duplicates Z: 30 38.103 2.353 0.966 0.462 0.897 0.483 CB 1.773 30 residues pruned to eliminate duplicates Z: 17 20.517 2.046 0.811 0.576 0.875 0.625 CB 1.470 17 residues pruned to eliminate duplicates Z: 19 36.263 2.431 0.881 0.572 0.944 0.778 CB 1.847 19 residues pruned to eliminate duplicates Z: 30 42.460 2.248 0.758 0.684 1.000 0.828 CB 1.685 30 residues pruned to eliminate duplicates Z: 8 3.474 1.396 0.061 0.613 0.857 0.714 CB 0.929 8 residues pruned to eliminate duplicates Z: 10 21.062 2.024 0.760 0.818 1.000 0.889 CB 1.495 10 residues pruned to eliminate duplicates Z: 65 76.374 2.348 1.210 0.657 0.953 0.672 CB 1.669 65 residues pruned to eliminate duplicates Z: 16 43.172 2.168 1.132 0.944 0.933 0.867 C 1.790 16 residues pruned to eliminate duplicates Z: 125 90.716 2.344 1.052 0.626 0.935 0.726 CB 1.608 125 residues pruned to eliminate duplicates Z: 14 32.383 2.376 0.567 0.919 1.000 0.923 CB 1.700 14 residues pruned to eliminate duplicates Z: 49 50.316 2.267 1.075 0.618 0.896 0.542 CB 1.541 49 residues pruned to eliminate duplicates Z: 27 39.043 2.198 0.821 0.659 0.962 0.654 CB 1.716 27 residues pruned to eliminate duplicates Z: 20 46.925 2.121 1.248 0.933 0.947 0.684 CB 1.664 20 residues pruned to eliminate duplicates Z: 37 65.113 2.312 1.235 0.710 0.972 0.722 CB 1.784 40 residues pruned to eliminate duplicates Z: 9 38.940 2.377 1.221 0.905 1.000 0.750 CB 1.855 9 residues pruned to eliminate duplicates Z: 16 32.506 2.080 0.768 0.919 1.000 0.933 C 1.608 16 residues pruned to eliminate duplicates Z: 12 17.287 2.197 0.864 0.375 0.909 0.636 C 1.600 12 residues pruned to eliminate duplicates Z: 23 79.507 2.410 1.612 0.963 1.000 0.818 C 1.840 23 residues pruned to eliminate duplicates Z: 27 19.934 2.086 0.744 0.375 0.808 0.462 CB 1.521 27 residues pruned to eliminate duplicates Z: 7 6.261 1.557 0.249 0.865 1.000 0.500 CB 0.963 Z: 13 22.053 2.115 0.917 0.596 0.917 0.750 CB 1.562 13 residues pruned to eliminate duplicates Z: 52 58.510 2.288 1.067 0.671 0.941 0.706 CB 1.572 52 residues pruned to eliminate duplicates Z: 10 5.926 1.481 0.348 0.543 1.000 0.667 CB 0.948 Z: 20 8.214 1.327 0.464 0.759 1.000 0.842 CB 0.770 10 residues pruned to eliminate duplicates Z: 16 32.121 2.032 0.832 0.906 1.000 0.867 CB 1.584 16 residues pruned to eliminate duplicates Z: 61 53.907 2.200 0.997 0.647 0.933 0.633 CB 1.479 68 residues pruned to eliminate duplicates Z: 53 54.747 2.179 1.060 0.601 0.981 0.692 CB 1.566 41 residues pruned to eliminate duplicates Z: 15 32.892 2.162 0.587 0.942 1.000 1.000 CA 1.777 15 residues pruned to eliminate duplicates Z: 78 64.654 2.310 1.008 0.564 0.922 0.701 CB 1.619 78 residues pruned to eliminate duplicates Z: 41 56.073 2.286 1.057 0.698 0.950 0.800 CB 1.656 41 residues pruned to eliminate duplicates Z: 27 63.365 2.391 1.078 0.953 1.000 0.962 CB 1.722 27 residues pruned to eliminate duplicates Z: 135 88.241 2.305 0.961 0.609 0.948 0.694 CB 1.604 135 residues pruned to eliminate duplicates Z: 19 7.233 1.327 0.312 0.754 1.000 0.889 CB 0.781 19 residues pruned to eliminate duplicates Z: 53 60.719 2.306 1.008 0.635 0.942 0.769 CB 1.701 53 residues pruned to eliminate duplicates Z: 20 28.675 2.107 1.113 0.430 1.000 0.526 CB 1.588 21 residues pruned to eliminate duplicates Z: 48 35.343 2.240 0.803 0.467 0.872 0.553 CB 1.513 48 residues pruned to eliminate duplicates Z: 34 41.062 2.362 1.025 0.538 0.879 0.485 CB 1.638 34 residues pruned to eliminate duplicates Z: 13 13.502 2.206 0.918 0.442 0.667 0.500 CB 1.467 13 residues pruned to eliminate duplicates Z: 26 47.535 2.265 1.119 0.715 0.960 0.840 CB 1.697 26 residues pruned to eliminate duplicates Z: 32 49.016 2.258 1.002 0.669 1.000 0.742 CB 1.665 32 residues pruned to eliminate duplicates Z: 7 10.333 2.043 0.749 0.803 0.667 0.500 CB 1.359 7 residues pruned to eliminate duplicates Z: 20 33.731 2.132 0.785 0.761 1.000 0.789 CB 1.613 20 residues pruned to eliminate duplicates Z: 20 59.195 2.347 1.394 0.934 1.000 0.947 CB 1.685 20 residues pruned to eliminate duplicates Z: 18 39.307 2.141 1.225 0.882 0.941 0.588 CB 1.539 18 residues pruned to eliminate duplicates Z: 15 29.764 2.241 0.541 0.905 1.000 0.929 CB 1.640 15 residues pruned to eliminate duplicates Z: 7 12.819 2.170 0.525 0.818 0.833 0.667 CA 1.440 7 residues pruned to eliminate duplicates Z: 16 14.187 2.003 0.649 0.460 0.933 0.667 CB 1.238 16 residues pruned to eliminate duplicates Z: 7 5.675 1.585 0.128 0.868 1.000 0.667 CB 0.947 Z: 37 63.411 2.335 1.202 0.703 1.000 0.694 CB 1.710 38 residues pruned to eliminate duplicates Z: 25 71.960 2.376 1.327 0.951 1.000 0.917 CB 1.831 25 residues pruned to eliminate duplicates Z: 36 37.910 2.194 0.824 0.631 0.971 0.800 CB 1.457 36 residues pruned to eliminate duplicates Z: 12 3.809 1.772 0.404 0.069 0.727 0.273 CB 1.116 12 residues pruned to eliminate duplicates Z: 19 24.307 2.171 0.769 0.520 1.000 0.667 CB 1.463 19 residues pruned to eliminate duplicates Z: 10 5.910 1.618 0.589 0.590 1.000 0.556 CB 0.703 10 residues pruned to eliminate duplicates Z: 11 18.643 2.023 0.480 0.887 1.000 0.800 CB 1.420 11 residues pruned to eliminate duplicates Z: 7 10.035 1.913 0.222 0.880 1.000 0.833 CB 1.270 7 residues pruned to eliminate duplicates Z: 32 50.930 2.246 1.064 0.692 1.000 0.710 CB 1.656 32 residues pruned to eliminate duplicates Z: 21 25.477 2.163 0.930 0.581 0.850 0.700 CB 1.484 21 residues pruned to eliminate duplicates Z: 36 43.085 2.273 1.168 0.510 0.886 0.457 CB 1.653 36 residues pruned to eliminate duplicates Z: 15 30.013 2.270 1.264 0.538 1.000 0.857 CB 1.503 15 residues pruned to eliminate duplicates Z: 11 13.910 1.821 0.872 0.604 0.900 0.900 CB 1.299 11 residues pruned to eliminate duplicates Z: 13 9.968 1.685 0.398 0.594 1.000 0.667 CB 1.117 13 residues pruned to eliminate duplicates Z: 45 62.790 2.273 1.214 0.749 0.955 0.750 CB 1.578 45 residues pruned to eliminate duplicates Z: 47 59.795 2.334 1.031 0.582 0.978 0.739 CB 1.757 47 residues pruned to eliminate duplicates Z: 30 31.129 2.124 0.949 0.543 0.966 0.759 CB 1.387 30 residues pruned to eliminate duplicates Z: 42 45.747 2.208 0.840 0.638 0.976 0.707 CB 1.584 42 residues pruned to eliminate duplicates Z: 22 31.579 2.209 0.899 0.615 0.952 0.667 CB 1.547 22 residues pruned to eliminate duplicates Z: 26 67.580 2.444 1.178 0.953 1.000 0.920 CB 1.746 26 residues pruned to eliminate duplicates Z: 8 5.042 1.566 0.451 0.403 0.857 0.571 CB 1.083 Z: 6 4.332 1.605 0.670 0.543 1.000 0.600 CB 0.693 6 residues pruned to eliminate duplicates Z: 10 16.928 2.120 1.009 0.448 0.889 0.667 CB 1.572 10 residues pruned to eliminate duplicates Z: 60 65.677 2.261 1.215 0.674 0.983 0.831 CB 1.479 60 residues pruned to eliminate duplicates Z: 15 10.472 1.691 0.602 0.606 0.929 0.786 CB 1.006 7 residues pruned to eliminate duplicates Z: 55 53.696 2.230 1.095 0.694 0.870 0.704 CB 1.505 55 residues pruned to eliminate duplicates Z: 25 78.214 2.389 1.515 0.956 1.000 0.958 C 1.824 25 residues pruned to eliminate duplicates Z: 8 10.252 2.144 0.570 0.496 0.857 0.714 CB 1.348 8 residues pruned to eliminate duplicates Z: 9 11.216 1.854 0.895 0.336 1.000 0.875 CB 1.351 4 residues pruned to eliminate duplicates 339 residues left after pruning, divided into chains as follows: A: 206 B: 20 C: 51 D: 30 E: 10 F: 22 CC for partial structure against native data = 45.43 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.470, Connect. = 0.764 for dens.mod. cycle 1 = 0.300, Contrast = 0.538, Connect. = 0.790 for dens.mod. cycle 2 = 0.300, Contrast = 0.637, Connect. = 0.817 for dens.mod. cycle 3 = 0.300, Contrast = 0.643, Connect. = 0.820 for dens.mod. cycle 4 = 0.300, Contrast = 0.652, Connect. = 0.823 for dens.mod. cycle 5 = 0.300, Contrast = 0.654, Connect. = 0.824 for dens.mod. cycle 6 = 0.300, Contrast = 0.658, Connect. = 0.825 for dens.mod. cycle 7 = 0.300, Contrast = 0.659, Connect. = 0.826 for dens.mod. cycle 8 = 0.300, Contrast = 0.660, Connect. = 0.827 for dens.mod. cycle 9 = 0.300, Contrast = 0.660, Connect. = 0.827 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2691 peaks > 0.5 sigma used to seed fragment search Space for about 411 unique residues taking solvent into account 547 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 25 59.694 2.468 0.800 0.934 1.000 0.917 C 1.912 B: 27 55.631 2.326 0.918 0.931 1.000 1.000 CB 1.709 27 residues pruned to eliminate duplicates C: 24 73.793 2.471 1.167 0.956 1.000 0.913 CB 1.974 25 residues pruned to eliminate duplicates D: 27 63.472 2.453 0.848 0.946 1.000 0.885 CB 1.898 E: 24 71.156 2.487 1.147 0.954 1.000 0.913 C 1.911 24 residues pruned to eliminate duplicates F: 29 62.427 2.352 1.015 0.928 1.000 0.821 CB 1.744 27 residues pruned to eliminate duplicates G: 9 39.770 2.563 1.001 0.864 1.000 1.000 CA 2.010 H: 7 7.293 1.839 0.062 0.568 1.000 0.500 CB 1.427 I: 28 64.305 2.404 1.054 0.934 0.963 0.889 CB 1.815 28 residues pruned to eliminate duplicates J: 27 61.010 2.371 0.916 0.928 1.000 0.885 CB 1.845 27 residues pruned to eliminate duplicates K: 27 60.246 2.431 0.981 0.757 1.000 0.769 C 1.951 L: 26 65.088 2.526 0.889 0.961 1.000 0.920 CB 1.867 27 residues pruned to eliminate duplicates M: 25 70.226 2.496 1.012 0.951 1.000 0.917 C 1.967 24 residues pruned to eliminate duplicates N: 53 53.090 2.324 0.763 0.600 0.942 0.788 CB 1.733 9 residues pruned to eliminate duplicates O: 27 64.543 2.446 0.856 0.948 1.000 0.923 CB 1.925 27 residues pruned to eliminate duplicates P: 76 81.736 2.392 1.029 0.633 0.973 0.720 CB 1.764 30 residues pruned to eliminate duplicates Q: 9 37.566 2.523 0.993 0.892 1.000 0.625 CB 1.897 9 residues pruned to eliminate duplicates R: 27 63.746 2.310 1.033 0.923 1.000 0.885 C 1.872 25 residues pruned to eliminate duplicates S: 9 36.031 2.537 0.869 0.900 1.000 1.000 CB 1.919 9 residues pruned to eliminate duplicates T: 25 72.008 2.496 1.049 0.952 1.000 0.958 CB 1.979 27 residues pruned to eliminate duplicates U: 25 69.530 2.485 1.110 0.935 1.000 0.958 C 1.886 25 residues pruned to eliminate duplicates V: 27 61.614 2.407 0.923 0.947 1.000 0.923 CB 1.804 26 residues pruned to eliminate duplicates W: 25 73.195 2.476 1.187 0.953 1.000 0.958 C 1.899 25 residues pruned to eliminate duplicates X: 10 36.767 2.416 0.878 0.878 1.000 0.778 CA 1.961 10 residues pruned to eliminate duplicates Y: 25 66.323 2.483 0.964 0.935 1.000 0.792 C 1.934 25 residues pruned to eliminate duplicates Z: 21 24.735 2.107 0.902 0.481 0.950 0.550 CB 1.481 Z: 27 59.584 2.357 0.943 0.932 1.000 0.923 CB 1.782 27 residues pruned to eliminate duplicates Z: 125 102.000 2.414 1.009 0.628 0.944 0.653 CB 1.775 78 residues pruned to eliminate duplicates Z: 28 63.451 2.376 0.960 0.947 1.000 0.852 CB 1.812 29 residues pruned to eliminate duplicates Z: 41 33.927 2.248 0.931 0.371 0.875 0.500 CB 1.621 42 residues pruned to eliminate duplicates Z: 19 19.445 2.146 0.934 0.449 0.778 0.556 CB 1.496 19 residues pruned to eliminate duplicates Z: 41 34.197 2.284 0.911 0.415 0.825 0.475 CB 1.642 41 residues pruned to eliminate duplicates Z: 69 70.835 2.376 1.022 0.568 0.971 0.721 CB 1.725 96 residues pruned to eliminate duplicates Z: 78 72.208 2.392 0.818 0.621 1.000 0.766 CB 1.688 78 residues pruned to eliminate duplicates Z: 18 39.861 2.412 1.060 0.608 0.941 0.588 CB 1.864 Z: 26 74.826 2.404 1.298 0.945 1.000 0.920 CB 1.874 26 residues pruned to eliminate duplicates Z: 25 67.623 2.498 0.981 0.944 1.000 0.917 C 1.932 25 residues pruned to eliminate duplicates Z: 9 14.169 2.269 0.857 0.462 0.750 0.625 CA 1.648 9 residues pruned to eliminate duplicates Z: 14 23.592 2.273 0.078 0.941 1.000 1.000 C 1.854 Z: 12 24.253 2.278 1.444 0.456 0.818 0.727 CB 1.679 Z: 11 23.925 2.258 0.488 0.874 1.000 0.900 CB 1.639 11 residues pruned to eliminate duplicates Z: 25 71.811 2.580 0.936 0.949 1.000 0.917 C 2.025 27 residues pruned to eliminate duplicates Z: 24 78.861 2.507 1.365 0.961 1.000 0.957 C 1.898 24 residues pruned to eliminate duplicates Z: 41 32.794 2.188 0.917 0.435 0.900 0.500 CB 1.469 11 residues pruned to eliminate duplicates Z: 9 39.721 2.571 1.003 0.872 1.000 1.000 CA 1.987 9 residues pruned to eliminate duplicates Z: 53 60.143 2.334 0.883 0.619 0.981 0.769 CB 1.729 53 residues pruned to eliminate duplicates Z: 28 64.841 2.414 1.068 0.921 0.926 0.778 CB 1.900 26 residues pruned to eliminate duplicates Z: 25 82.645 2.593 1.207 0.958 1.000 0.875 C 2.022 28 residues pruned to eliminate duplicates Z: 16 30.009 2.194 0.521 0.864 0.933 0.933 C 1.823 14 residues pruned to eliminate duplicates Z: 11 26.077 2.455 1.340 0.500 0.800 0.600 CB 1.794 11 residues pruned to eliminate duplicates Z: 38 61.648 2.370 1.138 0.638 0.973 0.676 CB 1.806 34 residues pruned to eliminate duplicates Z: 44 57.549 2.423 1.026 0.600 0.884 0.605 CB 1.839 45 residues pruned to eliminate duplicates Z: 53 57.539 2.335 0.832 0.607 0.962 0.750 CB 1.753 53 residues pruned to eliminate duplicates Z: 9 23.477 2.437 0.276 0.914 1.000 1.000 CA 1.887 9 residues pruned to eliminate duplicates Z: 11 30.212 2.214 0.778 0.892 1.000 0.900 CA 1.744 11 residues pruned to eliminate duplicates Z: 41 49.301 2.209 0.864 0.630 0.925 0.650 CB 1.812 41 residues pruned to eliminate duplicates Z: 28 55.760 2.365 0.840 0.919 1.000 0.852 CB 1.738 28 residues pruned to eliminate duplicates Z: 15 34.269 2.296 0.486 0.930 1.000 0.929 C 1.877 15 residues pruned to eliminate duplicates Z: 17 16.371 2.042 1.011 0.385 0.750 0.500 CB 1.501 17 residues pruned to eliminate duplicates Z: 18 27.534 2.286 0.324 0.845 0.941 0.824 CB 1.744 18 residues pruned to eliminate duplicates Z: 15 19.809 2.161 1.007 0.488 0.857 0.643 CB 1.442 15 residues pruned to eliminate duplicates Z: 27 39.678 2.157 0.666 0.900 0.923 0.808 CB 1.675 27 residues pruned to eliminate duplicates Z: 26 72.242 2.502 1.127 0.940 0.960 0.920 C 1.964 26 residues pruned to eliminate duplicates Z: 10 40.030 2.409 1.068 0.898 1.000 1.000 CA 1.915 10 residues pruned to eliminate duplicates Z: 23 61.901 2.493 0.918 0.941 1.000 0.909 CB 1.916 23 residues pruned to eliminate duplicates Z: 28 67.784 2.368 1.093 0.940 1.000 0.815 CB 1.828 26 residues pruned to eliminate duplicates Z: 17 40.897 2.340 0.733 0.873 1.000 0.812 CA 1.837 17 residues pruned to eliminate duplicates Z: 27 66.900 2.343 1.078 0.942 1.000 0.923 C 1.870 27 residues pruned to eliminate duplicates Z: 26 77.642 2.534 1.266 0.953 0.960 0.920 CB 1.939 26 residues pruned to eliminate duplicates Z: 18 31.987 2.233 0.583 0.860 1.000 0.824 CB 1.615 18 residues pruned to eliminate duplicates Z: 25 68.635 2.464 1.004 0.950 1.000 0.958 CB 1.956 25 residues pruned to eliminate duplicates Z: 16 31.050 2.185 0.386 0.941 1.000 0.933 C 1.837 16 residues pruned to eliminate duplicates Z: 10 30.671 2.418 0.625 0.880 1.000 0.889 CA 1.887 10 residues pruned to eliminate duplicates Z: 8 15.044 2.074 0.668 0.734 0.857 0.143 CA 1.554 8 residues pruned to eliminate duplicates Z: 39 53.350 2.264 1.089 0.642 0.947 0.684 CB 1.691 39 residues pruned to eliminate duplicates Z: 52 55.554 2.373 0.741 0.599 0.980 0.745 CB 1.747 52 residues pruned to eliminate duplicates Z: 16 48.233 2.438 0.958 0.879 1.000 0.867 CB 1.891 16 residues pruned to eliminate duplicates Z: 10 28.904 2.396 0.849 0.767 0.889 0.778 CB 1.931 10 residues pruned to eliminate duplicates Z: 76 65.261 2.343 0.966 0.565 0.893 0.720 CB 1.719 58 residues pruned to eliminate duplicates Z: 16 30.713 2.211 0.561 0.880 0.933 0.933 C 1.784 16 residues pruned to eliminate duplicates Z: 11 22.126 2.407 1.215 0.489 0.800 0.600 CB 1.659 11 residues pruned to eliminate duplicates Z: 10 34.179 2.262 1.035 0.904 1.000 0.889 C 1.763 10 residues pruned to eliminate duplicates Z: 125 102.315 2.428 0.970 0.625 0.960 0.677 CB 1.780 125 residues pruned to eliminate duplicates Z: 28 72.177 2.429 1.176 0.928 1.000 0.704 CB 1.839 28 residues pruned to eliminate duplicates Z: 15 38.593 2.302 0.660 0.943 1.000 1.000 C 1.871 15 residues pruned to eliminate duplicates Z: 17 37.274 2.325 0.566 0.869 1.000 0.875 CB 1.870 17 residues pruned to eliminate duplicates Z: 14 38.699 2.342 0.709 0.942 1.000 0.923 C 1.860 14 residues pruned to eliminate duplicates Z: 18 25.374 2.136 0.423 0.838 0.941 0.765 CB 1.608 18 residues pruned to eliminate duplicates Z: 25 69.260 2.474 1.065 0.956 1.000 0.833 C 1.901 25 residues pruned to eliminate duplicates Z: 25 68.627 2.511 0.999 0.938 1.000 0.917 C 1.941 25 residues pruned to eliminate duplicates Z: 36 76.315 2.453 1.269 0.725 1.000 0.857 CB 1.891 37 residues pruned to eliminate duplicates Z: 15 29.623 2.272 0.288 0.936 1.000 1.000 CA 1.884 15 residues pruned to eliminate duplicates Z: 14 39.314 2.412 0.591 0.938 1.000 0.846 CB 1.976 14 residues pruned to eliminate duplicates Z: 18 34.233 2.203 0.726 0.876 0.941 0.824 CB 1.685 18 residues pruned to eliminate duplicates Z: 28 66.046 2.409 0.994 0.917 1.000 0.852 CB 1.867 28 residues pruned to eliminate duplicates Z: 16 46.919 2.342 0.928 0.911 1.000 0.867 CA 1.902 16 residues pruned to eliminate duplicates Z: 29 63.713 2.366 1.062 0.929 0.964 0.786 CB 1.792 29 residues pruned to eliminate duplicates Z: 16 36.409 2.323 0.511 0.914 1.000 0.933 CA 1.894 16 residues pruned to eliminate duplicates Z: 29 63.799 2.356 0.978 0.939 1.000 0.857 CB 1.799 29 residues pruned to eliminate duplicates Z: 11 24.493 2.304 0.347 0.927 1.000 0.900 CA 1.749 11 residues pruned to eliminate duplicates Z: 16 36.412 2.318 0.802 0.867 0.933 0.867 CB 1.764 16 residues pruned to eliminate duplicates Z: 27 68.024 2.472 0.966 0.930 1.000 0.846 CB 1.920 27 residues pruned to eliminate duplicates Z: 37 59.766 2.404 1.134 0.643 0.944 0.611 CB 1.799 37 residues pruned to eliminate duplicates Z: 58 64.067 2.440 0.953 0.634 0.860 0.667 CB 1.828 58 residues pruned to eliminate duplicates Z: 27 71.556 2.365 1.262 0.936 1.000 0.808 C 1.827 27 residues pruned to eliminate duplicates Z: 74 67.075 2.316 0.948 0.644 0.932 0.685 CB 1.633 74 residues pruned to eliminate duplicates Z: 27 59.290 2.449 0.847 0.922 1.000 0.885 CB 1.808 27 residues pruned to eliminate duplicates Z: 25 68.149 2.535 0.936 0.931 1.000 1.000 CB 1.981 25 residues pruned to eliminate duplicates Z: 27 71.670 2.424 1.236 0.952 0.962 0.808 CB 1.858 27 residues pruned to eliminate duplicates Z: 32 25.650 2.047 0.856 0.444 0.935 0.484 CB 1.374 32 residues pruned to eliminate duplicates Z: 14 19.633 2.071 1.132 0.452 0.846 0.538 CB 1.530 14 residues pruned to eliminate duplicates Z: 16 35.481 2.401 0.537 0.877 1.000 0.800 CB 1.802 16 residues pruned to eliminate duplicates Z: 17 37.833 2.324 0.694 0.874 1.000 0.750 CB 1.749 17 residues pruned to eliminate duplicates Z: 16 20.410 2.011 0.964 0.538 0.933 0.600 CB 1.377 16 residues pruned to eliminate duplicates Z: 34 59.433 2.418 1.141 0.666 0.939 0.606 CB 1.824 34 residues pruned to eliminate duplicates Z: 43 53.727 2.329 0.712 0.671 0.976 0.738 CB 1.819 43 residues pruned to eliminate duplicates Z: 106 100.432 2.416 0.961 0.667 1.000 0.790 CB 1.773 106 residues pruned to eliminate duplicates Z: 28 60.444 2.398 0.914 0.927 1.000 0.889 CB 1.776 28 residues pruned to eliminate duplicates Z: 16 43.926 2.412 0.750 0.901 1.000 0.933 CB 1.918 16 residues pruned to eliminate duplicates Z: 38 58.650 2.343 1.043 0.670 0.946 0.730 CB 1.820 38 residues pruned to eliminate duplicates Z: 28 66.281 2.394 1.116 0.911 0.963 0.778 CB 1.853 28 residues pruned to eliminate duplicates Z: 24 75.182 2.457 1.369 0.949 1.000 0.870 C 1.859 24 residues pruned to eliminate duplicates Z: 48 68.154 2.433 1.145 0.642 0.936 0.617 CB 1.782 48 residues pruned to eliminate duplicates Z: 27 67.396 2.358 1.187 0.913 1.000 0.808 CB 1.814 27 residues pruned to eliminate duplicates Z: 22 21.629 2.256 0.761 0.447 0.810 0.524 CB 1.550 22 residues pruned to eliminate duplicates Z: 36 55.536 2.347 0.894 0.716 0.971 0.800 CB 1.789 36 residues pruned to eliminate duplicates Z: 8 11.568 1.899 0.482 0.871 0.857 0.714 CB 1.323 8 residues pruned to eliminate duplicates Z: 27 71.665 2.377 1.331 0.924 0.962 0.769 C 1.852 27 residues pruned to eliminate duplicates Z: 71 67.209 2.379 0.842 0.615 0.971 0.843 CB 1.692 71 residues pruned to eliminate duplicates Z: 16 41.783 2.396 0.734 0.898 1.000 0.800 CA 1.857 16 residues pruned to eliminate duplicates Z: 26 78.574 2.543 1.179 0.954 1.000 0.880 CB 1.951 26 residues pruned to eliminate duplicates Z: 21 28.683 2.377 0.898 0.461 0.850 0.400 CB 1.740 21 residues pruned to eliminate duplicates Z: 20 60.611 2.452 1.103 0.932 1.000 0.789 CB 1.883 20 residues pruned to eliminate duplicates Z: 7 14.994 2.205 0.252 0.812 1.000 0.333 CA 1.690 7 residues pruned to eliminate duplicates Z: 125 97.034 2.429 0.910 0.619 0.952 0.685 CB 1.764 125 residues pruned to eliminate duplicates Z: 25 61.683 2.478 0.853 0.949 1.000 0.917 C 1.892 25 residues pruned to eliminate duplicates Z: 14 43.507 2.400 0.820 0.927 1.000 0.846 CB 1.936 14 residues pruned to eliminate duplicates Z: 52 60.684 2.344 0.941 0.621 0.961 0.745 CB 1.734 52 residues pruned to eliminate duplicates Z: 10 26.991 2.528 1.268 0.562 0.778 0.667 CB 1.900 10 residues pruned to eliminate duplicates Z: 25 72.861 2.486 1.153 0.949 1.000 0.917 C 1.917 25 residues pruned to eliminate duplicates Z: 23 64.418 2.472 1.035 0.943 1.000 0.955 CB 1.892 23 residues pruned to eliminate duplicates Z: 16 40.404 2.267 0.833 0.936 1.000 0.867 CB 1.748 16 residues pruned to eliminate duplicates Z: 31 30.553 2.090 1.051 0.503 0.900 0.667 CB 1.441 31 residues pruned to eliminate duplicates Z: 47 55.045 2.368 0.670 0.655 0.978 0.783 CB 1.816 47 residues pruned to eliminate duplicates Z: 9 24.649 2.181 0.972 0.893 0.875 0.875 CB 1.663 9 residues pruned to eliminate duplicates Z: 6 10.679 2.485 0.517 0.713 0.600 0.400 CA 1.741 6 residues pruned to eliminate duplicates Z: 66 64.972 2.370 1.000 0.592 0.923 0.615 CB 1.687 66 residues pruned to eliminate duplicates Z: 9 25.716 2.473 0.364 0.907 1.000 1.000 CB 1.916 9 residues pruned to eliminate duplicates Z: 16 35.950 2.258 0.624 0.926 1.000 0.533 CA 1.775 16 residues pruned to eliminate duplicates Z: 72 56.038 2.334 0.855 0.592 0.873 0.676 CB 1.611 72 residues pruned to eliminate duplicates Z: 49 74.312 2.483 1.136 0.694 0.917 0.771 CB 1.848 49 residues pruned to eliminate duplicates Z: 27 54.261 2.400 0.761 0.944 1.000 0.923 CB 1.744 27 residues pruned to eliminate duplicates Z: 17 34.746 2.282 0.602 0.890 1.000 0.875 CB 1.709 17 residues pruned to eliminate duplicates Z: 27 75.950 2.345 1.432 0.936 1.000 0.808 CB 1.819 27 residues pruned to eliminate duplicates Z: 15 44.854 2.232 1.034 0.945 1.000 0.929 C 1.827 15 residues pruned to eliminate duplicates Z: 29 70.398 2.380 1.134 0.943 1.000 0.857 CB 1.815 29 residues pruned to eliminate duplicates Z: 15 36.299 2.236 0.594 0.941 1.000 0.929 CB 1.888 15 residues pruned to eliminate duplicates Z: 38 22.324 1.686 0.811 0.664 0.973 0.649 CB 1.061 38 residues pruned to eliminate duplicates Z: 16 34.678 2.342 0.592 0.874 1.000 0.733 CB 1.749 16 residues pruned to eliminate duplicates Z: 51 61.208 2.395 0.895 0.620 0.980 0.740 CB 1.737 53 residues pruned to eliminate duplicates Z: 10 36.373 2.444 0.807 0.909 1.000 1.000 CA 1.949 10 residues pruned to eliminate duplicates Z: 73 70.881 2.365 1.048 0.603 0.903 0.625 CB 1.731 73 residues pruned to eliminate duplicates Z: 16 39.731 2.306 1.026 0.834 0.933 0.800 CB 1.763 16 residues pruned to eliminate duplicates Z: 25 81.386 2.504 1.425 0.952 1.000 0.958 C 1.884 25 residues pruned to eliminate duplicates Z: 185 97.400 2.240 0.951 0.603 0.940 0.723 CB 1.584 197 residues pruned to eliminate duplicates Z: 79 68.092 2.341 1.072 0.567 0.897 0.641 CB 1.660 79 residues pruned to eliminate duplicates Z: 87 68.277 2.390 1.002 0.537 0.884 0.616 CB 1.679 87 residues pruned to eliminate duplicates Z: 26 66.965 2.414 1.081 0.939 1.000 0.960 C 1.853 26 residues pruned to eliminate duplicates Z: 72 68.272 2.351 1.024 0.617 0.901 0.620 CB 1.690 72 residues pruned to eliminate duplicates Z: 16 33.301 2.231 0.531 0.879 1.000 0.867 C 1.825 16 residues pruned to eliminate duplicates Z: 33 54.435 2.301 1.069 0.717 0.938 0.781 CB 1.771 33 residues pruned to eliminate duplicates Z: 47 63.418 2.418 1.130 0.638 0.891 0.717 CB 1.790 47 residues pruned to eliminate duplicates Z: 10 20.231 2.257 0.360 0.894 0.889 0.667 CA 1.773 10 residues pruned to eliminate duplicates Z: 22 44.473 2.285 0.684 0.837 1.000 0.762 CA 1.887 22 residues pruned to eliminate duplicates Z: 65 72.043 2.361 1.154 0.631 0.922 0.688 CB 1.698 65 residues pruned to eliminate duplicates Z: 17 32.589 2.252 0.687 0.854 0.938 0.688 CB 1.690 17 residues pruned to eliminate duplicates Z: 17 11.181 1.967 0.490 0.337 0.750 0.500 CB 1.518 17 residues pruned to eliminate duplicates Z: 52 52.417 2.352 0.723 0.603 0.941 0.745 CB 1.745 52 residues pruned to eliminate duplicates Z: 35 48.287 2.321 0.790 0.671 0.941 0.618 CB 1.809 35 residues pruned to eliminate duplicates Z: 89 80.079 2.413 1.040 0.608 0.886 0.659 CB 1.766 89 residues pruned to eliminate duplicates Z: 42 56.627 2.316 0.996 0.625 0.951 0.683 CB 1.787 42 residues pruned to eliminate duplicates Z: 64 57.725 2.289 0.950 0.575 0.921 0.651 CB 1.647 64 residues pruned to eliminate duplicates Z: 46 53.846 2.308 0.749 0.671 0.978 0.800 CB 1.738 46 residues pruned to eliminate duplicates Z: 28 62.994 2.387 0.982 0.941 1.000 0.852 CB 1.779 28 residues pruned to eliminate duplicates Z: 7 13.372 2.357 0.345 0.781 0.833 0.500 C 1.613 7 residues pruned to eliminate duplicates Z: 16 31.924 2.279 0.564 0.862 1.000 0.867 CB 1.698 16 residues pruned to eliminate duplicates Z: 26 63.304 2.503 0.913 0.952 0.960 0.920 CB 1.896 26 residues pruned to eliminate duplicates Z: 16 40.488 2.181 0.871 0.920 1.000 0.867 CA 1.804 16 residues pruned to eliminate duplicates Z: 139 94.894 2.360 0.888 0.604 0.957 0.746 CB 1.717 139 residues pruned to eliminate duplicates Z: 6 18.634 2.146 0.645 0.846 1.000 0.600 CB 1.754 6 residues pruned to eliminate duplicates Z: 71 85.034 2.359 1.199 0.662 0.971 0.757 CB 1.736 71 residues pruned to eliminate duplicates Z: 68 65.195 2.332 0.947 0.611 0.896 0.687 CB 1.764 68 residues pruned to eliminate duplicates Z: 10 12.619 1.763 0.884 0.684 0.889 0.667 CA 1.203 8 residues pruned to eliminate duplicates Z: 31 26.292 2.191 0.841 0.367 0.900 0.467 CB 1.525 31 residues pruned to eliminate duplicates Z: 63 81.540 2.488 1.149 0.666 0.887 0.661 CB 1.873 63 residues pruned to eliminate duplicates Z: 10 28.590 2.321 0.675 0.867 1.000 0.778 CB 1.793 10 residues pruned to eliminate duplicates Z: 16 21.149 1.982 0.819 0.619 0.933 0.667 CB 1.451 16 residues pruned to eliminate duplicates Z: 17 29.647 2.214 0.527 0.858 0.938 0.812 C 1.723 17 residues pruned to eliminate duplicates Z: 28 65.274 2.365 1.052 0.934 1.000 0.889 CB 1.806 28 residues pruned to eliminate duplicates Z: 7 24.809 2.459 0.774 0.737 1.000 0.833 CA 1.876 7 residues pruned to eliminate duplicates Z: 11 14.819 2.150 0.148 0.840 0.900 0.800 CB 1.575 11 residues pruned to eliminate duplicates Z: 38 16.950 1.627 0.558 0.640 0.973 0.568 CB 0.991 38 residues pruned to eliminate duplicates Z: 17 39.444 2.078 0.911 0.914 1.000 0.875 C 1.755 17 residues pruned to eliminate duplicates Z: 46 65.019 2.296 1.015 0.736 0.956 0.689 CB 1.774 46 residues pruned to eliminate duplicates Z: 26 66.574 2.390 1.247 0.880 1.000 0.880 C 1.796 26 residues pruned to eliminate duplicates Z: 10 17.591 2.106 0.572 0.790 0.889 0.778 CB 1.544 10 residues pruned to eliminate duplicates Z: 25 36.573 2.369 0.522 0.693 0.958 0.750 CB 1.811 25 residues pruned to eliminate duplicates Z: 97 82.123 2.351 1.051 0.585 0.938 0.677 CB 1.709 97 residues pruned to eliminate duplicates Z: 59 65.530 2.347 0.984 0.633 0.931 0.707 CB 1.751 59 residues pruned to eliminate duplicates Z: 15 34.441 2.372 0.533 0.911 1.000 1.000 CB 1.794 15 residues pruned to eliminate duplicates Z: 51 58.126 2.356 0.833 0.595 0.980 0.760 CB 1.774 52 residues pruned to eliminate duplicates Z: 17 27.741 2.251 0.397 0.875 1.000 0.875 CB 1.604 17 residues pruned to eliminate duplicates Z: 71 72.287 2.352 1.069 0.641 0.943 0.757 CB 1.651 71 residues pruned to eliminate duplicates Z: 44 70.210 2.360 1.108 0.755 0.953 0.721 CB 1.799 44 residues pruned to eliminate duplicates Z: 60 60.406 2.360 0.743 0.591 0.983 0.814 CB 1.784 60 residues pruned to eliminate duplicates Z: 100 82.290 2.366 1.078 0.577 0.939 0.596 CB 1.662 100 residues pruned to eliminate duplicates Z: 27 37.528 2.233 0.768 0.647 0.923 0.808 CA 1.760 27 residues pruned to eliminate duplicates Z: 16 45.584 2.333 0.933 0.902 1.000 0.800 CA 1.862 16 residues pruned to eliminate duplicates Z: 102 91.098 2.409 0.966 0.625 0.950 0.772 CB 1.790 102 residues pruned to eliminate duplicates Z: 76 64.132 2.286 0.933 0.616 0.933 0.653 CB 1.610 76 residues pruned to eliminate duplicates Z: 123 107.221 2.453 0.988 0.636 0.967 0.705 CB 1.812 123 residues pruned to eliminate duplicates Z: 16 34.673 2.173 0.804 0.890 0.933 0.933 C 1.760 16 residues pruned to eliminate duplicates Z: 106 92.343 2.381 0.933 0.637 0.990 0.733 CB 1.739 106 residues pruned to eliminate duplicates Z: 38 21.240 1.680 0.685 0.687 0.946 0.757 CB 1.099 38 residues pruned to eliminate duplicates Z: 6 7.410 1.836 0.418 0.660 0.800 0.600 CB 1.372 6 residues pruned to eliminate duplicates Z: 70 72.243 2.346 1.059 0.565 0.957 0.667 CB 1.768 70 residues pruned to eliminate duplicates Z: 70 82.802 2.391 1.176 0.657 0.957 0.768 CB 1.731 70 residues pruned to eliminate duplicates Z: 28 47.605 2.333 0.606 0.931 1.000 0.926 CB 1.708 28 residues pruned to eliminate duplicates Z: 15 49.759 2.280 1.160 0.941 1.000 0.786 C 1.873 15 residues pruned to eliminate duplicates Z: 25 77.811 2.503 1.328 0.959 1.000 0.958 C 1.868 25 residues pruned to eliminate duplicates Z: 64 78.056 2.466 1.088 0.655 0.905 0.683 CB 1.828 64 residues pruned to eliminate duplicates Z: 39 52.812 2.336 0.919 0.666 0.947 0.711 CB 1.730 39 residues pruned to eliminate duplicates Z: 25 73.528 2.504 1.168 0.953 1.000 0.917 C 1.902 25 residues pruned to eliminate duplicates Z: 41 55.624 2.364 0.713 0.690 0.975 0.825 CB 1.872 41 residues pruned to eliminate duplicates Z: 53 61.207 2.326 0.893 0.604 0.981 0.769 CB 1.780 53 residues pruned to eliminate duplicates Z: 37 45.029 2.256 0.775 0.615 1.000 0.778 CB 1.681 37 residues pruned to eliminate duplicates Z: 8 16.158 2.106 0.482 0.800 1.000 0.714 CA 1.504 8 residues pruned to eliminate duplicates Z: 16 44.392 2.260 0.966 0.948 1.000 0.867 CB 1.781 16 residues pruned to eliminate duplicates Z: 53 53.161 2.269 0.837 0.588 0.962 0.808 CB 1.691 53 residues pruned to eliminate duplicates Z: 24 78.703 2.499 1.417 0.949 1.000 0.913 C 1.875 24 residues pruned to eliminate duplicates Z: 17 41.517 2.204 1.018 0.873 0.938 0.750 C 1.812 17 residues pruned to eliminate duplicates Z: 60 73.233 2.397 0.992 0.662 0.932 0.593 CB 1.843 60 residues pruned to eliminate duplicates Z: 37 42.679 2.272 0.855 0.588 0.944 0.694 CB 1.642 37 residues pruned to eliminate duplicates Z: 9 39.637 2.561 1.044 0.846 1.000 0.875 CA 1.988 9 residues pruned to eliminate duplicates Z: 17 33.291 2.206 0.789 0.916 0.938 0.875 CB 1.589 17 residues pruned to eliminate duplicates Z: 11 21.148 2.257 0.815 0.472 1.000 0.800 CB 1.680 11 residues pruned to eliminate duplicates Z: 38 59.623 2.424 0.912 0.687 0.946 0.838 CB 1.883 38 residues pruned to eliminate duplicates Z: 10 15.168 2.171 0.861 0.533 0.778 0.667 CA 1.557 10 residues pruned to eliminate duplicates Z: 25 18.357 2.010 0.631 0.455 0.917 0.542 CB 1.305 25 residues pruned to eliminate duplicates Z: 20 24.210 2.261 0.905 0.510 0.895 0.632 CB 1.427 20 residues pruned to eliminate duplicates Z: 9 6.459 1.635 0.440 0.417 0.875 0.625 N 1.208 9 residues pruned to eliminate duplicates Z: 176 94.623 2.270 0.885 0.605 0.943 0.714 CB 1.605 176 residues pruned to eliminate duplicates Z: 40 75.659 2.402 1.220 0.799 0.974 0.821 C 1.795 40 residues pruned to eliminate duplicates Z: 23 41.966 2.310 1.206 0.498 0.909 0.682 CB 1.936 23 residues pruned to eliminate duplicates Z: 42 57.205 2.317 0.797 0.694 1.000 0.805 CB 1.797 42 residues pruned to eliminate duplicates Z: 8 17.230 2.088 0.688 0.722 1.000 0.429 CA 1.512 8 residues pruned to eliminate duplicates Z: 126 99.606 2.413 0.957 0.628 0.944 0.768 CB 1.771 126 residues pruned to eliminate duplicates Z: 27 69.237 2.375 1.236 0.930 0.962 0.769 CB 1.859 27 residues pruned to eliminate duplicates Z: 93 86.292 2.429 1.028 0.627 0.902 0.696 CB 1.796 93 residues pruned to eliminate duplicates Z: 40 58.261 2.398 0.922 0.657 0.949 0.744 CB 1.845 40 residues pruned to eliminate duplicates Z: 7 9.513 1.888 0.522 0.641 1.000 0.333 CB 1.185 7 residues pruned to eliminate duplicates Z: 45 50.509 2.315 0.671 0.645 0.977 0.727 CB 1.758 45 residues pruned to eliminate duplicates Z: 16 28.777 2.194 0.418 0.913 0.933 0.933 C 1.810 16 residues pruned to eliminate duplicates Z: 32 28.667 2.323 0.842 0.403 0.839 0.581 CB 1.588 32 residues pruned to eliminate duplicates Z: 30 25.841 2.059 0.875 0.575 0.862 0.690 CB 1.341 30 residues pruned to eliminate duplicates Z: 28 62.205 2.356 0.946 0.930 1.000 0.852 CB 1.826 28 residues pruned to eliminate duplicates Z: 25 62.797 2.482 0.852 0.948 1.000 0.917 C 1.926 25 residues pruned to eliminate duplicates Z: 38 53.376 2.386 0.818 0.670 0.946 0.730 CB 1.828 38 residues pruned to eliminate duplicates Z: 99 79.470 2.382 1.041 0.572 0.898 0.714 CB 1.715 99 residues pruned to eliminate duplicates Z: 17 26.870 2.234 0.891 0.637 0.938 0.812 CB 1.493 17 residues pruned to eliminate duplicates Z: 26 21.502 1.734 0.929 0.694 0.960 0.720 CB 1.121 26 residues pruned to eliminate duplicates Z: 16 26.685 2.037 1.163 0.648 0.933 0.733 CB 1.460 16 residues pruned to eliminate duplicates Z: 6 14.429 2.108 0.677 0.823 1.000 0.800 CB 1.379 6 residues pruned to eliminate duplicates Z: 6 11.144 1.730 0.598 0.691 1.000 0.600 C 1.513 6 residues pruned to eliminate duplicates Z: 106 77.651 2.360 1.017 0.536 0.914 0.629 CB 1.681 106 residues pruned to eliminate duplicates Z: 8 10.899 1.915 0.684 0.685 0.714 0.429 CA 1.509 8 residues pruned to eliminate duplicates Z: 41 61.391 2.344 0.870 0.706 1.000 0.825 CB 1.837 41 residues pruned to eliminate duplicates Z: 8 21.644 2.126 0.968 0.786 1.000 0.857 N 1.520 8 residues pruned to eliminate duplicates Z: 47 69.595 2.342 1.127 0.733 0.935 0.696 CB 1.788 47 residues pruned to eliminate duplicates Z: 12 21.498 2.217 1.096 0.536 0.818 0.636 CA 1.646 12 residues pruned to eliminate duplicates Z: 8 13.880 1.931 0.677 0.836 0.857 0.714 CB 1.415 8 residues pruned to eliminate duplicates Z: 15 24.775 2.423 0.127 0.867 1.000 0.929 CB 1.774 15 residues pruned to eliminate duplicates Z: 43 49.658 2.298 0.620 0.644 0.976 0.738 CB 1.842 43 residues pruned to eliminate duplicates Z: 39 41.833 2.339 1.044 0.499 0.921 0.632 CB 1.544 39 residues pruned to eliminate duplicates Z: 26 13.016 1.970 0.780 0.274 0.760 0.280 CB 1.262 26 residues pruned to eliminate duplicates Z: 7 17.731 2.245 0.487 0.885 1.000 0.333 CA 1.565 7 residues pruned to eliminate duplicates Z: 9 12.000 1.733 0.266 0.867 1.000 0.625 CA 1.415 9 residues pruned to eliminate duplicates Z: 7 7.324 2.042 0.573 0.390 0.667 0.667 CA 1.569 7 residues pruned to eliminate duplicates Z: 6 13.602 2.295 0.488 0.846 0.800 0.600 CB 1.654 6 residues pruned to eliminate duplicates Z: 52 53.026 2.305 0.803 0.592 0.961 0.765 CB 1.702 52 residues pruned to eliminate duplicates Z: 8 15.749 2.038 0.542 0.813 1.000 0.714 CA 1.443 8 residues pruned to eliminate duplicates Z: 26 19.522 1.894 0.727 0.516 0.880 0.520 CB 1.334 26 residues pruned to eliminate duplicates Z: 20 24.348 1.944 0.852 0.599 0.947 0.684 CB 1.490 20 residues pruned to eliminate duplicates Z: 47 70.457 2.383 0.914 0.703 1.000 0.783 CB 1.892 47 residues pruned to eliminate duplicates Z: 31 31.910 2.258 0.915 0.532 0.967 0.700 CB 1.351 31 residues pruned to eliminate duplicates Z: 29 56.604 2.310 0.861 0.925 0.964 0.857 CB 1.811 29 residues pruned to eliminate duplicates Z: 25 80.807 2.500 1.413 0.960 1.000 0.875 C 1.873 25 residues pruned to eliminate duplicates Z: 16 28.559 2.357 0.311 0.886 1.000 0.867 CB 1.722 16 residues pruned to eliminate duplicates Z: 15 37.571 2.327 0.573 0.949 1.000 1.000 C 1.893 15 residues pruned to eliminate duplicates Z: 7 9.567 2.174 0.100 0.811 0.833 0.667 CB 1.495 7 residues pruned to eliminate duplicates Z: 80 57.824 2.281 0.863 0.592 0.911 0.671 CB 1.538 80 residues pruned to eliminate duplicates Z: 25 72.181 2.414 1.348 0.939 1.000 0.583 C 1.806 25 residues pruned to eliminate duplicates Z: 13 8.816 1.549 0.463 0.637 1.000 0.667 CB 0.988 Z: 37 56.089 2.399 0.874 0.689 0.972 0.694 CB 1.800 37 residues pruned to eliminate duplicates Z: 15 31.169 2.248 0.385 0.933 1.000 1.000 CB 1.867 15 residues pruned to eliminate duplicates Z: 17 21.021 2.185 0.557 0.515 0.938 0.688 CB 1.622 17 residues pruned to eliminate duplicates Z: 41 66.891 2.362 1.053 0.689 1.000 0.750 CB 1.834 41 residues pruned to eliminate duplicates Z: 20 36.926 2.306 0.774 0.688 0.947 0.789 CB 1.840 20 residues pruned to eliminate duplicates Z: 48 63.637 2.370 0.855 0.685 0.979 0.809 CB 1.821 48 residues pruned to eliminate duplicates Z: 17 25.617 1.906 0.990 0.657 1.000 0.625 CB 1.459 17 residues pruned to eliminate duplicates Z: 24 17.946 1.667 0.803 0.689 0.957 0.609 CB 1.095 24 residues pruned to eliminate duplicates Z: 20 9.327 1.520 0.267 0.767 1.000 0.842 CB 0.877 13 residues pruned to eliminate duplicates Z: 25 63.376 2.529 0.796 0.944 1.000 0.917 CB 1.973 25 residues pruned to eliminate duplicates Z: 11 20.762 2.126 1.196 0.558 0.900 0.700 CB 1.476 11 residues pruned to eliminate duplicates Z: 9 22.952 2.314 1.447 0.608 0.875 0.625 CB 1.477 9 residues pruned to eliminate duplicates Z: 7 8.665 1.795 1.125 0.431 0.667 0.500 CB 1.495 7 residues pruned to eliminate duplicates Z: 138 95.256 2.365 0.916 0.620 0.934 0.715 CB 1.716 138 residues pruned to eliminate duplicates Z: 80 57.228 2.298 0.807 0.555 0.911 0.696 CB 1.614 80 residues pruned to eliminate duplicates Z: 6 5.193 2.013 0.009 0.567 0.800 0.600 CB 1.339 6 residues pruned to eliminate duplicates Z: 27 63.639 2.373 0.949 0.921 1.000 0.769 CB 1.899 27 residues pruned to eliminate duplicates Z: 33 31.345 2.284 0.981 0.434 0.812 0.656 CB 1.614 33 residues pruned to eliminate duplicates Z: 25 71.682 2.505 1.093 0.954 1.000 0.917 C 1.919 25 residues pruned to eliminate duplicates Z: 76 73.365 2.298 1.152 0.636 0.933 0.693 CB 1.615 76 residues pruned to eliminate duplicates Z: 16 14.055 2.047 0.666 0.403 0.867 0.467 CB 1.360 16 residues pruned to eliminate duplicates Z: 8 16.228 2.071 0.328 0.865 1.000 0.571 CA 1.634 8 residues pruned to eliminate duplicates Z: 33 16.062 1.592 0.582 0.681 0.969 0.625 CB 0.985 53 residues pruned to eliminate duplicates Z: 19 8.860 1.519 0.236 0.755 1.000 0.833 CB 0.887 Z: 17 26.289 2.306 0.886 0.443 0.938 0.625 CA 1.708 17 residues pruned to eliminate duplicates Z: 16 28.414 2.321 0.422 0.848 1.000 0.800 CB 1.650 16 residues pruned to eliminate duplicates Z: 48 59.391 2.341 0.795 0.657 1.000 0.766 CB 1.782 48 residues pruned to eliminate duplicates Z: 47 61.594 2.386 1.034 0.672 0.913 0.652 CB 1.749 47 residues pruned to eliminate duplicates Z: 26 25.380 2.171 0.845 0.435 0.840 0.600 CB 1.613 26 residues pruned to eliminate duplicates Z: 44 49.071 2.210 1.086 0.621 0.953 0.698 CB 1.518 44 residues pruned to eliminate duplicates Z: 18 25.751 2.223 0.228 0.897 1.000 0.882 CA 1.638 18 residues pruned to eliminate duplicates Z: 8 5.263 1.842 0.766 0.483 0.571 0.571 CB 1.089 8 residues pruned to eliminate duplicates Z: 17 33.619 2.542 0.545 0.695 0.938 0.750 CB 1.909 17 residues pruned to eliminate duplicates Z: 37 22.183 1.659 0.723 0.707 0.972 0.694 CB 1.102 56 residues pruned to eliminate duplicates Z: 70 64.857 2.354 1.066 0.584 0.884 0.638 CB 1.676 70 residues pruned to eliminate duplicates Z: 20 26.600 2.379 0.787 0.333 0.895 0.421 C 1.925 20 residues pruned to eliminate duplicates Z: 25 78.449 2.502 1.271 0.965 1.000 0.875 C 1.924 25 residues pruned to eliminate duplicates Z: 16 25.223 2.226 0.249 0.887 1.000 0.867 CB 1.688 16 residues pruned to eliminate duplicates Z: 33 21.143 1.689 0.775 0.705 0.969 0.844 CB 1.068 33 residues pruned to eliminate duplicates Z: 17 23.822 2.202 0.179 0.885 1.000 0.938 CB 1.657 17 residues pruned to eliminate duplicates Z: 10 13.520 2.032 0.551 0.639 0.889 0.556 C 1.412 10 residues pruned to eliminate duplicates Z: 51 68.693 2.420 1.149 0.681 0.880 0.720 CB 1.797 51 residues pruned to eliminate duplicates Z: 7 24.366 2.063 1.058 0.872 1.000 1.000 CA 1.707 7 residues pruned to eliminate duplicates Z: 12 14.368 2.230 1.126 0.432 0.727 0.727 CB 1.349 12 residues pruned to eliminate duplicates Z: 42 50.484 2.326 0.682 0.657 0.976 0.659 CB 1.785 42 residues pruned to eliminate duplicates Z: 37 60.937 2.336 1.078 0.695 0.972 0.611 CB 1.800 37 residues pruned to eliminate duplicates Z: 43 58.294 2.323 1.010 0.705 0.952 0.643 CB 1.678 43 residues pruned to eliminate duplicates Z: 44 50.456 2.310 0.770 0.638 0.953 0.721 CB 1.734 44 residues pruned to eliminate duplicates Z: 50 59.079 2.360 0.834 0.632 0.959 0.755 CB 1.796 50 residues pruned to eliminate duplicates Z: 84 65.465 2.284 0.736 0.611 0.976 0.783 CB 1.672 84 residues pruned to eliminate duplicates Z: 49 36.712 2.333 0.803 0.391 0.854 0.417 CB 1.656 49 residues pruned to eliminate duplicates Z: 38 24.711 2.192 0.736 0.398 0.838 0.432 CB 1.418 38 residues pruned to eliminate duplicates Z: 6 9.632 2.092 0.325 0.554 1.000 0.600 CA 1.473 6 residues pruned to eliminate duplicates Z: 17 25.476 1.941 1.052 0.656 1.000 0.812 CB 1.384 17 residues pruned to eliminate duplicates Z: 25 48.626 2.294 1.026 0.730 0.958 0.667 CB 1.812 25 residues pruned to eliminate duplicates Z: 37 41.790 2.196 0.812 0.600 0.944 0.806 CB 1.685 37 residues pruned to eliminate duplicates Z: 9 43.802 2.516 1.245 0.893 1.000 1.000 CA 1.968 9 residues pruned to eliminate duplicates Z: 42 49.399 2.296 0.713 0.674 0.951 0.780 CB 1.757 42 residues pruned to eliminate duplicates Z: 7 11.004 1.929 0.605 0.853 0.833 0.833 CB 1.286 7 residues pruned to eliminate duplicates Z: 17 20.524 2.066 0.855 0.524 0.938 0.875 CB 1.395 17 residues pruned to eliminate duplicates Z: 10 13.633 1.966 0.739 0.467 1.000 0.667 CB 1.375 10 residues pruned to eliminate duplicates Z: 8 7.135 1.491 0.550 0.839 1.000 0.571 CB 0.871 Z: 89 76.613 2.384 0.995 0.587 0.943 0.727 CB 1.676 89 residues pruned to eliminate duplicates Z: 31 50.681 2.402 0.699 0.706 1.000 0.800 CB 1.879 31 residues pruned to eliminate duplicates Z: 10 10.280 2.240 0.270 0.344 0.889 0.222 CB 1.606 10 residues pruned to eliminate duplicates Z: 37 27.784 2.194 0.740 0.420 0.833 0.556 CB 1.582 37 residues pruned to eliminate duplicates Z: 33 57.993 2.399 0.916 0.743 0.969 0.844 CB 1.852 33 residues pruned to eliminate duplicates Z: 10 3.224 1.626 0.144 0.375 0.556 0.556 C 1.189 10 residues pruned to eliminate duplicates Z: 16 32.188 2.041 0.746 0.927 1.000 0.600 C 1.634 16 residues pruned to eliminate duplicates Z: 51 67.579 2.371 1.024 0.648 0.980 0.760 CB 1.771 52 residues pruned to eliminate duplicates Z: 44 47.175 2.285 0.572 0.680 0.977 0.791 CB 1.738 44 residues pruned to eliminate duplicates Z: 16 36.114 2.357 0.957 0.696 1.000 0.667 C 1.690 16 residues pruned to eliminate duplicates Z: 25 73.967 2.483 1.232 0.944 1.000 0.792 C 1.887 25 residues pruned to eliminate duplicates Z: 9 38.039 2.517 1.111 0.885 1.000 0.750 CB 1.827 9 residues pruned to eliminate duplicates Z: 14 16.281 2.154 0.658 0.452 0.923 0.769 CB 1.438 14 residues pruned to eliminate duplicates Z: 15 26.887 1.926 1.144 0.704 1.000 0.857 CA 1.446 15 residues pruned to eliminate duplicates Z: 13 16.648 2.090 0.465 0.635 0.917 0.750 CB 1.509 13 residues pruned to eliminate duplicates Z: 9 5.291 1.465 0.378 0.466 0.875 0.500 CB 1.097 7 residues pruned to eliminate duplicates Z: 80 64.413 2.295 1.062 0.620 0.886 0.646 CB 1.543 88 residues pruned to eliminate duplicates Z: 19 38.104 2.346 0.759 0.670 1.000 0.778 CB 1.859 19 residues pruned to eliminate duplicates Z: 13 12.483 1.901 0.531 0.480 0.833 0.583 C 1.516 13 residues pruned to eliminate duplicates Z: 16 28.837 2.314 0.676 0.705 0.933 0.533 C 1.707 16 residues pruned to eliminate duplicates Z: 26 65.734 2.493 0.990 0.934 0.960 0.920 CB 1.926 26 residues pruned to eliminate duplicates Z: 41 35.689 2.252 0.720 0.507 0.875 0.525 CB 1.654 41 residues pruned to eliminate duplicates Z: 20 12.373 1.944 0.498 0.397 0.842 0.684 CB 1.290 20 residues pruned to eliminate duplicates Z: 73 65.777 2.348 0.969 0.589 0.931 0.708 CB 1.654 73 residues pruned to eliminate duplicates Z: 6 4.931 1.755 0.318 0.329 1.000 0.600 CB 1.150 6 residues pruned to eliminate duplicates Z: 30 40.575 2.454 0.804 0.506 0.897 0.448 CB 1.887 30 residues pruned to eliminate duplicates Z: 33 46.646 2.493 0.941 0.550 0.844 0.594 CB 1.924 33 residues pruned to eliminate duplicates Z: 69 63.867 2.362 1.007 0.603 0.897 0.632 CB 1.650 69 residues pruned to eliminate duplicates Z: 28 26.876 2.051 0.756 0.492 0.889 0.704 CB 1.630 28 residues pruned to eliminate duplicates Z: 14 12.216 2.067 0.691 0.376 0.692 0.692 CB 1.598 14 residues pruned to eliminate duplicates Z: 26 27.654 2.244 0.849 0.401 0.840 0.520 CB 1.761 26 residues pruned to eliminate duplicates Z: 51 64.386 2.339 1.000 0.754 0.920 0.720 CB 1.688 51 residues pruned to eliminate duplicates Z: 45 59.156 2.310 0.860 0.676 0.977 0.795 CB 1.806 45 residues pruned to eliminate duplicates Z: 16 44.200 2.197 1.008 0.938 1.000 0.800 C 1.798 16 residues pruned to eliminate duplicates Z: 50 29.924 2.205 0.691 0.389 0.857 0.469 CB 1.504 50 residues pruned to eliminate duplicates Z: 49 64.452 2.386 0.869 0.655 1.000 0.812 CB 1.806 50 residues pruned to eliminate duplicates Z: 17 9.816 1.758 0.620 0.379 0.875 0.500 CB 1.120 17 residues pruned to eliminate duplicates Z: 77 77.963 2.404 1.150 0.623 0.895 0.684 CB 1.722 77 residues pruned to eliminate duplicates Z: 49 64.124 2.394 0.850 0.656 0.979 0.750 CB 1.846 49 residues pruned to eliminate duplicates Z: 13 31.884 2.507 0.650 0.686 1.000 0.750 C 1.876 13 residues pruned to eliminate duplicates Z: 10 12.148 2.000 1.120 0.454 0.889 0.444 CB 1.126 10 residues pruned to eliminate duplicates Z: 14 14.452 2.049 0.916 0.368 1.000 0.692 CB 1.176 14 residues pruned to eliminate duplicates Z: 14 14.936 1.839 0.842 0.510 0.846 0.538 CB 1.430 14 residues pruned to eliminate duplicates Z: 10 14.514 1.947 0.640 0.528 1.000 0.778 CB 1.475 10 residues pruned to eliminate duplicates Z: 46 30.472 2.213 0.655 0.424 0.844 0.467 CB 1.589 46 residues pruned to eliminate duplicates Z: 10 18.445 2.153 0.478 0.787 0.889 0.667 CA 1.689 10 residues pruned to eliminate duplicates Z: 70 76.451 2.376 1.067 0.653 0.957 0.783 CB 1.700 70 residues pruned to eliminate duplicates Z: 37 19.914 1.636 0.689 0.686 1.000 0.611 CB 1.013 37 residues pruned to eliminate duplicates Z: 8 14.411 2.295 0.055 0.846 1.000 0.857 CA 1.672 8 residues pruned to eliminate duplicates Z: 24 39.227 2.337 0.676 0.684 1.000 0.783 CB 1.764 24 residues pruned to eliminate duplicates Z: 10 12.270 1.874 0.705 0.710 1.000 0.667 N 1.058 Z: 23 31.955 2.173 0.643 0.786 0.909 0.591 CB 1.633 23 residues pruned to eliminate duplicates Z: 11 13.043 1.862 0.545 0.535 1.000 0.400 CB 1.385 11 residues pruned to eliminate duplicates Z: 21 43.003 2.269 0.991 0.729 1.000 0.650 CB 1.731 21 residues pruned to eliminate duplicates Z: 21 19.615 1.954 0.659 0.567 0.850 0.700 CB 1.491 21 residues pruned to eliminate duplicates Z: 53 49.092 2.320 0.888 0.540 0.942 0.731 CB 1.586 53 residues pruned to eliminate duplicates Z: 130 99.258 2.387 0.952 0.606 0.961 0.698 CB 1.764 130 residues pruned to eliminate duplicates Z: 7 4.953 1.755 0.994 0.705 0.833 0.833 CB 0.576 Z: 9 4.597 1.790 0.650 0.243 0.750 0.375 CB 0.988 9 residues pruned to eliminate duplicates Z: 37 54.561 2.338 0.749 0.716 1.000 0.889 CB 1.828 37 residues pruned to eliminate duplicates Z: 36 68.297 2.334 1.196 0.785 0.971 0.743 C 1.804 36 residues pruned to eliminate duplicates Z: 10 15.259 2.026 0.689 0.543 0.889 0.778 CA 1.603 10 residues pruned to eliminate duplicates Z: 8 3.873 1.442 0.827 0.341 0.857 0.429 CA 0.771 Z: 6 10.045 1.652 0.598 0.883 1.000 0.800 CB 1.231 Z: 41 58.961 2.388 0.884 0.649 1.000 0.800 CB 1.804 41 residues pruned to eliminate duplicates Z: 38 49.975 2.361 0.822 0.671 0.892 0.649 CB 1.829 38 residues pruned to eliminate duplicates Z: 21 29.412 2.320 0.961 0.460 0.900 0.700 CB 1.674 21 residues pruned to eliminate duplicates Z: 8 8.763 1.748 0.321 0.821 1.000 0.714 CB 1.085 8 residues pruned to eliminate duplicates Z: 14 12.442 2.241 0.418 0.247 0.846 0.231 CB 1.719 14 residues pruned to eliminate duplicates Z: 40 67.670 2.441 1.190 0.642 0.949 0.795 CB 1.871 40 residues pruned to eliminate duplicates Z: 90 74.688 2.324 1.038 0.599 0.933 0.607 CB 1.632 90 residues pruned to eliminate duplicates Z: 105 81.263 2.373 0.830 0.628 0.942 0.760 CB 1.726 105 residues pruned to eliminate duplicates Z: 6 6.836 1.526 0.284 0.766 1.000 0.800 N 1.232 Z: 37 54.317 2.383 0.876 0.675 0.944 0.667 CB 1.826 37 residues pruned to eliminate duplicates Z: 16 35.858 2.306 0.684 0.946 1.000 0.867 CB 1.649 16 residues pruned to eliminate duplicates Z: 25 73.478 2.434 1.306 0.927 1.000 0.750 C 1.873 25 residues pruned to eliminate duplicates Z: 22 34.482 2.186 0.717 0.644 1.000 0.857 CB 1.752 22 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 16 16.915 2.240 1.055 0.345 0.667 0.467 CB 1.684 16 residues pruned to eliminate duplicates Z: 10 31.367 2.561 1.252 0.539 0.889 0.667 CA 1.963 10 residues pruned to eliminate duplicates Z: 10 30.937 2.425 1.241 0.555 0.889 0.667 CA 2.023 10 residues pruned to eliminate duplicates Z: 13 18.545 2.299 1.049 0.446 0.667 0.583 C 1.802 13 residues pruned to eliminate duplicates Z: 11 25.218 2.344 1.246 0.593 0.800 0.700 CB 1.732 11 residues pruned to eliminate duplicates Z: 10 30.661 2.482 1.303 0.626 0.889 0.667 CA 1.786 10 residues pruned to eliminate duplicates Z: 10 26.249 2.578 1.111 0.541 0.778 0.667 CB 1.986 10 residues pruned to eliminate duplicates Z: 11 21.903 2.530 1.126 0.484 0.700 0.600 CB 1.869 11 residues pruned to eliminate duplicates Z: 10 18.059 2.506 0.786 0.429 0.778 0.444 CB 1.861 10 residues pruned to eliminate duplicates Z: 74 33.920 2.005 0.680 0.478 0.904 0.534 CB 1.333 74 residues pruned to eliminate duplicates Z: 10 5.624 1.674 0.639 0.455 0.889 0.333 CB 0.805 10 residues pruned to eliminate duplicates Z: 10 5.041 1.674 0.460 0.353 1.000 0.333 CB 0.806 10 residues pruned to eliminate duplicates Z: 37 28.099 2.276 0.763 0.400 0.833 0.556 CB 1.555 37 residues pruned to eliminate duplicates Z: 138 88.530 2.358 0.832 0.591 0.927 0.672 CB 1.730 138 residues pruned to eliminate duplicates Z: 127 93.066 2.403 0.902 0.584 0.960 0.690 CB 1.742 127 residues pruned to eliminate duplicates Z: 144 97.095 2.411 0.864 0.583 0.951 0.699 CB 1.755 144 residues pruned to eliminate duplicates Z: 42 29.928 2.249 0.810 0.375 0.829 0.537 CB 1.583 42 residues pruned to eliminate duplicates Z: 146 91.526 2.377 0.843 0.587 0.938 0.710 CB 1.703 146 residues pruned to eliminate duplicates Z: 116 66.681 2.160 0.901 0.580 0.930 0.661 CB 1.507 116 residues pruned to eliminate duplicates Z: 42 25.936 2.188 0.695 0.346 0.878 0.439 CB 1.470 42 residues pruned to eliminate duplicates Z: 26 30.656 2.260 0.841 0.403 0.920 0.560 CB 1.773 26 residues pruned to eliminate duplicates Z: 21 25.681 2.371 0.887 0.401 0.800 0.400 CB 1.782 21 residues pruned to eliminate duplicates Z: 86 66.084 2.359 0.832 0.572 0.906 0.671 CB 1.707 86 residues pruned to eliminate duplicates Z: 21 27.053 2.412 0.797 0.407 0.800 0.500 CB 1.923 21 residues pruned to eliminate duplicates Z: 79 76.249 2.456 0.950 0.573 0.949 0.641 CB 1.770 79 residues pruned to eliminate duplicates Z: 20 32.326 2.443 1.033 0.401 0.842 0.421 CB 1.968 20 residues pruned to eliminate duplicates Z: 80 72.764 2.411 0.994 0.598 0.924 0.671 CB 1.678 80 residues pruned to eliminate duplicates Z: 82 70.488 2.351 0.871 0.589 0.938 0.593 CB 1.743 82 residues pruned to eliminate duplicates Z: 78 67.182 2.361 0.973 0.567 0.922 0.662 CB 1.670 78 residues pruned to eliminate duplicates Z: 44 27.647 2.187 0.739 0.363 0.791 0.442 CB 1.624 44 residues pruned to eliminate duplicates Z: 48 25.142 1.857 0.685 0.505 0.936 0.511 CB 1.245 48 residues pruned to eliminate duplicates Z: 125 98.669 2.433 0.953 0.625 0.919 0.750 CB 1.803 125 residues pruned to eliminate duplicates Z: 31 22.997 2.155 0.707 0.410 0.833 0.400 CB 1.505 31 residues pruned to eliminate duplicates Z: 32 24.257 2.124 0.691 0.455 0.903 0.419 CB 1.406 32 residues pruned to eliminate duplicates Z: 124 104.194 2.451 0.916 0.642 0.976 0.756 CB 1.796 124 residues pruned to eliminate duplicates Z: 12 14.432 2.437 0.761 0.173 0.909 0.000 CB 1.657 12 residues pruned to eliminate duplicates Z: 8 9.505 2.177 0.885 0.206 0.857 0.000 CB 1.446 8 residues pruned to eliminate duplicates Z: 13 10.545 2.277 0.712 0.202 0.750 0.167 CB 1.484 13 residues pruned to eliminate duplicates Z: 81 68.945 2.344 0.928 0.570 0.913 0.637 CB 1.747 81 residues pruned to eliminate duplicates Z: 28 39.869 2.549 0.841 0.510 0.852 0.519 CB 1.900 28 residues pruned to eliminate duplicates Z: 61 70.798 2.419 0.966 0.637 0.933 0.650 CB 1.810 61 residues pruned to eliminate duplicates Z: 142 100.690 2.398 0.916 0.604 0.957 0.702 CB 1.745 142 residues pruned to eliminate duplicates Z: 125 98.216 2.432 0.891 0.635 0.952 0.766 CB 1.776 125 residues pruned to eliminate duplicates Z: 135 98.166 2.380 0.969 0.621 0.948 0.701 CB 1.703 135 residues pruned to eliminate duplicates Z: 136 106.213 2.409 0.999 0.629 0.948 0.704 CB 1.773 136 residues pruned to eliminate duplicates Z: 110 80.585 2.391 0.953 0.551 0.917 0.670 CB 1.714 110 residues pruned to eliminate duplicates Z: 71 78.962 2.404 1.140 0.637 0.957 0.714 CB 1.686 71 residues pruned to eliminate duplicates Z: 106 100.069 2.417 1.013 0.659 0.981 0.781 CB 1.766 106 residues pruned to eliminate duplicates Z: 144 100.034 2.408 0.936 0.595 0.944 0.692 CB 1.736 144 residues pruned to eliminate duplicates Z: 60 80.536 2.435 1.152 0.655 0.915 0.661 CB 1.892 60 residues pruned to eliminate duplicates Z: 108 76.321 2.296 1.004 0.550 0.916 0.636 CB 1.668 108 residues pruned to eliminate duplicates Z: 64 88.026 2.496 1.180 0.668 0.937 0.651 CB 1.864 64 residues pruned to eliminate duplicates Z: 120 96.036 2.422 0.940 0.597 0.966 0.689 CB 1.768 120 residues pruned to eliminate duplicates Z: 87 83.950 2.408 1.093 0.598 0.942 0.674 CB 1.738 87 residues pruned to eliminate duplicates Z: 126 99.979 2.413 0.923 0.609 0.976 0.672 CB 1.781 126 residues pruned to eliminate duplicates Z: 75 60.812 2.261 0.958 0.601 0.878 0.595 CB 1.651 75 residues pruned to eliminate duplicates Z: 139 100.035 2.390 0.943 0.606 0.957 0.696 CB 1.733 139 residues pruned to eliminate duplicates Z: 125 104.405 2.446 0.937 0.631 0.968 0.758 CB 1.807 125 residues pruned to eliminate duplicates Z: 144 99.270 2.411 0.955 0.596 0.923 0.685 CB 1.741 144 residues pruned to eliminate duplicates Z: 60 71.015 2.429 1.041 0.651 0.915 0.678 CB 1.770 60 residues pruned to eliminate duplicates Z: 117 82.257 2.349 1.002 0.579 0.897 0.664 CB 1.679 117 residues pruned to eliminate duplicates Z: 90 80.887 2.407 1.072 0.589 0.910 0.685 CB 1.735 90 residues pruned to eliminate duplicates Z: 80 68.226 2.327 1.057 0.565 0.899 0.620 CB 1.675 80 residues pruned to eliminate duplicates Z: 124 97.557 2.420 0.958 0.614 0.935 0.724 CB 1.783 124 residues pruned to eliminate duplicates Z: 68 79.202 2.373 1.070 0.643 0.985 0.716 CB 1.748 68 residues pruned to eliminate duplicates Z: 68 72.146 2.322 1.072 0.657 0.910 0.627 CB 1.739 68 residues pruned to eliminate duplicates Z: 125 101.247 2.431 0.967 0.630 0.935 0.718 CB 1.798 125 residues pruned to eliminate duplicates Z: 111 78.477 2.323 1.002 0.560 0.918 0.627 CB 1.653 111 residues pruned to eliminate duplicates Z: 106 95.142 2.405 0.988 0.667 0.952 0.819 CB 1.747 106 residues pruned to eliminate duplicates Z: 65 73.009 2.363 1.089 0.640 0.922 0.641 CB 1.759 65 residues pruned to eliminate duplicates Z: 107 97.987 2.408 1.006 0.657 0.962 0.708 CB 1.769 107 residues pruned to eliminate duplicates Z: 124 102.385 2.445 1.005 0.625 0.927 0.715 CB 1.805 124 residues pruned to eliminate duplicates Z: 85 71.503 2.342 1.033 0.564 0.893 0.595 CB 1.724 85 residues pruned to eliminate duplicates Z: 144 92.837 2.341 0.939 0.613 0.916 0.671 CB 1.677 144 residues pruned to eliminate duplicates Z: 88 91.983 2.436 1.146 0.605 0.954 0.701 CB 1.789 88 residues pruned to eliminate duplicates Z: 106 99.255 2.419 0.988 0.673 0.962 0.714 CB 1.785 106 residues pruned to eliminate duplicates Z: 137 101.337 2.379 0.966 0.623 0.956 0.721 CB 1.731 137 residues pruned to eliminate duplicates Z: 61 55.073 2.373 0.800 0.579 0.950 0.717 CB 1.624 61 residues pruned to eliminate duplicates Z: 126 104.570 2.424 0.986 0.638 0.960 0.696 CB 1.778 126 residues pruned to eliminate duplicates Z: 145 93.310 2.358 0.903 0.566 0.944 0.694 CB 1.721 145 residues pruned to eliminate duplicates Z: 70 87.255 2.409 1.137 0.682 0.971 0.783 CB 1.777 70 residues pruned to eliminate duplicates Z: 107 88.145 2.431 0.938 0.616 0.925 0.755 CB 1.761 107 residues pruned to eliminate duplicates Z: 108 102.264 2.428 1.041 0.660 0.972 0.794 CB 1.770 108 residues pruned to eliminate duplicates Z: 85 76.464 2.394 0.919 0.587 0.952 0.714 CB 1.754 85 residues pruned to eliminate duplicates Z: 125 103.608 2.446 0.967 0.618 0.960 0.742 CB 1.802 125 residues pruned to eliminate duplicates Z: 100 71.357 2.335 0.955 0.534 0.929 0.616 CB 1.635 100 residues pruned to eliminate duplicates Z: 148 92.062 2.309 0.933 0.597 0.946 0.701 CB 1.639 148 residues pruned to eliminate duplicates Z: 62 66.802 2.356 1.026 0.640 0.951 0.689 CB 1.653 62 residues pruned to eliminate duplicates Z: 123 102.844 2.437 0.944 0.629 0.967 0.730 CB 1.800 123 residues pruned to eliminate duplicates Z: 145 101.072 2.385 0.964 0.587 0.944 0.667 CB 1.752 145 residues pruned to eliminate duplicates Z: 90 76.415 2.379 1.074 0.558 0.921 0.652 CB 1.684 90 residues pruned to eliminate duplicates Z: 139 94.421 2.349 0.950 0.602 0.935 0.696 CB 1.703 139 residues pruned to eliminate duplicates Z: 74 68.619 2.327 1.031 0.599 0.932 0.712 CB 1.661 74 residues pruned to eliminate duplicates Z: 138 96.274 2.365 0.946 0.608 0.934 0.693 CB 1.726 138 residues pruned to eliminate duplicates Z: 106 95.304 2.396 0.951 0.674 0.952 0.743 CB 1.781 106 residues pruned to eliminate duplicates Z: 151 104.810 2.374 0.990 0.608 0.940 0.693 CB 1.739 151 residues pruned to eliminate duplicates Z: 137 90.932 2.364 0.951 0.581 0.912 0.691 CB 1.715 137 residues pruned to eliminate duplicates Z: 71 81.624 2.396 1.169 0.655 0.957 0.786 CB 1.699 71 residues pruned to eliminate duplicates Z: 59 61.167 2.382 0.771 0.594 0.966 0.828 CB 1.803 59 residues pruned to eliminate duplicates Z: 70 64.362 2.382 0.783 0.595 0.957 0.754 CB 1.741 70 residues pruned to eliminate duplicates Z: 127 88.083 2.378 0.936 0.560 0.921 0.651 CB 1.746 127 residues pruned to eliminate duplicates Z: 138 97.811 2.372 0.963 0.605 0.942 0.752 CB 1.726 138 residues pruned to eliminate duplicates Z: 125 105.592 2.433 1.019 0.633 0.952 0.742 CB 1.790 125 residues pruned to eliminate duplicates Z: 125 106.112 2.445 0.963 0.644 0.968 0.774 CB 1.794 125 residues pruned to eliminate duplicates Z: 125 103.607 2.438 0.948 0.630 0.968 0.702 CB 1.792 125 residues pruned to eliminate duplicates Z: 125 100.779 2.440 0.965 0.634 0.935 0.766 CB 1.779 125 residues pruned to eliminate duplicates Z: 41 56.177 2.442 0.631 0.702 1.000 0.800 CB 1.855 41 residues pruned to eliminate duplicates Z: 42 52.168 2.339 0.628 0.668 1.000 0.780 CB 1.831 42 residues pruned to eliminate duplicates Z: 43 53.804 2.322 0.765 0.654 0.976 0.738 CB 1.799 43 residues pruned to eliminate duplicates Z: 127 92.850 2.412 0.844 0.621 0.937 0.706 CB 1.771 127 residues pruned to eliminate duplicates Z: 41 51.681 2.364 0.683 0.633 0.975 0.750 CB 1.860 41 residues pruned to eliminate duplicates Z: 42 51.362 2.290 0.722 0.671 1.000 0.780 CB 1.736 42 residues pruned to eliminate duplicates Z: 43 50.400 2.314 0.695 0.648 0.976 0.738 CB 1.769 43 residues pruned to eliminate duplicates Z: 41 54.707 2.338 0.850 0.663 0.975 0.800 CB 1.763 41 residues pruned to eliminate duplicates Z: 80 76.748 2.291 0.880 0.677 0.937 0.734 CB 1.819 80 residues pruned to eliminate duplicates Z: 104 94.556 2.412 0.914 0.673 0.971 0.777 CB 1.772 104 residues pruned to eliminate duplicates Z: 41 53.650 2.382 0.645 0.683 1.000 0.800 CB 1.830 41 residues pruned to eliminate duplicates Z: 24 37.869 2.358 0.637 0.678 0.957 0.652 CB 1.815 24 residues pruned to eliminate duplicates Z: 125 103.512 2.430 0.967 0.623 0.960 0.710 CB 1.804 125 residues pruned to eliminate duplicates Z: 131 99.790 2.386 0.962 0.617 0.954 0.662 CB 1.755 131 residues pruned to eliminate duplicates Z: 42 55.743 2.338 0.764 0.658 1.000 0.683 CB 1.823 42 residues pruned to eliminate duplicates Z: 41 55.027 2.352 0.775 0.657 0.975 0.800 CB 1.847 41 residues pruned to eliminate duplicates Z: 44 57.417 2.367 0.794 0.656 0.977 0.721 CB 1.827 44 residues pruned to eliminate duplicates Z: 124 103.520 2.429 0.948 0.641 0.959 0.740 CB 1.801 124 residues pruned to eliminate duplicates Z: 139 97.249 2.377 0.940 0.614 0.949 0.703 CB 1.697 139 residues pruned to eliminate duplicates Z: 42 51.025 2.321 0.712 0.662 0.976 0.732 CB 1.770 42 residues pruned to eliminate duplicates Z: 42 54.076 2.354 0.775 0.663 0.976 0.805 CB 1.781 42 residues pruned to eliminate duplicates Z: 97 91.125 2.386 0.958 0.641 0.948 0.729 CB 1.841 97 residues pruned to eliminate duplicates Z: 41 56.262 2.393 0.759 0.674 0.975 0.700 CB 1.846 41 residues pruned to eliminate duplicates Z: 44 60.862 2.393 0.733 0.686 1.000 0.791 CB 1.887 44 residues pruned to eliminate duplicates Z: 107 106.251 2.414 1.041 0.691 0.972 0.774 CB 1.810 107 residues pruned to eliminate duplicates Z: 41 55.461 2.384 0.690 0.692 1.000 0.775 CB 1.826 41 residues pruned to eliminate duplicates Z: 96 88.840 2.411 0.911 0.647 0.937 0.674 CB 1.840 96 residues pruned to eliminate duplicates Z: 98 82.340 2.389 0.897 0.626 0.918 0.680 CB 1.785 98 residues pruned to eliminate duplicates Z: 42 51.064 2.323 0.619 0.677 1.000 0.756 CB 1.802 42 residues pruned to eliminate duplicates Z: 43 41.677 2.249 0.710 0.611 0.881 0.762 CB 1.709 43 residues pruned to eliminate duplicates Z: 39 58.048 2.458 0.703 0.702 1.000 0.842 CB 1.871 39 residues pruned to eliminate duplicates Z: 42 55.493 2.358 0.808 0.655 0.976 0.707 CB 1.803 42 residues pruned to eliminate duplicates Z: 60 55.951 2.314 0.720 0.588 0.966 0.780 CB 1.740 60 residues pruned to eliminate duplicates Z: 73 67.703 2.388 0.796 0.625 0.958 0.778 CB 1.726 73 residues pruned to eliminate duplicates Z: 125 104.978 2.443 0.977 0.642 0.952 0.742 CB 1.796 125 residues pruned to eliminate duplicates Z: 42 57.054 2.345 0.802 0.686 1.000 0.829 CB 1.778 42 residues pruned to eliminate duplicates Z: 40 64.596 2.433 0.849 0.713 1.000 0.846 CB 1.896 40 residues pruned to eliminate duplicates Z: 41 57.684 2.336 0.880 0.665 0.975 0.775 CB 1.828 41 residues pruned to eliminate duplicates Z: 55 56.157 2.344 0.930 0.603 0.889 0.704 CB 1.723 55 residues pruned to eliminate duplicates Z: 62 59.807 2.352 0.898 0.560 0.918 0.689 CB 1.762 62 residues pruned to eliminate duplicates Z: 7 4.667 1.865 0.558 0.191 0.667 0.500 CA 1.423 7 residues pruned to eliminate duplicates Z: 24 21.761 2.256 0.764 0.471 0.739 0.609 CB 1.588 24 residues pruned to eliminate duplicates Z: 25 25.605 2.163 0.785 0.461 0.875 0.500 CB 1.610 25 residues pruned to eliminate duplicates Z: 21 14.913 1.969 0.620 0.439 0.850 0.550 CB 1.310 21 residues pruned to eliminate duplicates Z: 73 74.288 2.380 1.002 0.584 0.958 0.694 CB 1.768 73 residues pruned to eliminate duplicates Z: 72 72.207 2.399 0.991 0.610 0.930 0.718 CB 1.738 72 residues pruned to eliminate duplicates Z: 81 66.493 2.349 0.959 0.563 0.900 0.675 CB 1.689 81 residues pruned to eliminate duplicates Z: 45 29.860 2.296 0.895 0.407 0.773 0.500 CB 1.477 45 residues pruned to eliminate duplicates Z: 39 25.758 2.178 0.798 0.395 0.868 0.447 CB 1.373 39 residues pruned to eliminate duplicates Z: 31 24.425 2.205 0.904 0.344 0.833 0.433 CB 1.509 31 residues pruned to eliminate duplicates Z: 79 59.392 2.358 0.841 0.545 0.897 0.615 CB 1.653 79 residues pruned to eliminate duplicates Z: 67 61.806 2.341 0.873 0.607 0.939 0.667 CB 1.669 67 residues pruned to eliminate duplicates Z: 10 7.721 2.257 0.572 0.159 0.889 0.111 CB 1.238 10 residues pruned to eliminate duplicates Z: 11 9.462 2.231 0.662 0.235 0.800 0.100 CB 1.374 11 residues pruned to eliminate duplicates Z: 73 67.717 2.383 0.998 0.589 0.917 0.694 CB 1.680 73 residues pruned to eliminate duplicates Z: 68 61.472 2.404 0.937 0.618 0.881 0.716 CB 1.639 68 residues pruned to eliminate duplicates Z: 10 5.976 2.167 0.636 0.163 0.667 0.111 CB 1.271 10 residues pruned to eliminate duplicates Z: 74 59.080 2.347 0.867 0.572 0.904 0.616 CB 1.627 74 residues pruned to eliminate duplicates Z: 46 61.351 2.438 0.860 0.697 0.956 0.778 CB 1.764 46 residues pruned to eliminate duplicates Z: 72 64.100 2.345 0.845 0.608 0.958 0.662 CB 1.657 72 residues pruned to eliminate duplicates Z: 76 62.121 2.353 0.887 0.564 0.907 0.667 CB 1.675 76 residues pruned to eliminate duplicates Z: 65 59.463 2.377 0.820 0.615 0.906 0.719 CB 1.700 65 residues pruned to eliminate duplicates Z: 79 64.313 2.376 0.927 0.563 0.897 0.667 CB 1.666 79 residues pruned to eliminate duplicates Z: 82 74.065 2.342 0.992 0.578 0.951 0.654 CB 1.721 82 residues pruned to eliminate duplicates Z: 60 61.709 2.360 0.946 0.650 0.898 0.695 CB 1.693 60 residues pruned to eliminate duplicates Z: 40 72.385 2.503 1.039 0.792 0.949 0.846 CB 1.853 40 residues pruned to eliminate duplicates Z: 75 68.100 2.331 0.980 0.635 0.932 0.703 CB 1.621 81 residues pruned to eliminate duplicates Z: 49 70.270 2.494 1.072 0.683 0.896 0.729 CB 1.852 49 residues pruned to eliminate duplicates Z: 51 72.271 2.396 1.095 0.666 0.940 0.680 CB 1.858 51 residues pruned to eliminate duplicates Z: 72 72.460 2.398 1.007 0.611 0.915 0.718 CB 1.757 72 residues pruned to eliminate duplicates Z: 45 59.700 2.415 1.101 0.648 0.886 0.659 CB 1.743 45 residues pruned to eliminate duplicates Z: 55 63.668 2.358 1.007 0.690 0.926 0.685 CB 1.662 55 residues pruned to eliminate duplicates Z: 65 70.620 2.354 1.047 0.600 0.938 0.625 CB 1.777 65 residues pruned to eliminate duplicates Z: 68 64.580 2.312 0.977 0.600 0.925 0.687 CB 1.696 68 residues pruned to eliminate duplicates Z: 73 72.217 2.383 1.022 0.585 0.944 0.667 CB 1.724 73 residues pruned to eliminate duplicates Z: 68 61.627 2.331 1.048 0.570 0.896 0.672 CB 1.646 68 residues pruned to eliminate duplicates Z: 81 71.889 2.367 1.039 0.589 0.938 0.663 CB 1.631 81 residues pruned to eliminate duplicates Z: 53 66.668 2.345 1.090 0.716 0.942 0.750 CB 1.646 53 residues pruned to eliminate duplicates Z: 45 66.560 2.436 1.099 0.707 0.909 0.750 CB 1.788 45 residues pruned to eliminate duplicates Z: 77 68.147 2.291 1.060 0.619 0.921 0.645 CB 1.607 77 residues pruned to eliminate duplicates Z: 28 46.817 2.314 1.067 0.637 0.963 0.741 CB 1.720 28 residues pruned to eliminate duplicates Z: 89 64.464 2.317 0.963 0.582 0.886 0.705 CB 1.576 89 residues pruned to eliminate duplicates Z: 122 97.388 2.396 1.104 0.599 0.942 0.645 CB 1.696 122 residues pruned to eliminate duplicates Z: 6 9.399 2.007 0.801 0.296 1.000 0.800 CB 1.460 6 residues pruned to eliminate duplicates Z: 45 68.292 2.442 1.072 0.695 0.955 0.705 CB 1.784 45 residues pruned to eliminate duplicates Z: 63 64.606 2.319 0.948 0.653 0.952 0.710 CB 1.656 63 residues pruned to eliminate duplicates Z: 66 68.128 2.367 1.024 0.646 0.892 0.677 CB 1.724 66 residues pruned to eliminate duplicates Z: 72 74.173 2.395 1.034 0.603 0.944 0.718 CB 1.736 72 residues pruned to eliminate duplicates Z: 73 67.278 2.382 1.013 0.584 0.889 0.708 CB 1.716 73 residues pruned to eliminate duplicates Z: 22 29.201 2.290 1.224 0.464 0.810 0.667 CB 1.604 22 residues pruned to eliminate duplicates Z: 93 63.524 2.341 1.017 0.510 0.859 0.630 CB 1.618 93 residues pruned to eliminate duplicates Z: 38 22.312 1.701 0.776 0.678 0.946 0.811 CB 1.089 38 residues pruned to eliminate duplicates Z: 34 21.141 1.710 0.764 0.647 0.939 0.727 CB 1.132 34 residues pruned to eliminate duplicates Z: 37 24.426 1.725 0.820 0.672 0.972 0.750 CB 1.138 37 residues pruned to eliminate duplicates Z: 33 20.476 1.697 0.751 0.659 0.969 0.594 CB 1.084 33 residues pruned to eliminate duplicates Z: 21 22.103 1.881 1.009 0.624 0.950 0.750 CB 1.226 21 residues pruned to eliminate duplicates Z: 14 6.595 1.490 0.317 0.454 1.000 0.769 CB 0.977 Z: 9 6.820 1.465 0.409 0.724 1.000 0.750 CB 0.955 10 residues pruned to eliminate duplicates Z: 14 6.321 1.402 0.172 0.861 1.000 0.923 CB 0.784 8 residues pruned to eliminate duplicates Z: 14 6.433 1.337 0.145 0.913 1.000 1.000 CB 0.825 14 residues pruned to eliminate duplicates Z: 17 7.086 1.453 0.245 0.767 0.938 0.812 CB 0.824 16 residues pruned to eliminate duplicates Z: 15 7.258 1.344 0.280 0.907 1.000 0.929 CB 0.802 15 residues pruned to eliminate duplicates Z: 8 4.815 1.317 0.181 0.870 1.000 1.000 C 0.854 8 residues pruned to eliminate duplicates Z: 21 9.275 1.472 0.322 0.734 1.000 0.900 CB 0.864 21 residues pruned to eliminate duplicates Z: 7 5.719 1.400 0.411 0.886 1.000 0.833 CB 0.853 7 residues pruned to eliminate duplicates Z: 16 7.964 1.425 0.412 0.823 1.000 0.733 CB 0.773 16 residues pruned to eliminate duplicates Z: 21 10.401 1.462 0.610 0.746 0.950 0.850 CB 0.835 21 residues pruned to eliminate duplicates Z: 13 8.828 1.392 0.721 0.931 1.000 0.917 CB 0.744 13 residues pruned to eliminate duplicates Z: 22 10.785 1.455 0.502 0.729 1.000 0.762 CB 0.876 21 residues pruned to eliminate duplicates Z: 13 8.408 1.400 0.573 0.937 1.000 1.000 CB 0.767 13 residues pruned to eliminate duplicates Z: 21 10.744 1.470 0.538 0.748 1.000 0.850 CB 0.851 21 residues pruned to eliminate duplicates Z: 18 24.527 2.208 0.937 0.482 0.882 0.647 CB 1.604 18 residues pruned to eliminate duplicates Z: 53 61.833 2.336 0.902 0.601 1.000 0.788 CB 1.753 53 residues pruned to eliminate duplicates Z: 53 60.259 2.328 0.904 0.590 1.000 0.731 CB 1.729 53 residues pruned to eliminate duplicates Z: 53 52.871 2.331 0.733 0.593 0.962 0.692 CB 1.726 53 residues pruned to eliminate duplicates Z: 53 57.561 2.325 0.810 0.614 0.981 0.769 CB 1.736 53 residues pruned to eliminate duplicates Z: 52 55.750 2.353 0.873 0.589 0.941 0.784 CB 1.728 52 residues pruned to eliminate duplicates Z: 51 57.371 2.370 0.826 0.626 0.940 0.700 CB 1.771 51 residues pruned to eliminate duplicates Z: 52 53.777 2.354 0.755 0.610 0.941 0.745 CB 1.745 52 residues pruned to eliminate duplicates Z: 52 57.335 2.349 0.817 0.596 0.980 0.745 CB 1.751 52 residues pruned to eliminate duplicates Z: 53 55.259 2.322 0.782 0.579 0.981 0.750 CB 1.750 53 residues pruned to eliminate duplicates Z: 54 54.283 2.289 0.777 0.591 0.981 0.736 CB 1.713 54 residues pruned to eliminate duplicates Z: 51 56.396 2.350 0.868 0.608 0.940 0.740 CB 1.744 51 residues pruned to eliminate duplicates Z: 53 56.314 2.334 0.784 0.597 0.981 0.769 CB 1.743 53 residues pruned to eliminate duplicates Z: 50 57.404 2.403 0.857 0.588 0.980 0.755 CB 1.725 50 residues pruned to eliminate duplicates Z: 53 60.716 2.342 0.879 0.617 0.981 0.712 CB 1.746 53 residues pruned to eliminate duplicates Z: 42 56.583 2.339 0.887 0.621 1.000 0.707 CB 1.786 42 residues pruned to eliminate duplicates Z: 51 59.021 2.379 0.853 0.614 0.980 0.720 CB 1.734 51 residues pruned to eliminate duplicates Z: 18 29.500 2.215 0.550 0.820 0.941 0.824 C 1.678 18 residues pruned to eliminate duplicates Z: 41 60.826 2.378 0.892 0.661 1.000 0.750 CB 1.842 41 residues pruned to eliminate duplicates Z: 100 83.192 2.340 0.948 0.590 0.939 0.657 CB 1.791 100 residues pruned to eliminate duplicates Z: 53 55.606 2.319 0.750 0.621 0.981 0.827 CB 1.729 53 residues pruned to eliminate duplicates Z: 81 76.937 2.362 0.838 0.648 0.963 0.738 CB 1.793 40 residues pruned to eliminate duplicates Z: 15 47.375 2.350 1.146 0.872 1.000 0.786 CA 1.830 15 residues pruned to eliminate duplicates Z: 41 54.716 2.336 0.949 0.639 1.000 0.775 CB 1.669 41 residues pruned to eliminate duplicates Z: 45 53.262 2.274 1.024 0.573 0.955 0.727 CB 1.703 45 residues pruned to eliminate duplicates Z: 41 61.588 2.387 0.969 0.644 0.975 0.700 CB 1.857 41 residues pruned to eliminate duplicates Z: 40 58.718 2.390 0.968 0.612 0.949 0.667 CB 1.895 40 residues pruned to eliminate duplicates Z: 42 60.183 2.350 1.012 0.650 0.951 0.707 CB 1.818 42 residues pruned to eliminate duplicates Z: 42 53.542 2.327 0.946 0.639 0.927 0.732 CB 1.749 42 residues pruned to eliminate duplicates Z: 53 57.877 2.335 0.861 0.579 0.981 0.750 CB 1.746 53 residues pruned to eliminate duplicates Z: 53 55.891 2.308 0.926 0.574 0.962 0.654 CB 1.688 53 residues pruned to eliminate duplicates Z: 52 53.388 2.293 0.918 0.591 0.922 0.765 CB 1.691 52 residues pruned to eliminate duplicates Z: 37 55.359 2.319 0.924 0.692 0.972 0.778 CB 1.785 37 residues pruned to eliminate duplicates Z: 49 53.339 2.198 0.981 0.608 0.938 0.750 CB 1.702 49 residues pruned to eliminate duplicates Z: 40 65.334 2.441 1.023 0.667 1.000 0.718 CB 1.816 40 residues pruned to eliminate duplicates Z: 35 56.546 2.398 0.947 0.690 0.971 0.735 CB 1.799 35 residues pruned to eliminate duplicates Z: 39 58.981 2.441 0.879 0.652 0.974 0.763 CB 1.860 39 residues pruned to eliminate duplicates Z: 53 53.904 2.314 0.783 0.582 0.962 0.846 CB 1.741 53 residues pruned to eliminate duplicates Z: 53 52.055 2.266 0.837 0.581 0.942 0.712 CB 1.703 53 residues pruned to eliminate duplicates Z: 42 52.825 2.310 0.871 0.657 0.951 0.732 CB 1.734 42 residues pruned to eliminate duplicates Z: 99 83.046 2.330 1.016 0.622 0.939 0.724 CB 1.695 99 residues pruned to eliminate duplicates Z: 43 60.317 2.296 0.941 0.710 1.000 0.857 CB 1.727 43 residues pruned to eliminate duplicates Z: 41 58.271 2.360 0.992 0.628 0.975 0.675 CB 1.781 41 residues pruned to eliminate duplicates Z: 50 65.931 2.401 0.948 0.631 0.980 0.796 CB 1.817 50 residues pruned to eliminate duplicates Z: 42 63.300 2.375 0.923 0.688 1.000 0.829 CB 1.822 42 residues pruned to eliminate duplicates Z: 53 60.786 2.320 0.885 0.633 0.981 0.788 CB 1.734 53 residues pruned to eliminate duplicates Z: 43 59.647 2.305 1.009 0.648 0.976 0.833 CB 1.773 43 residues pruned to eliminate duplicates Z: 52 62.625 2.347 0.919 0.637 0.961 0.804 CB 1.782 52 residues pruned to eliminate duplicates Z: 41 60.166 2.361 0.972 0.688 0.925 0.825 CB 1.859 41 residues pruned to eliminate duplicates Z: 37 62.383 2.417 0.932 0.686 1.000 0.722 CB 1.876 36 residues pruned to eliminate duplicates Z: 11 32.850 2.206 0.942 0.932 1.000 1.000 CA 1.694 11 residues pruned to eliminate duplicates Z: 38 64.195 2.372 1.142 0.665 0.973 0.676 CB 1.832 38 residues pruned to eliminate duplicates Z: 32 58.407 2.379 1.094 0.717 0.935 0.645 CB 1.851 32 residues pruned to eliminate duplicates Z: 34 55.188 2.429 0.945 0.679 0.939 0.576 CB 1.836 34 residues pruned to eliminate duplicates Z: 35 61.117 2.370 0.999 0.708 1.000 0.647 CB 1.831 36 residues pruned to eliminate duplicates Z: 16 44.396 2.254 1.041 0.891 1.000 0.933 C 1.792 16 residues pruned to eliminate duplicates Z: 38 51.822 2.240 1.021 0.668 0.973 0.568 CB 1.656 38 residues pruned to eliminate duplicates Z: 41 59.240 2.295 1.169 0.648 0.950 0.625 CB 1.726 41 residues pruned to eliminate duplicates Z: 35 54.947 2.320 0.997 0.704 0.941 0.676 CB 1.795 35 residues pruned to eliminate duplicates Z: 37 62.807 2.427 1.034 0.684 0.972 0.556 CB 1.843 37 residues pruned to eliminate duplicates Z: 36 69.326 2.465 1.098 0.692 1.000 0.600 CB 1.901 36 residues pruned to eliminate duplicates Z: 36 69.071 2.460 1.168 0.683 0.971 0.686 CB 1.905 36 residues pruned to eliminate duplicates Z: 37 63.978 2.424 1.118 0.653 0.972 0.500 CB 1.853 37 residues pruned to eliminate duplicates Z: 8 10.937 2.078 0.962 0.558 0.714 0.143 CA 1.341 8 residues pruned to eliminate duplicates Z: 37 65.939 2.426 1.140 0.667 0.972 0.667 CB 1.867 37 residues pruned to eliminate duplicates Z: 8 19.954 2.217 0.783 0.687 1.000 0.286 CB 1.606 8 residues pruned to eliminate duplicates Z: 37 63.525 2.414 1.105 0.677 0.972 0.611 CB 1.822 37 residues pruned to eliminate duplicates Z: 34 64.988 2.420 1.119 0.707 0.970 0.667 CB 1.884 34 residues pruned to eliminate duplicates Z: 37 67.485 2.421 1.230 0.665 0.972 0.750 CB 1.840 37 residues pruned to eliminate duplicates Z: 32 55.243 2.351 1.078 0.694 0.935 0.581 CB 1.818 32 residues pruned to eliminate duplicates Z: 37 64.104 2.395 1.150 0.645 0.972 0.694 CB 1.864 37 residues pruned to eliminate duplicates Z: 37 66.089 2.396 1.119 0.692 0.972 0.750 CB 1.871 37 residues pruned to eliminate duplicates Z: 18 37.552 2.459 1.035 0.593 0.882 0.706 CB 1.887 18 residues pruned to eliminate duplicates Z: 36 69.054 2.459 1.127 0.663 1.000 0.686 CB 1.918 36 residues pruned to eliminate duplicates Z: 37 68.323 2.412 1.116 0.697 1.000 0.667 CB 1.865 37 residues pruned to eliminate duplicates Z: 38 67.515 2.394 1.221 0.685 0.973 0.784 CB 1.811 38 residues pruned to eliminate duplicates Z: 51 47.667 2.142 0.950 0.596 0.900 0.600 CB 1.636 51 residues pruned to eliminate duplicates Z: 54 62.721 2.342 1.096 0.666 0.906 0.679 CB 1.662 54 residues pruned to eliminate duplicates Z: 76 66.967 2.276 1.035 0.625 0.933 0.613 CB 1.590 76 residues pruned to eliminate duplicates Z: 53 71.536 2.401 1.198 0.704 0.923 0.692 CB 1.692 53 residues pruned to eliminate duplicates Z: 81 66.213 2.320 1.042 0.619 0.900 0.675 CB 1.553 81 residues pruned to eliminate duplicates Z: 53 72.512 2.376 1.138 0.719 0.962 0.788 CB 1.689 53 residues pruned to eliminate duplicates Z: 89 69.285 2.316 1.037 0.575 0.898 0.659 CB 1.622 89 residues pruned to eliminate duplicates Z: 17 19.144 2.019 0.826 0.617 0.875 0.750 CB 1.328 17 residues pruned to eliminate duplicates Z: 55 64.028 2.342 1.124 0.677 0.926 0.685 CB 1.607 55 residues pruned to eliminate duplicates Z: 14 18.131 2.140 1.035 0.404 0.769 0.538 CB 1.660 14 residues pruned to eliminate duplicates Z: 13 23.389 2.460 1.149 0.520 0.750 0.667 CB 1.670 13 residues pruned to eliminate duplicates Z: 9 20.453 2.252 0.846 0.626 0.875 0.750 CA 1.765 9 residues pruned to eliminate duplicates Z: 17 20.873 2.255 1.092 0.457 0.812 0.438 CB 1.423 17 residues pruned to eliminate duplicates Z: 11 24.889 2.449 1.366 0.492 0.800 0.600 CB 1.711 11 residues pruned to eliminate duplicates Z: 19 14.410 2.034 1.098 0.329 0.722 0.500 CB 1.330 19 residues pruned to eliminate duplicates Z: 33 34.294 2.299 0.970 0.432 0.906 0.656 CB 1.584 33 residues pruned to eliminate duplicates Z: 32 29.545 2.322 0.859 0.404 0.871 0.613 CB 1.561 32 residues pruned to eliminate duplicates Z: 71 63.271 2.314 1.099 0.540 0.900 0.614 CB 1.662 71 residues pruned to eliminate duplicates Z: 46 30.929 2.296 0.784 0.359 0.889 0.511 CB 1.474 46 residues pruned to eliminate duplicates Z: 86 68.345 2.354 0.975 0.566 0.941 0.659 CB 1.589 86 residues pruned to eliminate duplicates Z: 32 19.430 2.056 0.710 0.402 0.839 0.484 CB 1.312 32 residues pruned to eliminate duplicates Z: 62 63.107 2.369 1.117 0.523 0.967 0.574 CB 1.628 62 residues pruned to eliminate duplicates Z: 6 4.177 1.634 0.527 0.297 1.000 0.600 C 0.939 6 residues pruned to eliminate duplicates Z: 24 25.665 2.296 0.961 0.460 0.870 0.565 CB 1.424 24 residues pruned to eliminate duplicates Z: 13 14.226 2.117 0.667 0.395 0.833 0.500 CB 1.560 13 residues pruned to eliminate duplicates Z: 44 24.493 2.244 0.676 0.321 0.837 0.488 CB 1.445 44 residues pruned to eliminate duplicates Z: 29 19.919 2.127 0.678 0.417 0.821 0.536 CB 1.401 29 residues pruned to eliminate duplicates Z: 68 58.713 2.331 0.803 0.582 0.925 0.687 CB 1.704 68 residues pruned to eliminate duplicates Z: 14 9.997 2.095 0.598 0.212 0.923 0.462 CB 1.260 14 residues pruned to eliminate duplicates 335 residues left after pruning, divided into chains as follows: A: 5 B: 21 C: 309 CC for partial structure against native data = 45.37 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.473, Connect. = 0.762 for dens.mod. cycle 1 = 0.300, Contrast = 0.538, Connect. = 0.788 for dens.mod. cycle 2 = 0.300, Contrast = 0.641, Connect. = 0.816 for dens.mod. cycle 3 = 0.300, Contrast = 0.647, Connect. = 0.819 for dens.mod. cycle 4 = 0.300, Contrast = 0.655, Connect. = 0.821 for dens.mod. cycle 5 = 0.300, Contrast = 0.657, Connect. = 0.823 for dens.mod. cycle 6 = 0.300, Contrast = 0.660, Connect. = 0.825 for dens.mod. cycle 7 = 0.300, Contrast = 0.661, Connect. = 0.825 for dens.mod. cycle 8 = 0.300, Contrast = 0.662, Connect. = 0.826 for dens.mod. cycle 9 = 0.300, Contrast = 0.662, Connect. = 0.827 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2701 peaks > 0.5 sigma used to seed fragment search Space for about 411 unique residues taking solvent into account 541 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 28 65.315 2.391 1.076 0.933 0.963 0.778 CB 1.836 B: 25 65.629 2.486 0.905 0.940 1.000 0.958 C 1.965 C: 17 45.817 2.357 1.033 0.902 1.000 0.750 CB 1.705 17 residues pruned to eliminate duplicates D: 32 60.877 2.369 1.180 0.706 0.935 0.774 C 1.877 E: 27 61.536 2.344 1.030 0.908 1.000 0.769 CB 1.801 27 residues pruned to eliminate duplicates F: 10 33.328 2.365 1.394 0.588 0.889 0.667 C 2.029 G: 25 67.478 2.494 1.020 0.942 1.000 0.917 C 1.896 25 residues pruned to eliminate duplicates H: 26 59.662 2.434 0.787 0.947 1.000 0.920 CB 1.896 26 residues pruned to eliminate duplicates I: 28 66.021 2.402 0.983 0.933 1.000 0.852 CB 1.861 28 residues pruned to eliminate duplicates J: 27 66.034 2.456 0.960 0.943 1.000 0.923 CB 1.864 27 residues pruned to eliminate duplicates K: 26 68.896 2.502 0.930 0.947 1.000 0.920 CB 1.972 26 residues pruned to eliminate duplicates L: 25 64.241 2.479 0.924 0.946 1.000 0.875 C 1.901 25 residues pruned to eliminate duplicates M: 32 71.034 2.479 1.132 0.728 1.000 0.742 C 1.965 32 residues pruned to eliminate duplicates N: 25 73.137 2.500 1.086 0.954 1.000 0.875 C 1.969 25 residues pruned to eliminate duplicates O: 25 73.599 2.485 1.162 0.953 1.000 0.958 C 1.924 25 residues pruned to eliminate duplicates P: 28 66.415 2.412 0.940 0.934 1.000 0.926 CB 1.905 28 residues pruned to eliminate duplicates Q: 105 78.106 2.337 0.979 0.579 0.923 0.635 CB 1.663 25 residues pruned to eliminate duplicates R: 64 51.564 2.282 0.655 0.555 0.952 0.730 CB 1.712 27 residues pruned to eliminate duplicates S: 10 32.985 2.499 1.087 0.804 0.889 0.889 CB 1.819 T: 28 64.817 2.395 0.988 0.938 1.000 0.815 CB 1.822 28 residues pruned to eliminate duplicates U: 28 63.828 2.397 1.075 0.919 0.963 0.852 CB 1.808 28 residues pruned to eliminate duplicates V: 27 59.184 2.338 1.032 0.920 0.962 0.846 CB 1.788 27 residues pruned to eliminate duplicates W: 10 33.299 2.399 0.879 0.778 1.000 0.667 CA 1.926 10 residues pruned to eliminate duplicates X: 26 27.028 2.239 0.778 0.422 0.880 0.440 CB 1.673 26 residues pruned to eliminate duplicates Y: 25 75.595 2.505 1.142 0.939 1.000 0.917 C 1.999 25 residues pruned to eliminate duplicates Z: 11 18.167 2.522 0.793 0.373 0.800 0.400 CB 1.820 11 residues pruned to eliminate duplicates Z: 69 88.594 2.435 1.151 0.681 0.971 0.779 CB 1.790 69 residues pruned to eliminate duplicates Z: 25 71.687 2.494 1.051 0.926 1.000 0.875 CB 2.007 25 residues pruned to eliminate duplicates Z: 27 59.213 2.307 1.107 0.905 0.962 0.808 CB 1.769 27 residues pruned to eliminate duplicates Z: 13 17.717 1.994 0.289 0.808 1.000 0.750 CA 1.521 13 residues pruned to eliminate duplicates Z: 27 63.765 2.351 1.114 0.909 1.000 0.731 CB 1.786 27 residues pruned to eliminate duplicates Z: 14 31.992 2.376 0.351 0.928 1.000 1.000 CB 1.936 14 residues pruned to eliminate duplicates Z: 9 41.430 2.617 1.087 0.874 1.000 1.000 CA 1.952 10 residues pruned to eliminate duplicates Z: 25 65.230 2.452 0.930 0.944 1.000 0.917 CB 1.949 25 residues pruned to eliminate duplicates Z: 9 30.834 2.503 0.571 0.859 1.000 0.875 CA 2.040 9 residues pruned to eliminate duplicates Z: 9 32.079 2.533 0.662 0.896 1.000 0.875 CA 1.930 9 residues pruned to eliminate duplicates Z: 25 66.644 2.474 1.062 0.932 0.958 0.792 C 1.944 25 residues pruned to eliminate duplicates Z: 27 68.748 2.362 1.191 0.909 1.000 0.692 CB 1.849 27 residues pruned to eliminate duplicates Z: 70 82.740 2.386 1.119 0.655 0.971 0.696 CB 1.756 70 residues pruned to eliminate duplicates Z: 10 31.476 2.353 0.760 0.906 1.000 0.889 CB 1.803 10 residues pruned to eliminate duplicates Z: 79 68.640 2.388 0.952 0.584 0.910 0.667 CB 1.689 28 residues pruned to eliminate duplicates Z: 110 86.095 2.403 0.949 0.560 0.954 0.661 CB 1.742 114 residues pruned to eliminate duplicates Z: 106 90.763 2.395 0.897 0.593 0.981 0.714 CB 1.819 141 residues pruned to eliminate duplicates Z: 25 62.970 2.570 0.744 0.942 1.000 1.000 CB 1.988 25 residues pruned to eliminate duplicates Z: 10 31.864 2.305 0.746 0.911 1.000 0.778 CA 1.871 10 residues pruned to eliminate duplicates Z: 27 77.628 2.453 1.240 0.942 1.000 0.885 CB 1.921 27 residues pruned to eliminate duplicates Z: 14 40.842 2.410 0.785 0.930 1.000 0.923 CB 1.841 14 residues pruned to eliminate duplicates Z: 10 32.234 2.411 0.768 0.873 1.000 1.000 CA 1.836 9 residues pruned to eliminate duplicates Z: 16 34.059 2.177 0.619 0.894 1.000 0.800 CA 1.790 Z: 10 24.752 2.402 1.391 0.564 0.778 0.667 CB 1.736 Z: 15 27.328 2.215 0.246 0.936 1.000 1.000 C 1.842 15 residues pruned to eliminate duplicates Z: 27 73.712 2.461 1.045 0.952 1.000 0.808 CB 1.979 27 residues pruned to eliminate duplicates Z: 24 65.442 2.460 1.060 0.946 1.000 0.957 C 1.862 24 residues pruned to eliminate duplicates Z: 20 26.815 2.224 0.720 0.502 0.947 0.684 CB 1.694 20 residues pruned to eliminate duplicates Z: 25 66.954 2.446 1.131 0.931 1.000 0.792 C 1.832 25 residues pruned to eliminate duplicates Z: 16 41.913 2.412 0.812 0.867 1.000 0.933 CB 1.811 16 residues pruned to eliminate duplicates Z: 15 31.584 2.304 0.342 0.949 1.000 0.929 C 1.884 15 residues pruned to eliminate duplicates Z: 27 70.861 2.469 1.087 0.936 1.000 0.962 CB 1.879 27 residues pruned to eliminate duplicates Z: 37 68.459 2.414 1.178 0.670 1.000 0.667 CB 1.855 16 residues pruned to eliminate duplicates Z: 16 43.161 2.395 0.866 0.881 1.000 0.733 CB 1.806 16 residues pruned to eliminate duplicates Z: 7 23.005 2.361 0.447 0.891 1.000 1.000 CA 1.976 7 residues pruned to eliminate duplicates Z: 38 63.189 2.379 1.016 0.688 0.973 0.649 CB 1.874 38 residues pruned to eliminate duplicates Z: 42 54.109 2.379 0.825 0.657 0.927 0.732 CB 1.814 10 residues pruned to eliminate duplicates Z: 53 54.701 2.316 0.894 0.595 0.962 0.731 CB 1.643 44 residues pruned to eliminate duplicates Z: 16 26.237 2.165 0.353 0.903 0.933 0.867 C 1.767 16 residues pruned to eliminate duplicates Z: 28 62.999 2.405 0.980 0.931 0.963 0.926 CB 1.848 28 residues pruned to eliminate duplicates Z: 16 37.012 2.335 0.762 0.858 1.000 0.800 CB 1.709 16 residues pruned to eliminate duplicates Z: 28 60.115 2.386 0.857 0.937 1.000 0.815 CB 1.816 28 residues pruned to eliminate duplicates Z: 37 24.681 1.719 0.825 0.643 1.000 0.667 CB 1.147 38 residues pruned to eliminate duplicates Z: 32 61.931 2.393 1.172 0.712 0.935 0.742 CB 1.888 32 residues pruned to eliminate duplicates Z: 47 50.449 2.231 1.124 0.588 0.870 0.652 CB 1.659 55 residues pruned to eliminate duplicates Z: 27 71.754 2.476 1.070 0.946 1.000 0.885 CB 1.899 27 residues pruned to eliminate duplicates Z: 31 66.360 2.268 1.256 0.900 0.967 0.800 CB 1.749 31 residues pruned to eliminate duplicates Z: 124 97.589 2.442 0.902 0.629 0.935 0.732 CB 1.794 125 residues pruned to eliminate duplicates Z: 27 71.098 2.369 1.263 0.921 1.000 0.846 CB 1.830 27 residues pruned to eliminate duplicates Z: 16 36.145 2.386 0.542 0.886 1.000 0.933 CB 1.830 16 residues pruned to eliminate duplicates Z: 8 15.042 2.095 0.296 0.819 1.000 0.714 CA 1.589 8 residues pruned to eliminate duplicates Z: 18 28.833 2.160 0.509 0.844 0.941 0.765 CB 1.696 18 residues pruned to eliminate duplicates Z: 17 26.005 2.310 0.298 0.838 0.938 0.812 CB 1.728 17 residues pruned to eliminate duplicates Z: 79 66.885 2.413 0.991 0.547 0.897 0.615 CB 1.678 79 residues pruned to eliminate duplicates Z: 11 19.664 2.337 1.131 0.464 0.800 0.500 CB 1.618 11 residues pruned to eliminate duplicates Z: 16 38.997 2.243 0.707 0.925 1.000 0.933 CA 1.846 16 residues pruned to eliminate duplicates Z: 12 19.723 2.273 1.254 0.447 0.727 0.636 CB 1.686 12 residues pruned to eliminate duplicates Z: 17 30.866 2.230 0.723 0.807 0.875 0.812 C 1.757 17 residues pruned to eliminate duplicates Z: 14 29.572 2.426 0.352 0.900 1.000 0.923 CB 1.786 14 residues pruned to eliminate duplicates Z: 15 43.773 2.389 0.913 0.916 1.000 0.786 CB 1.808 15 residues pruned to eliminate duplicates Z: 27 65.186 2.338 1.056 0.933 1.000 0.808 C 1.856 27 residues pruned to eliminate duplicates Z: 11 17.084 2.284 1.183 0.531 0.700 0.700 CB 1.501 11 residues pruned to eliminate duplicates Z: 25 71.196 2.496 1.087 0.932 1.000 0.917 C 1.947 25 residues pruned to eliminate duplicates Z: 16 40.067 2.301 0.766 0.911 1.000 0.867 CB 1.805 16 residues pruned to eliminate duplicates Z: 17 32.104 2.300 0.472 0.855 1.000 0.938 CB 1.751 17 residues pruned to eliminate duplicates Z: 26 54.968 2.469 0.612 0.934 1.000 1.000 CB 1.926 26 residues pruned to eliminate duplicates Z: 61 55.883 2.327 0.658 0.590 0.967 0.733 CB 1.774 60 residues pruned to eliminate duplicates Z: 7 15.745 2.170 0.313 0.854 1.000 0.333 CA 1.666 7 residues pruned to eliminate duplicates Z: 26 68.961 2.439 1.189 0.942 0.960 0.760 C 1.867 26 residues pruned to eliminate duplicates Z: 11 22.742 2.417 1.168 0.485 0.800 0.800 CB 1.741 11 residues pruned to eliminate duplicates Z: 17 36.056 2.314 0.603 0.864 1.000 0.812 CB 1.781 17 residues pruned to eliminate duplicates Z: 27 62.155 2.449 0.897 0.928 1.000 1.000 CB 1.837 27 residues pruned to eliminate duplicates Z: 41 57.175 2.359 0.773 0.689 1.000 0.775 CB 1.818 41 residues pruned to eliminate duplicates Z: 15 34.730 2.269 0.558 0.941 1.000 0.857 C 1.823 15 residues pruned to eliminate duplicates Z: 17 32.638 2.186 0.538 0.879 1.000 0.812 CA 1.759 17 residues pruned to eliminate duplicates Z: 39 61.836 2.347 1.078 0.666 0.974 0.632 CB 1.811 39 residues pruned to eliminate duplicates Z: 111 96.664 2.412 0.978 0.640 0.955 0.736 CB 1.774 111 residues pruned to eliminate duplicates Z: 28 71.843 2.404 1.136 0.945 1.000 0.815 CB 1.863 28 residues pruned to eliminate duplicates Z: 26 73.183 2.435 1.333 0.946 0.960 0.800 C 1.857 26 residues pruned to eliminate duplicates Z: 28 63.154 2.386 1.001 0.931 1.000 0.815 CB 1.779 28 residues pruned to eliminate duplicates Z: 39 21.019 1.716 0.742 0.634 0.974 0.658 CB 1.034 37 residues pruned to eliminate duplicates Z: 26 68.035 2.486 1.017 0.944 1.000 0.720 CB 1.879 26 residues pruned to eliminate duplicates Z: 13 22.215 2.233 1.207 0.524 0.833 0.750 CB 1.525 13 residues pruned to eliminate duplicates Z: 16 43.755 2.394 0.828 0.892 1.000 0.867 CB 1.855 16 residues pruned to eliminate duplicates Z: 17 37.541 2.321 0.634 0.894 1.000 0.875 CB 1.775 17 residues pruned to eliminate duplicates Z: 16 17.136 2.097 0.878 0.476 0.867 0.733 CB 1.328 16 residues pruned to eliminate duplicates Z: 27 59.178 2.446 0.816 0.942 1.000 0.923 CB 1.812 27 residues pruned to eliminate duplicates Z: 10 29.373 2.344 0.730 0.867 1.000 0.889 CA 1.766 10 residues pruned to eliminate duplicates Z: 54 42.325 2.260 0.830 0.432 0.925 0.509 CB 1.632 56 residues pruned to eliminate duplicates Z: 53 53.065 2.301 0.855 0.595 0.942 0.788 CB 1.670 53 residues pruned to eliminate duplicates Z: 51 49.535 2.335 0.757 0.587 0.940 0.720 CB 1.671 51 residues pruned to eliminate duplicates Z: 42 55.459 2.375 0.732 0.680 0.976 0.829 CB 1.830 42 residues pruned to eliminate duplicates Z: 10 22.550 2.120 0.661 0.895 1.000 0.889 CB 1.530 10 residues pruned to eliminate duplicates Z: 27 66.856 2.459 0.931 0.939 1.000 0.923 CB 1.919 27 residues pruned to eliminate duplicates Z: 40 49.167 2.328 0.835 0.574 0.949 0.769 CB 1.808 39 residues pruned to eliminate duplicates Z: 74 69.333 2.343 1.082 0.633 0.890 0.712 CB 1.649 74 residues pruned to eliminate duplicates Z: 18 28.767 2.340 0.706 0.583 0.882 0.529 CB 1.828 18 residues pruned to eliminate duplicates Z: 21 31.573 2.390 0.810 0.458 0.900 0.400 CB 1.892 21 residues pruned to eliminate duplicates Z: 7 14.080 2.161 0.247 0.850 1.000 0.667 CA 1.580 7 residues pruned to eliminate duplicates Z: 16 28.226 2.400 0.341 0.852 0.933 0.933 CB 1.794 16 residues pruned to eliminate duplicates Z: 15 19.720 2.283 0.881 0.492 0.786 0.571 CB 1.574 15 residues pruned to eliminate duplicates Z: 14 20.536 2.207 1.260 0.519 0.769 0.615 CB 1.457 14 residues pruned to eliminate duplicates Z: 76 66.470 2.326 0.951 0.610 0.920 0.600 CB 1.657 76 residues pruned to eliminate duplicates Z: 18 25.707 2.325 0.772 0.531 0.882 0.706 CB 1.663 18 residues pruned to eliminate duplicates Z: 10 36.130 2.340 1.046 0.862 1.000 1.000 CA 1.847 10 residues pruned to eliminate duplicates Z: 27 64.030 2.419 0.993 0.935 0.962 0.808 CB 1.888 27 residues pruned to eliminate duplicates Z: 25 75.836 2.490 1.205 0.952 1.000 0.833 C 1.942 25 residues pruned to eliminate duplicates Z: 28 67.393 2.387 1.097 0.919 1.000 0.963 CB 1.825 28 residues pruned to eliminate duplicates Z: 16 39.413 2.390 0.679 0.877 1.000 0.800 CB 1.842 16 residues pruned to eliminate duplicates Z: 7 17.285 2.078 1.006 0.850 0.833 0.500 C 1.505 7 residues pruned to eliminate duplicates Z: 17 37.348 2.289 0.719 0.870 1.000 0.750 CA 1.732 17 residues pruned to eliminate duplicates Z: 75 65.427 2.359 0.930 0.579 0.919 0.689 CB 1.685 75 residues pruned to eliminate duplicates Z: 81 72.536 2.374 1.017 0.592 0.938 0.675 CB 1.653 81 residues pruned to eliminate duplicates Z: 27 72.937 2.474 1.071 0.940 1.000 0.923 CB 1.939 27 residues pruned to eliminate duplicates Z: 9 22.865 2.196 0.832 0.885 0.875 0.750 C 1.658 9 residues pruned to eliminate duplicates Z: 16 33.465 2.315 0.776 0.848 0.867 0.867 CB 1.799 16 residues pruned to eliminate duplicates Z: 16 31.838 2.306 0.413 0.911 1.000 0.867 CB 1.789 16 residues pruned to eliminate duplicates Z: 15 32.789 2.301 0.605 0.906 0.929 0.929 CA 1.817 15 residues pruned to eliminate duplicates Z: 13 27.524 2.157 0.642 0.882 0.917 0.667 CA 1.772 13 residues pruned to eliminate duplicates Z: 21 14.623 2.106 0.689 0.347 0.800 0.450 CB 1.356 21 residues pruned to eliminate duplicates Z: 58 57.030 2.259 0.925 0.597 0.965 0.719 CB 1.641 110 residues pruned to eliminate duplicates Z: 15 35.921 2.246 0.705 0.905 1.000 0.786 C 1.785 15 residues pruned to eliminate duplicates Z: 24 68.277 2.468 1.077 0.945 1.000 0.957 C 1.923 24 residues pruned to eliminate duplicates Z: 10 27.609 2.538 1.232 0.561 0.778 0.667 CB 1.968 10 residues pruned to eliminate duplicates Z: 100 88.303 2.406 1.073 0.575 0.919 0.636 CB 1.802 100 residues pruned to eliminate duplicates Z: 43 57.873 2.302 1.035 0.675 0.929 0.738 CB 1.747 Z: 27 76.473 2.456 1.218 0.955 1.000 0.885 CB 1.892 27 residues pruned to eliminate duplicates Z: 26 64.057 2.489 0.885 0.947 1.000 0.960 CB 1.888 26 residues pruned to eliminate duplicates Z: 112 90.957 2.407 0.952 0.618 0.928 0.712 CB 1.771 112 residues pruned to eliminate duplicates Z: 87 63.314 2.334 0.926 0.563 0.895 0.570 CB 1.595 87 residues pruned to eliminate duplicates Z: 13 15.003 2.123 1.051 0.422 0.750 0.500 CB 1.438 13 residues pruned to eliminate duplicates Z: 15 38.077 2.279 0.744 0.939 1.000 1.000 C 1.779 15 residues pruned to eliminate duplicates Z: 15 41.565 2.249 0.998 0.944 1.000 0.714 C 1.712 15 residues pruned to eliminate duplicates Z: 14 38.350 2.368 0.625 0.937 1.000 0.923 CB 1.923 14 residues pruned to eliminate duplicates Z: 76 69.187 2.365 0.881 0.570 0.973 0.733 CB 1.725 77 residues pruned to eliminate duplicates Z: 47 64.357 2.412 1.112 0.641 0.913 0.696 CB 1.788 47 residues pruned to eliminate duplicates Z: 46 74.223 2.465 1.063 0.716 0.956 0.778 CB 1.872 46 residues pruned to eliminate duplicates Z: 48 26.789 1.852 0.719 0.577 0.936 0.617 CB 1.218 48 residues pruned to eliminate duplicates Z: 8 16.125 2.080 0.312 0.842 1.000 0.571 CA 1.664 8 residues pruned to eliminate duplicates Z: 16 39.018 2.207 0.781 0.932 1.000 0.933 C 1.791 16 residues pruned to eliminate duplicates Z: 50 52.579 2.351 0.778 0.620 0.959 0.776 CB 1.672 50 residues pruned to eliminate duplicates Z: 12 6.107 1.618 0.805 0.237 0.727 0.455 CB 1.176 12 residues pruned to eliminate duplicates Z: 15 32.760 2.278 0.684 0.880 0.929 0.857 C 1.781 15 residues pruned to eliminate duplicates Z: 16 44.240 2.331 0.950 0.897 1.000 0.800 C 1.799 16 residues pruned to eliminate duplicates Z: 105 87.026 2.423 0.969 0.579 0.962 0.683 CB 1.725 105 residues pruned to eliminate duplicates Z: 14 42.174 2.405 0.726 0.951 1.000 1.000 C 1.942 14 residues pruned to eliminate duplicates Z: 44 63.922 2.305 1.064 0.760 0.930 0.814 CB 1.749 44 residues pruned to eliminate duplicates Z: 80 77.075 2.400 1.035 0.587 0.924 0.671 CB 1.768 80 residues pruned to eliminate duplicates Z: 124 106.195 2.445 0.991 0.636 0.959 0.756 CB 1.805 124 residues pruned to eliminate duplicates Z: 71 82.243 2.367 1.082 0.672 0.971 0.743 CB 1.753 71 residues pruned to eliminate duplicates Z: 41 57.945 2.361 0.994 0.628 0.975 0.750 CB 1.769 41 residues pruned to eliminate duplicates Z: 41 60.741 2.357 1.139 0.651 0.925 0.650 CB 1.789 41 residues pruned to eliminate duplicates Z: 17 27.582 2.181 0.310 0.921 1.000 0.875 CB 1.699 17 residues pruned to eliminate duplicates Z: 160 96.230 2.358 0.887 0.581 0.931 0.629 CB 1.705 160 residues pruned to eliminate duplicates Z: 106 94.410 2.413 0.877 0.669 0.971 0.790 CB 1.792 106 residues pruned to eliminate duplicates Z: 9 37.259 2.334 1.243 0.873 1.000 0.750 CA 1.832 9 residues pruned to eliminate duplicates Z: 121 95.673 2.408 0.904 0.607 0.950 0.650 CB 1.812 121 residues pruned to eliminate duplicates Z: 6 6.041 2.010 0.167 0.405 0.800 0.400 CB 1.592 6 residues pruned to eliminate duplicates Z: 6 7.327 2.261 0.355 0.349 0.800 0.600 CA 1.574 6 residues pruned to eliminate duplicates Z: 10 28.915 2.402 0.511 0.917 1.000 1.000 C 1.873 10 residues pruned to eliminate duplicates Z: 25 78.991 2.500 1.350 0.949 1.000 0.875 C 1.894 25 residues pruned to eliminate duplicates Z: 93 89.182 2.379 0.991 0.638 0.946 0.674 CB 1.824 93 residues pruned to eliminate duplicates Z: 42 58.556 2.328 1.068 0.644 0.927 0.683 CB 1.792 42 residues pruned to eliminate duplicates Z: 41 49.555 2.385 0.660 0.651 0.925 0.775 CB 1.858 41 residues pruned to eliminate duplicates Z: 24 24.971 2.137 0.921 0.436 0.913 0.739 CB 1.484 24 residues pruned to eliminate duplicates Z: 15 43.267 2.283 0.962 0.935 1.000 0.857 C 1.799 15 residues pruned to eliminate duplicates Z: 17 22.910 2.197 0.226 0.872 0.938 0.938 CB 1.652 17 residues pruned to eliminate duplicates Z: 34 19.711 1.680 0.725 0.667 0.909 0.485 CB 1.116 34 residues pruned to eliminate duplicates Z: 11 13.561 1.914 0.727 0.582 0.900 0.700 CA 1.333 11 residues pruned to eliminate duplicates Z: 25 65.684 2.490 0.952 0.935 1.000 0.833 C 1.922 25 residues pruned to eliminate duplicates Z: 91 83.489 2.387 0.998 0.640 0.933 0.722 CB 1.734 91 residues pruned to eliminate duplicates Z: 38 54.515 2.391 0.787 0.677 0.973 0.757 CB 1.831 38 residues pruned to eliminate duplicates Z: 56 58.891 2.355 0.940 0.601 0.909 0.655 CB 1.737 56 residues pruned to eliminate duplicates Z: 81 56.822 2.339 0.856 0.554 0.863 0.625 CB 1.608 81 residues pruned to eliminate duplicates Z: 28 71.929 2.393 1.172 0.941 1.000 0.889 CB 1.848 28 residues pruned to eliminate duplicates Z: 16 25.845 2.393 0.204 0.868 1.000 0.867 CB 1.693 16 residues pruned to eliminate duplicates Z: 43 57.043 2.324 0.981 0.624 0.976 0.833 CB 1.741 43 residues pruned to eliminate duplicates Z: 41 52.611 2.370 0.726 0.674 0.975 0.750 CB 1.776 41 residues pruned to eliminate duplicates Z: 25 70.084 2.488 1.148 0.925 1.000 0.917 C 1.879 25 residues pruned to eliminate duplicates Z: 8 9.505 1.941 0.626 0.721 0.714 0.714 CA 1.305 8 residues pruned to eliminate duplicates Z: 26 72.401 2.428 1.150 0.944 1.000 0.920 C 1.920 26 residues pruned to eliminate duplicates Z: 145 95.612 2.387 0.883 0.587 0.944 0.674 CB 1.728 145 residues pruned to eliminate duplicates Z: 18 24.321 2.075 0.277 0.827 1.000 0.882 CB 1.677 18 residues pruned to eliminate duplicates Z: 106 88.321 2.385 0.890 0.647 0.962 0.743 CB 1.733 106 residues pruned to eliminate duplicates Z: 167 111.736 2.418 0.900 0.628 0.940 0.735 CB 1.781 167 residues pruned to eliminate duplicates Z: 16 26.897 2.282 0.268 0.908 1.000 1.000 CB 1.704 16 residues pruned to eliminate duplicates Z: 16 33.218 2.262 0.588 0.868 1.000 0.800 CB 1.746 16 residues pruned to eliminate duplicates Z: 120 85.247 2.335 1.029 0.589 0.899 0.597 CB 1.686 120 residues pruned to eliminate duplicates Z: 6 9.498 1.832 0.609 0.649 0.800 0.600 C 1.567 6 residues pruned to eliminate duplicates Z: 34 61.457 2.384 1.093 0.681 0.970 0.758 CB 1.871 34 residues pruned to eliminate duplicates Z: 59 58.968 2.346 0.774 0.618 0.948 0.776 CB 1.756 59 residues pruned to eliminate duplicates Z: 44 34.120 2.324 0.815 0.397 0.860 0.442 CB 1.598 44 residues pruned to eliminate duplicates Z: 38 53.694 2.389 0.885 0.674 0.919 0.676 CB 1.817 38 residues pruned to eliminate duplicates Z: 26 45.581 2.302 0.968 0.661 0.960 0.800 CB 1.805 26 residues pruned to eliminate duplicates Z: 9 13.498 2.193 0.909 0.398 0.875 0.625 CB 1.450 9 residues pruned to eliminate duplicates Z: 17 41.734 2.241 0.919 0.914 1.000 0.875 CB 1.716 17 residues pruned to eliminate duplicates Z: 40 53.471 2.384 0.673 0.688 0.974 0.795 CB 1.855 40 residues pruned to eliminate duplicates Z: 15 44.337 2.279 1.191 0.904 0.929 0.857 C 1.820 15 residues pruned to eliminate duplicates Z: 33 21.388 1.727 0.793 0.705 0.969 0.812 CB 1.046 33 residues pruned to eliminate duplicates Z: 61 68.163 2.366 1.050 0.610 0.933 0.683 CB 1.752 61 residues pruned to eliminate duplicates Z: 27 70.560 2.379 1.213 0.923 1.000 0.846 C 1.848 27 residues pruned to eliminate duplicates Z: 59 57.307 2.367 0.687 0.587 0.966 0.741 CB 1.796 59 residues pruned to eliminate duplicates Z: 17 27.226 2.272 0.363 0.838 1.000 0.812 CA 1.643 17 residues pruned to eliminate duplicates Z: 26 66.334 2.479 1.089 0.948 0.960 0.800 CB 1.843 26 residues pruned to eliminate duplicates Z: 10 32.792 2.417 0.813 0.865 1.000 0.667 CA 1.827 10 residues pruned to eliminate duplicates Z: 50 54.453 2.331 0.719 0.637 0.980 0.755 CB 1.743 50 residues pruned to eliminate duplicates Z: 40 46.928 2.256 0.787 0.628 0.949 0.795 CB 1.742 40 residues pruned to eliminate duplicates Z: 44 57.559 2.268 0.947 0.656 0.977 0.744 CB 1.761 44 residues pruned to eliminate duplicates Z: 25 79.630 2.492 1.412 0.945 1.000 0.833 C 1.871 25 residues pruned to eliminate duplicates Z: 42 50.410 2.330 0.754 0.657 0.976 0.805 CB 1.707 42 residues pruned to eliminate duplicates Z: 103 86.479 2.363 1.051 0.607 0.922 0.716 CB 1.731 103 residues pruned to eliminate duplicates Z: 27 72.272 2.361 1.318 0.928 1.000 0.769 CB 1.813 27 residues pruned to eliminate duplicates Z: 32 23.514 2.261 0.630 0.424 0.806 0.419 CB 1.538 32 residues pruned to eliminate duplicates Z: 26 64.811 2.469 0.973 0.932 1.000 0.800 CB 1.857 26 residues pruned to eliminate duplicates Z: 80 63.908 2.378 0.916 0.578 0.861 0.684 CB 1.701 80 residues pruned to eliminate duplicates Z: 48 59.881 2.406 0.721 0.665 0.957 0.766 CB 1.891 48 residues pruned to eliminate duplicates Z: 8 5.552 1.556 0.486 0.437 0.857 0.571 CB 1.129 8 residues pruned to eliminate duplicates Z: 18 35.425 2.177 0.731 0.854 1.000 0.941 CB 1.684 18 residues pruned to eliminate duplicates Z: 40 55.091 2.388 0.839 0.669 0.974 0.795 CB 1.763 40 residues pruned to eliminate duplicates Z: 14 31.793 2.395 0.363 0.940 1.000 0.923 CB 1.875 14 residues pruned to eliminate duplicates Z: 6 6.515 1.708 0.730 0.567 0.800 0.400 CB 1.156 6 residues pruned to eliminate duplicates Z: 6 11.205 2.095 0.297 0.650 1.000 0.600 CA 1.604 6 residues pruned to eliminate duplicates Z: 27 19.368 2.015 0.721 0.351 0.846 0.462 CB 1.520 27 residues pruned to eliminate duplicates Z: 58 71.548 2.348 1.102 0.676 0.947 0.719 CB 1.724 58 residues pruned to eliminate duplicates Z: 11 25.095 2.179 0.645 0.796 1.000 0.500 CA 1.708 11 residues pruned to eliminate duplicates Z: 8 17.869 2.203 0.628 0.697 1.000 0.286 CA 1.573 8 residues pruned to eliminate duplicates Z: 9 28.596 2.480 0.569 0.875 1.000 1.000 CB 1.890 9 residues pruned to eliminate duplicates Z: 19 17.396 1.869 0.784 0.569 0.889 0.778 CB 1.293 19 residues pruned to eliminate duplicates Z: 24 51.738 2.382 0.925 0.919 0.913 0.826 C 1.817 24 residues pruned to eliminate duplicates Z: 50 43.478 2.150 0.809 0.547 0.939 0.612 CB 1.625 50 residues pruned to eliminate duplicates Z: 42 63.931 2.341 0.995 0.678 0.976 0.756 CB 1.861 42 residues pruned to eliminate duplicates Z: 72 70.024 2.363 1.035 0.564 0.915 0.592 CB 1.774 72 residues pruned to eliminate duplicates Z: 8 14.613 1.878 0.676 0.853 1.000 0.857 CB 1.297 8 residues pruned to eliminate duplicates Z: 6 3.405 1.628 0.761 0.576 0.800 0.600 CB 0.617 6 residues pruned to eliminate duplicates Z: 11 12.672 2.060 0.847 0.478 0.800 0.600 CB 1.346 11 residues pruned to eliminate duplicates Z: 17 35.871 2.281 0.741 0.900 0.938 0.750 CB 1.721 17 residues pruned to eliminate duplicates Z: 40 61.714 2.296 1.133 0.669 0.974 0.744 CB 1.771 40 residues pruned to eliminate duplicates Z: 18 17.655 2.056 0.842 0.444 0.882 0.588 CB 1.358 18 residues pruned to eliminate duplicates Z: 131 93.648 2.393 0.853 0.616 0.946 0.723 CB 1.754 131 residues pruned to eliminate duplicates Z: 26 84.666 2.532 1.295 0.968 1.000 1.000 CB 1.986 26 residues pruned to eliminate duplicates Z: 25 64.832 2.437 1.104 0.913 1.000 0.750 C 1.826 25 residues pruned to eliminate duplicates Z: 10 10.394 1.756 0.592 0.558 0.889 0.556 CB 1.318 8 residues pruned to eliminate duplicates Z: 11 4.730 2.171 0.287 0.153 0.500 0.200 CB 1.639 11 residues pruned to eliminate duplicates Z: 25 70.814 2.407 1.333 0.926 1.000 0.875 C 1.805 25 residues pruned to eliminate duplicates Z: 8 12.801 1.988 0.333 0.866 0.857 0.571 CB 1.559 8 residues pruned to eliminate duplicates Z: 25 80.073 2.506 1.378 0.949 1.000 0.917 C 1.893 25 residues pruned to eliminate duplicates Z: 25 80.164 2.508 1.387 0.961 1.000 0.917 C 1.872 25 residues pruned to eliminate duplicates Z: 11 22.583 2.232 1.014 0.525 0.900 0.600 CB 1.723 11 residues pruned to eliminate duplicates Z: 89 73.133 2.375 0.874 0.596 0.920 0.693 CB 1.737 89 residues pruned to eliminate duplicates Z: 42 77.268 2.490 1.164 0.775 0.927 0.780 CB 1.895 42 residues pruned to eliminate duplicates Z: 34 15.495 1.515 0.681 0.653 0.939 0.727 CB 0.978 34 residues pruned to eliminate duplicates Z: 16 19.692 1.901 0.742 0.598 1.000 0.533 CB 1.398 16 residues pruned to eliminate duplicates Z: 25 37.518 2.213 0.912 0.621 0.917 0.750 C 1.761 25 residues pruned to eliminate duplicates Z: 87 89.743 2.447 1.035 0.614 0.953 0.721 CB 1.829 87 residues pruned to eliminate duplicates Z: 57 61.204 2.413 0.821 0.630 0.929 0.732 CB 1.773 57 residues pruned to eliminate duplicates Z: 17 35.907 2.205 0.712 0.949 1.000 0.938 CB 1.641 17 residues pruned to eliminate duplicates Z: 60 60.607 2.340 0.764 0.599 0.983 0.797 CB 1.770 60 residues pruned to eliminate duplicates Z: 14 38.349 2.265 0.925 0.851 1.000 0.769 C 1.806 14 residues pruned to eliminate duplicates Z: 34 26.940 2.202 0.585 0.427 0.879 0.515 CB 1.650 34 residues pruned to eliminate duplicates Z: 13 23.499 2.357 0.194 0.886 1.000 0.917 CB 1.739 13 residues pruned to eliminate duplicates Z: 7 4.298 1.840 1.027 0.376 0.500 0.333 CB 1.074 7 residues pruned to eliminate duplicates Z: 9 14.274 1.840 0.479 0.888 1.000 0.750 N 1.336 9 residues pruned to eliminate duplicates Z: 25 66.902 2.493 1.053 0.940 0.958 0.833 C 1.933 25 residues pruned to eliminate duplicates Z: 95 92.584 2.436 0.942 0.636 0.947 0.691 CB 1.876 95 residues pruned to eliminate duplicates Z: 27 48.736 2.385 0.555 0.928 0.962 0.731 CB 1.877 27 residues pruned to eliminate duplicates Z: 16 36.096 2.274 0.846 0.854 0.933 0.800 C 1.757 16 residues pruned to eliminate duplicates Z: 25 77.946 2.479 1.328 0.960 1.000 0.875 C 1.889 25 residues pruned to eliminate duplicates Z: 82 77.161 2.413 0.983 0.586 0.938 0.642 CB 1.759 82 residues pruned to eliminate duplicates Z: 16 34.883 2.188 0.544 0.934 1.000 0.933 CA 1.858 16 residues pruned to eliminate duplicates Z: 38 20.817 1.657 0.596 0.690 1.000 0.595 CB 1.088 38 residues pruned to eliminate duplicates Z: 14 28.084 2.184 1.234 0.516 0.923 0.769 CA 1.703 14 residues pruned to eliminate duplicates Z: 20 8.797 1.569 0.202 0.744 0.947 0.737 CB 0.908 Z: 43 48.185 2.277 0.780 0.657 0.929 0.762 CB 1.707 43 residues pruned to eliminate duplicates Z: 28 27.954 2.324 0.818 0.428 0.852 0.556 CB 1.612 28 residues pruned to eliminate duplicates Z: 16 26.605 2.298 0.213 0.911 1.000 0.867 CB 1.746 16 residues pruned to eliminate duplicates Z: 34 61.197 2.400 1.083 0.681 0.970 0.667 CB 1.861 35 residues pruned to eliminate duplicates Z: 22 8.924 1.510 0.256 0.689 0.952 0.714 CB 0.907 22 residues pruned to eliminate duplicates Z: 52 75.267 2.441 1.116 0.666 0.941 0.627 CB 1.859 52 residues pruned to eliminate duplicates Z: 94 68.270 2.302 0.726 0.604 0.957 0.763 CB 1.687 94 residues pruned to eliminate duplicates Z: 53 48.631 2.263 0.917 0.573 0.885 0.558 CB 1.638 53 residues pruned to eliminate duplicates Z: 10 26.889 2.160 0.943 0.648 1.000 0.778 C 1.861 10 residues pruned to eliminate duplicates Z: 80 62.303 2.381 0.890 0.538 0.899 0.582 CB 1.669 80 residues pruned to eliminate duplicates Z: 21 8.729 1.512 0.240 0.706 0.950 0.700 CB 0.909 21 residues pruned to eliminate duplicates Z: 13 24.985 2.183 1.270 0.593 0.833 0.750 CA 1.598 13 residues pruned to eliminate duplicates Z: 107 96.906 2.388 0.953 0.665 0.981 0.755 CB 1.766 107 residues pruned to eliminate duplicates Z: 44 48.306 2.298 0.704 0.642 0.953 0.744 CB 1.727 44 residues pruned to eliminate duplicates Z: 20 22.775 2.101 0.843 0.556 0.947 0.737 CB 1.348 20 residues pruned to eliminate duplicates Z: 12 20.890 1.891 0.770 0.723 1.000 0.818 CB 1.538 12 residues pruned to eliminate duplicates Z: 7 6.222 2.186 0.245 0.574 0.667 0.167 CB 1.304 7 residues pruned to eliminate duplicates Z: 15 33.155 2.364 0.517 0.861 1.000 0.786 C 1.816 15 residues pruned to eliminate duplicates Z: 60 71.364 2.335 1.097 0.659 1.000 0.746 CB 1.637 60 residues pruned to eliminate duplicates Z: 13 11.677 2.154 0.690 0.368 0.750 0.500 CB 1.423 13 residues pruned to eliminate duplicates Z: 31 23.654 2.202 0.639 0.396 0.867 0.433 CB 1.541 31 residues pruned to eliminate duplicates Z: 14 16.277 2.106 0.782 0.462 0.923 0.615 CB 1.354 14 residues pruned to eliminate duplicates Z: 25 84.762 2.516 1.459 0.959 1.000 0.875 C 1.917 25 residues pruned to eliminate duplicates Z: 105 96.603 2.435 0.948 0.622 0.981 0.750 CB 1.815 105 residues pruned to eliminate duplicates Z: 106 93.188 2.397 0.886 0.679 0.971 0.800 CB 1.756 106 residues pruned to eliminate duplicates Z: 25 60.469 2.461 0.855 0.941 1.000 0.958 CB 1.877 25 residues pruned to eliminate duplicates Z: 67 60.205 2.392 0.870 0.597 0.879 0.697 CB 1.718 67 residues pruned to eliminate duplicates Z: 52 52.215 2.305 0.826 0.601 0.941 0.745 CB 1.677 52 residues pruned to eliminate duplicates Z: 110 96.647 2.434 0.964 0.630 0.963 0.743 CB 1.779 110 residues pruned to eliminate duplicates Z: 9 38.521 2.549 0.958 0.897 1.000 0.750 CB 1.954 9 residues pruned to eliminate duplicates Z: 34 19.932 1.690 0.863 0.694 0.909 0.697 CB 1.015 54 residues pruned to eliminate duplicates Z: 21 31.772 2.233 0.599 0.648 0.950 0.750 CB 1.825 21 residues pruned to eliminate duplicates Z: 42 29.985 2.214 0.935 0.349 0.805 0.415 CB 1.599 42 residues pruned to eliminate duplicates Z: 51 34.722 2.293 0.705 0.419 0.840 0.500 CB 1.627 51 residues pruned to eliminate duplicates Z: 28 75.793 2.385 1.263 0.950 1.000 0.889 C 1.865 28 residues pruned to eliminate duplicates Z: 82 72.075 2.365 0.957 0.560 0.938 0.630 CB 1.740 82 residues pruned to eliminate duplicates Z: 104 79.540 2.380 0.971 0.557 0.903 0.602 CB 1.751 104 residues pruned to eliminate duplicates Z: 11 23.271 2.122 1.161 0.605 1.000 0.900 C 1.452 11 residues pruned to eliminate duplicates Z: 80 61.063 2.382 0.841 0.554 0.899 0.671 CB 1.654 80 residues pruned to eliminate duplicates Z: 105 78.347 2.361 1.001 0.561 0.913 0.721 CB 1.678 105 residues pruned to eliminate duplicates Z: 6 3.486 1.817 -0.201 0.623 1.000 0.600 CB 0.956 6 residues pruned to eliminate duplicates Z: 16 31.668 2.371 0.392 0.880 1.000 0.933 CB 1.795 16 residues pruned to eliminate duplicates Z: 16 32.450 2.353 0.380 0.904 1.000 0.933 CB 1.837 16 residues pruned to eliminate duplicates Z: 71 81.418 2.382 1.082 0.672 0.957 0.771 CB 1.749 71 residues pruned to eliminate duplicates Z: 38 36.796 2.396 0.873 0.407 0.838 0.459 CB 1.774 38 residues pruned to eliminate duplicates Z: 58 64.443 2.366 0.988 0.622 0.912 0.667 CB 1.772 58 residues pruned to eliminate duplicates Z: 6 3.707 1.716 0.734 0.405 0.800 0.800 CB 0.769 Z: 37 70.034 2.410 1.207 0.676 0.972 0.639 CB 1.920 38 residues pruned to eliminate duplicates Z: 6 6.345 1.483 0.346 0.658 1.000 0.800 CA 1.228 6 residues pruned to eliminate duplicates Z: 27 75.504 2.367 1.371 0.944 1.000 0.846 C 1.827 27 residues pruned to eliminate duplicates Z: 17 30.899 2.217 0.687 0.810 0.938 0.750 CA 1.681 17 residues pruned to eliminate duplicates Z: 17 27.264 2.172 0.488 0.908 0.938 0.812 CB 1.597 17 residues pruned to eliminate duplicates Z: 60 57.350 2.351 0.664 0.609 0.966 0.746 CB 1.782 60 residues pruned to eliminate duplicates Z: 42 40.936 2.215 0.675 0.592 0.976 0.756 CB 1.618 48 residues pruned to eliminate duplicates Z: 17 27.887 2.182 0.305 0.923 1.000 0.938 CA 1.721 17 residues pruned to eliminate duplicates Z: 75 62.120 2.311 0.949 0.572 0.892 0.635 CB 1.677 75 residues pruned to eliminate duplicates Z: 15 34.301 2.368 0.583 0.849 1.000 0.786 CB 1.813 15 residues pruned to eliminate duplicates Z: 8 20.442 1.954 0.777 0.893 1.000 0.857 CA 1.597 8 residues pruned to eliminate duplicates Z: 38 19.511 1.650 0.628 0.680 0.973 0.703 CB 1.039 38 residues pruned to eliminate duplicates Z: 35 44.351 2.480 0.832 0.541 0.853 0.618 CB 1.886 35 residues pruned to eliminate duplicates Z: 11 21.140 2.169 1.001 0.598 0.900 0.700 CB 1.558 11 residues pruned to eliminate duplicates Z: 7 9.379 1.790 0.670 0.540 1.000 0.667 CB 1.231 Z: 115 99.601 2.441 0.974 0.627 0.939 0.754 CB 1.831 115 residues pruned to eliminate duplicates Z: 25 69.888 2.459 1.301 0.934 0.958 0.875 C 1.835 25 residues pruned to eliminate duplicates Z: 8 7.468 1.683 0.309 0.533 1.000 0.714 CB 1.240 8 residues pruned to eliminate duplicates Z: 11 6.129 1.670 0.793 0.527 0.800 0.600 CB 0.788 11 residues pruned to eliminate duplicates Z: 28 31.703 2.193 0.603 0.670 0.963 0.667 CB 1.541 28 residues pruned to eliminate duplicates Z: 32 45.026 2.505 0.921 0.535 0.839 0.581 CB 1.936 32 residues pruned to eliminate duplicates Z: 15 34.898 2.329 0.617 0.882 1.000 0.786 C 1.791 15 residues pruned to eliminate duplicates Z: 50 55.709 2.360 0.742 0.632 0.959 0.776 CB 1.782 50 residues pruned to eliminate duplicates Z: 6 2.010 1.364 0.518 0.368 0.600 0.600 CB 0.833 6 residues pruned to eliminate duplicates Z: 6 5.556 1.679 0.674 0.510 0.800 0.600 CA 1.094 6 residues pruned to eliminate duplicates Z: 14 23.104 2.075 0.793 0.705 0.923 0.769 C 1.549 14 residues pruned to eliminate duplicates Z: 27 67.949 2.390 1.223 0.932 0.962 0.769 CB 1.822 27 residues pruned to eliminate duplicates Z: 27 75.127 2.353 1.348 0.955 1.000 0.885 CB 1.834 27 residues pruned to eliminate duplicates Z: 10 4.843 1.718 0.438 0.327 0.778 0.667 CB 1.016 10 residues pruned to eliminate duplicates Z: 36 30.633 2.301 0.687 0.418 0.886 0.457 CB 1.640 36 residues pruned to eliminate duplicates Z: 46 28.406 2.231 0.700 0.391 0.822 0.444 CB 1.525 46 residues pruned to eliminate duplicates Z: 11 14.268 2.177 0.231 0.566 0.900 0.600 C 1.756 11 residues pruned to eliminate duplicates Z: 51 60.780 2.397 0.926 0.648 0.920 0.700 CB 1.763 51 residues pruned to eliminate duplicates Z: 25 73.701 2.481 1.202 0.953 1.000 0.875 C 1.894 25 residues pruned to eliminate duplicates Z: 37 54.052 2.339 0.734 0.742 1.000 0.833 CB 1.790 37 residues pruned to eliminate duplicates Z: 88 62.882 2.248 0.671 0.603 0.954 0.770 CB 1.705 88 residues pruned to eliminate duplicates Z: 72 71.805 2.338 1.049 0.641 0.930 0.690 CB 1.678 72 residues pruned to eliminate duplicates Z: 59 59.312 2.295 0.897 0.647 0.966 0.672 CB 1.615 59 residues pruned to eliminate duplicates Z: 55 72.270 2.413 1.075 0.657 0.926 0.685 CB 1.834 55 residues pruned to eliminate duplicates Z: 77 67.547 2.327 0.937 0.609 0.961 0.684 CB 1.614 77 residues pruned to eliminate duplicates Z: 64 47.363 2.219 0.778 0.545 0.905 0.635 CB 1.600 64 residues pruned to eliminate duplicates Z: 13 24.519 2.100 0.852 0.693 0.917 0.833 CB 1.665 13 residues pruned to eliminate duplicates Z: 34 43.395 2.233 0.777 0.612 0.970 0.727 CB 1.766 34 residues pruned to eliminate duplicates Z: 16 45.229 2.143 1.180 0.950 1.000 0.800 C 1.724 16 residues pruned to eliminate duplicates Z: 47 39.093 2.355 0.762 0.395 0.891 0.457 CB 1.742 47 residues pruned to eliminate duplicates Z: 21 24.401 2.205 0.784 0.464 0.900 0.450 C 1.599 21 residues pruned to eliminate duplicates Z: 129 101.877 2.424 0.943 0.609 0.969 0.727 CB 1.780 129 residues pruned to eliminate duplicates Z: 64 59.692 2.297 0.858 0.651 0.952 0.683 CB 1.608 64 residues pruned to eliminate duplicates Z: 14 8.575 1.492 0.294 0.933 1.000 1.000 CB 0.860 Z: 19 30.393 2.227 0.814 0.610 0.944 0.833 CA 1.692 19 residues pruned to eliminate duplicates Z: 23 19.201 2.167 0.575 0.429 0.864 0.545 CB 1.495 23 residues pruned to eliminate duplicates Z: 6 2.077 1.214 0.289 0.714 0.800 0.400 C 0.611 Z: 79 79.224 2.397 0.946 0.648 0.974 0.744 CB 1.719 79 residues pruned to eliminate duplicates Z: 11 23.261 2.225 0.623 0.864 0.900 0.900 C 1.660 11 residues pruned to eliminate duplicates Z: 17 40.172 2.093 1.014 0.937 1.000 0.750 C 1.658 17 residues pruned to eliminate duplicates Z: 40 39.311 2.372 0.757 0.512 0.949 0.744 CB 1.572 40 residues pruned to eliminate duplicates Z: 15 31.216 2.423 0.378 0.861 1.000 0.929 CB 1.836 15 residues pruned to eliminate duplicates Z: 28 35.434 2.168 0.945 0.573 0.963 0.741 CB 1.566 28 residues pruned to eliminate duplicates Z: 76 66.546 2.323 0.912 0.602 0.920 0.640 CB 1.706 76 residues pruned to eliminate duplicates Z: 12 26.637 2.238 0.918 0.667 1.000 0.909 CB 1.603 12 residues pruned to eliminate duplicates Z: 15 13.969 2.175 0.554 0.244 0.857 0.286 CB 1.732 15 residues pruned to eliminate duplicates Z: 40 63.905 2.394 0.974 0.681 0.974 0.769 CB 1.881 40 residues pruned to eliminate duplicates Z: 6 5.030 1.668 0.559 0.794 1.000 0.800 N 0.669 Z: 15 19.223 2.167 0.803 0.459 0.857 0.643 CA 1.599 15 residues pruned to eliminate duplicates Z: 35 39.973 2.377 0.734 0.587 0.912 0.559 CB 1.678 35 residues pruned to eliminate duplicates Z: 15 32.918 2.346 0.724 0.747 1.000 0.786 C 1.745 15 residues pruned to eliminate duplicates Z: 27 22.372 2.070 0.689 0.440 0.885 0.500 CB 1.508 27 residues pruned to eliminate duplicates Z: 25 36.692 2.365 0.687 0.660 0.917 0.750 CB 1.766 25 residues pruned to eliminate duplicates Z: 38 52.656 2.372 0.799 0.673 0.946 0.676 CB 1.828 38 residues pruned to eliminate duplicates Z: 13 5.713 1.871 0.568 0.261 0.583 0.333 CB 1.266 13 residues pruned to eliminate duplicates Z: 6 3.936 1.733 0.814 0.654 0.800 0.800 CB 0.607 Z: 40 58.521 2.317 0.909 0.666 1.000 0.744 CB 1.817 40 residues pruned to eliminate duplicates Z: 78 61.745 2.363 0.851 0.553 0.909 0.714 CB 1.681 78 residues pruned to eliminate duplicates Z: 22 23.560 1.956 0.992 0.688 0.952 0.762 CB 1.166 22 residues pruned to eliminate duplicates Z: 15 46.231 2.415 0.880 0.925 1.000 0.929 C 1.909 15 residues pruned to eliminate duplicates Z: 77 66.160 2.348 0.914 0.581 0.895 0.645 CB 1.745 77 residues pruned to eliminate duplicates Z: 8 5.304 1.729 0.474 0.328 0.714 0.429 CB 1.330 8 residues pruned to eliminate duplicates Z: 59 65.308 2.395 1.008 0.639 0.897 0.638 CB 1.746 59 residues pruned to eliminate duplicates Z: 34 49.158 2.362 0.794 0.658 0.939 0.727 CB 1.855 34 residues pruned to eliminate duplicates Z: 40 64.468 2.419 1.137 0.664 0.923 0.795 CB 1.858 40 residues pruned to eliminate duplicates Z: 16 7.961 1.787 0.538 0.425 0.800 0.400 CB 1.011 16 residues pruned to eliminate duplicates Z: 8 8.471 1.403 1.016 0.585 1.000 0.429 CB 1.043 8 residues pruned to eliminate duplicates Z: 106 93.520 2.383 0.888 0.663 0.981 0.781 CB 1.778 106 residues pruned to eliminate duplicates Z: 71 56.427 2.355 0.672 0.590 0.943 0.671 CB 1.666 71 residues pruned to eliminate duplicates Z: 28 18.956 1.976 0.624 0.432 0.926 0.704 CB 1.317 28 residues pruned to eliminate duplicates Z: 32 24.471 2.130 0.635 0.369 0.903 0.484 CB 1.608 32 residues pruned to eliminate duplicates Z: 38 68.529 2.310 1.222 0.690 1.000 0.784 CB 1.844 38 residues pruned to eliminate duplicates Z: 28 61.792 2.477 1.270 0.778 0.889 0.815 CB 1.861 28 residues pruned to eliminate duplicates Z: 58 55.138 2.313 0.646 0.618 0.965 0.719 CB 1.778 58 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 10 5.100 1.678 0.090 0.627 0.889 0.778 CB 0.928 Z: 14 6.790 1.477 0.171 0.837 1.000 0.846 CB 0.814 14 residues pruned to eliminate duplicates Z: 17 8.227 1.487 0.193 0.770 1.000 0.750 CB 0.913 15 residues pruned to eliminate duplicates Z: 13 7.422 1.391 0.219 0.911 1.000 1.000 CB 0.896 13 residues pruned to eliminate duplicates Z: 19 8.530 1.441 0.401 0.690 0.889 0.611 CB 0.942 18 residues pruned to eliminate duplicates Z: 14 9.832 1.480 0.473 0.918 1.000 0.846 CB 0.882 14 residues pruned to eliminate duplicates Z: 22 12.226 1.526 0.541 0.731 1.000 0.762 CB 0.922 17 residues pruned to eliminate duplicates Z: 14 9.287 1.492 0.437 0.926 1.000 0.846 CB 0.842 14 residues pruned to eliminate duplicates Z: 16 11.033 1.537 0.534 0.852 1.000 0.867 CB 0.893 16 residues pruned to eliminate duplicates Z: 22 11.148 1.505 0.462 0.731 0.952 0.762 CB 0.943 22 residues pruned to eliminate duplicates Z: 18 9.742 1.453 0.443 0.740 1.000 0.706 CB 0.909 18 residues pruned to eliminate duplicates Z: 16 9.567 1.435 0.486 0.812 1.000 0.800 CB 0.883 16 residues pruned to eliminate duplicates Z: 20 12.069 1.573 0.589 0.744 1.000 0.684 CB 0.890 20 residues pruned to eliminate duplicates Z: 17 8.509 1.483 0.283 0.758 1.000 0.625 CB 0.889 17 residues pruned to eliminate duplicates Z: 21 11.686 1.522 0.526 0.749 1.000 0.800 CB 0.900 21 residues pruned to eliminate duplicates Z: 38 58.721 2.419 0.888 0.693 0.946 0.730 CB 1.874 37 residues pruned to eliminate duplicates Z: 6 4.463 1.668 0.818 0.268 0.800 0.400 C 1.071 6 residues pruned to eliminate duplicates Z: 40 50.109 2.326 0.748 0.656 0.949 0.615 CB 1.800 40 residues pruned to eliminate duplicates Z: 38 65.430 2.419 1.051 0.681 0.973 0.676 CB 1.887 38 residues pruned to eliminate duplicates Z: 38 58.169 2.363 0.918 0.668 0.973 0.649 CB 1.857 38 residues pruned to eliminate duplicates Z: 39 62.888 2.360 1.042 0.661 0.974 0.632 CB 1.874 39 residues pruned to eliminate duplicates Z: 37 63.463 2.439 1.050 0.673 0.944 0.667 CB 1.909 37 residues pruned to eliminate duplicates Z: 38 64.545 2.413 1.066 0.669 0.973 0.649 CB 1.871 38 residues pruned to eliminate duplicates Z: 117 89.944 2.369 0.996 0.598 0.931 0.655 CB 1.728 112 residues pruned to eliminate duplicates Z: 15 38.660 2.233 0.843 0.934 1.000 0.786 C 1.751 15 residues pruned to eliminate duplicates Z: 37 61.697 2.446 0.967 0.668 0.972 0.667 CB 1.882 39 residues pruned to eliminate duplicates Z: 15 43.812 2.290 1.010 0.955 1.000 0.929 C 1.748 15 residues pruned to eliminate duplicates Z: 116 83.741 2.357 0.976 0.584 0.896 0.661 CB 1.728 116 residues pruned to eliminate duplicates Z: 39 63.978 2.382 1.068 0.694 0.974 0.684 CB 1.811 39 residues pruned to eliminate duplicates Z: 41 51.842 2.300 0.925 0.640 0.925 0.525 CB 1.756 41 residues pruned to eliminate duplicates Z: 38 61.950 2.399 1.076 0.646 0.946 0.595 CB 1.886 38 residues pruned to eliminate duplicates Z: 40 54.795 2.340 0.950 0.639 0.949 0.692 CB 1.779 40 residues pruned to eliminate duplicates Z: 37 68.323 2.447 1.161 0.667 0.972 0.639 CB 1.899 37 residues pruned to eliminate duplicates Z: 37 67.766 2.452 1.149 0.669 0.972 0.639 CB 1.886 37 residues pruned to eliminate duplicates Z: 39 69.565 2.372 1.174 0.681 1.000 0.684 CB 1.853 39 residues pruned to eliminate duplicates Z: 35 64.108 2.419 1.183 0.674 0.941 0.765 CB 1.884 35 residues pruned to eliminate duplicates Z: 39 62.328 2.329 1.194 0.640 0.974 0.711 CB 1.783 39 residues pruned to eliminate duplicates Z: 38 69.053 2.412 1.213 0.680 0.973 0.703 CB 1.853 38 residues pruned to eliminate duplicates Z: 38 68.996 2.396 1.199 0.697 0.973 0.784 CB 1.849 38 residues pruned to eliminate duplicates Z: 40 62.343 2.357 1.094 0.660 0.974 0.667 CB 1.789 40 residues pruned to eliminate duplicates Z: 38 68.379 2.401 1.214 0.680 0.973 0.757 CB 1.842 38 residues pruned to eliminate duplicates Z: 38 64.634 2.403 1.108 0.666 0.973 0.703 CB 1.849 38 residues pruned to eliminate duplicates Z: 39 63.144 2.340 1.160 0.676 0.974 0.684 CB 1.770 39 residues pruned to eliminate duplicates Z: 36 69.200 2.466 1.108 0.687 0.971 0.714 CB 1.952 36 residues pruned to eliminate duplicates Z: 41 52.863 2.290 1.020 0.649 0.925 0.625 CB 1.700 41 residues pruned to eliminate duplicates Z: 37 68.436 2.440 1.123 0.667 0.972 0.694 CB 1.940 37 residues pruned to eliminate duplicates Z: 118 88.124 2.388 0.938 0.606 0.923 0.675 CB 1.725 118 residues pruned to eliminate duplicates Z: 48 65.750 2.386 1.209 0.598 0.894 0.617 CB 1.854 48 residues pruned to eliminate duplicates Z: 7 8.631 1.714 0.953 0.374 1.000 0.667 CA 1.204 Z: 6 9.238 1.935 0.672 0.398 1.000 0.800 CA 1.422 13 residues pruned to eliminate duplicates Z: 81 66.143 2.392 0.926 0.569 0.900 0.688 CB 1.669 81 residues pruned to eliminate duplicates Z: 76 62.521 2.338 0.977 0.506 0.907 0.587 CB 1.713 76 residues pruned to eliminate duplicates Z: 20 25.183 2.234 1.237 0.435 0.789 0.579 CB 1.567 20 residues pruned to eliminate duplicates Z: 11 18.519 2.373 1.096 0.499 0.800 0.600 CB 1.473 11 residues pruned to eliminate duplicates Z: 80 69.154 2.416 0.924 0.580 0.924 0.671 CB 1.678 80 residues pruned to eliminate duplicates Z: 79 58.355 2.360 0.912 0.526 0.885 0.628 CB 1.613 79 residues pruned to eliminate duplicates Z: 42 27.375 2.272 0.821 0.334 0.829 0.512 CB 1.493 42 residues pruned to eliminate duplicates Z: 40 32.605 2.257 0.805 0.391 0.872 0.538 CB 1.650 40 residues pruned to eliminate duplicates Z: 81 73.002 2.399 1.006 0.562 0.925 0.663 CB 1.727 81 residues pruned to eliminate duplicates Z: 32 20.617 2.243 0.716 0.357 0.806 0.452 CB 1.392 32 residues pruned to eliminate duplicates Z: 30 22.736 2.186 0.854 0.375 0.828 0.448 CB 1.440 30 residues pruned to eliminate duplicates Z: 65 63.269 2.399 0.797 0.617 0.938 0.641 CB 1.752 65 residues pruned to eliminate duplicates Z: 16 12.330 2.043 0.699 0.256 0.733 0.467 CB 1.654 16 residues pruned to eliminate duplicates Z: 21 19.468 2.204 0.601 0.431 0.800 0.600 CB 1.657 21 residues pruned to eliminate duplicates Z: 65 59.522 2.390 0.851 0.581 0.906 0.703 CB 1.717 65 residues pruned to eliminate duplicates Z: 66 59.047 2.361 0.978 0.525 0.892 0.646 CB 1.714 66 residues pruned to eliminate duplicates Z: 28 17.684 2.100 0.514 0.316 0.889 0.370 CB 1.476 28 residues pruned to eliminate duplicates Z: 37 25.868 2.325 0.649 0.396 0.806 0.472 CB 1.557 37 residues pruned to eliminate duplicates Z: 20 23.071 2.199 0.771 0.471 0.895 0.684 CB 1.563 20 residues pruned to eliminate duplicates Z: 29 25.480 2.113 0.878 0.371 0.893 0.536 CB 1.561 29 residues pruned to eliminate duplicates Z: 74 63.199 2.326 0.835 0.617 0.945 0.699 CB 1.642 74 residues pruned to eliminate duplicates Z: 24 29.729 2.311 0.889 0.533 0.826 0.652 CB 1.664 24 residues pruned to eliminate duplicates Z: 23 23.768 2.230 0.687 0.456 0.864 0.545 CB 1.631 23 residues pruned to eliminate duplicates Z: 65 63.444 2.393 0.812 0.637 0.922 0.672 CB 1.745 65 residues pruned to eliminate duplicates Z: 32 23.193 2.188 0.767 0.443 0.871 0.419 CB 1.312 32 residues pruned to eliminate duplicates Z: 80 65.953 2.404 0.949 0.572 0.886 0.633 CB 1.668 80 residues pruned to eliminate duplicates Z: 14 5.193 1.747 0.455 0.134 0.846 0.000 CB 1.056 14 residues pruned to eliminate duplicates Z: 72 68.600 2.361 0.920 0.637 0.944 0.704 CB 1.674 72 residues pruned to eliminate duplicates Z: 73 72.523 2.393 0.998 0.598 0.958 0.611 CB 1.698 73 residues pruned to eliminate duplicates Z: 82 68.565 2.379 0.980 0.571 0.914 0.667 CB 1.654 82 residues pruned to eliminate duplicates Z: 54 60.345 2.332 0.912 0.707 0.962 0.755 CB 1.600 54 residues pruned to eliminate duplicates Z: 36 33.460 2.309 0.829 0.431 0.943 0.457 CB 1.526 36 residues pruned to eliminate duplicates Z: 12 11.958 2.309 0.418 0.307 0.909 0.273 CB 1.502 12 residues pruned to eliminate duplicates Z: 77 66.323 2.388 0.933 0.578 0.895 0.645 CB 1.710 77 residues pruned to eliminate duplicates Z: 73 68.689 2.381 0.980 0.600 0.917 0.681 CB 1.702 73 residues pruned to eliminate duplicates Z: 72 65.513 2.382 0.903 0.619 0.915 0.662 CB 1.674 72 residues pruned to eliminate duplicates Z: 63 60.252 2.328 0.817 0.651 0.935 0.710 CB 1.680 63 residues pruned to eliminate duplicates Z: 69 60.713 2.355 0.844 0.598 0.912 0.691 CB 1.693 69 residues pruned to eliminate duplicates Z: 70 64.591 2.360 0.890 0.632 0.899 0.667 CB 1.714 70 residues pruned to eliminate duplicates Z: 69 63.800 2.390 0.902 0.613 0.897 0.706 CB 1.705 69 residues pruned to eliminate duplicates Z: 48 61.861 2.407 0.954 0.682 0.936 0.660 CB 1.734 48 residues pruned to eliminate duplicates Z: 53 58.396 2.286 0.999 0.709 0.904 0.712 CB 1.622 53 residues pruned to eliminate duplicates Z: 71 62.445 2.364 0.935 0.590 0.886 0.643 CB 1.691 71 residues pruned to eliminate duplicates Z: 70 65.824 2.354 0.976 0.622 0.899 0.638 CB 1.689 70 residues pruned to eliminate duplicates Z: 75 62.173 2.358 0.987 0.613 0.851 0.608 CB 1.628 75 residues pruned to eliminate duplicates Z: 42 74.050 2.493 1.061 0.749 0.976 0.756 CB 1.848 42 residues pruned to eliminate duplicates Z: 71 63.974 2.366 0.949 0.588 0.857 0.643 CB 1.778 71 residues pruned to eliminate duplicates Z: 82 67.328 2.371 0.944 0.570 0.889 0.580 CB 1.707 82 residues pruned to eliminate duplicates Z: 55 64.820 2.322 1.098 0.691 0.926 0.722 CB 1.642 55 residues pruned to eliminate duplicates Z: 81 70.620 2.377 1.044 0.582 0.900 0.663 CB 1.668 81 residues pruned to eliminate duplicates Z: 66 71.007 2.366 1.075 0.625 0.923 0.677 CB 1.727 66 residues pruned to eliminate duplicates Z: 74 70.047 2.367 1.106 0.582 0.890 0.658 CB 1.706 74 residues pruned to eliminate duplicates Z: 45 71.748 2.407 1.097 0.738 0.955 0.795 CB 1.813 45 residues pruned to eliminate duplicates Z: 43 66.459 2.417 0.949 0.758 0.952 0.762 CB 1.817 43 residues pruned to eliminate duplicates Z: 52 67.365 2.426 1.055 0.661 0.902 0.667 CB 1.807 52 residues pruned to eliminate duplicates Z: 78 74.090 2.408 1.025 0.589 0.922 0.662 CB 1.723 78 residues pruned to eliminate duplicates Z: 44 58.393 2.381 1.072 0.662 0.884 0.605 CB 1.758 44 residues pruned to eliminate duplicates Z: 75 67.407 2.394 0.964 0.593 0.892 0.622 CB 1.709 75 residues pruned to eliminate duplicates Z: 67 69.327 2.387 0.997 0.622 0.924 0.667 CB 1.726 67 residues pruned to eliminate duplicates Z: 41 78.697 2.516 1.184 0.760 0.950 0.800 CB 1.892 41 residues pruned to eliminate duplicates Z: 53 62.987 2.345 1.080 0.692 0.923 0.731 CB 1.627 53 residues pruned to eliminate duplicates Z: 81 65.874 2.352 1.077 0.556 0.875 0.600 CB 1.632 81 residues pruned to eliminate duplicates Z: 80 65.579 2.371 0.911 0.573 0.886 0.570 CB 1.714 80 residues pruned to eliminate duplicates Z: 21 30.911 2.343 0.934 0.490 0.900 0.600 CB 1.712 21 residues pruned to eliminate duplicates Z: 41 78.476 2.456 1.238 0.788 0.950 0.800 CB 1.845 41 residues pruned to eliminate duplicates Z: 16 24.297 2.134 0.803 0.610 0.933 0.600 CB 1.575 16 residues pruned to eliminate duplicates Z: 41 72.230 2.502 1.069 0.774 0.925 0.825 CB 1.872 41 residues pruned to eliminate duplicates Z: 53 70.301 2.462 1.090 0.638 0.923 0.712 CB 1.803 53 residues pruned to eliminate duplicates Z: 65 73.740 2.409 1.013 0.641 0.938 0.672 CB 1.776 65 residues pruned to eliminate duplicates Z: 52 69.173 2.463 1.080 0.657 0.922 0.686 CB 1.773 52 residues pruned to eliminate duplicates Z: 53 69.993 2.440 1.116 0.627 0.923 0.654 CB 1.807 53 residues pruned to eliminate duplicates Z: 80 70.706 2.414 1.096 0.568 0.848 0.620 CB 1.735 80 residues pruned to eliminate duplicates Z: 79 69.206 2.345 1.063 0.573 0.885 0.654 CB 1.706 79 residues pruned to eliminate duplicates Z: 75 73.944 2.378 1.060 0.580 0.932 0.662 CB 1.743 75 residues pruned to eliminate duplicates Z: 72 72.190 2.405 1.002 0.587 0.915 0.690 CB 1.788 72 residues pruned to eliminate duplicates Z: 38 23.972 1.718 0.818 0.680 0.973 0.703 CB 1.099 38 residues pruned to eliminate duplicates Z: 38 21.283 1.711 0.676 0.633 0.973 0.757 CB 1.106 38 residues pruned to eliminate duplicates Z: 19 17.591 1.916 0.891 0.515 0.889 0.611 CB 1.269 19 residues pruned to eliminate duplicates Z: 34 22.845 1.702 0.721 0.683 0.970 0.606 CB 1.183 34 residues pruned to eliminate duplicates Z: 40 21.868 1.662 0.756 0.616 0.974 0.718 CB 1.104 40 residues pruned to eliminate duplicates Z: 28 26.104 2.090 0.918 0.566 0.889 0.630 CB 1.323 28 residues pruned to eliminate duplicates Z: 41 30.456 1.936 0.882 0.624 0.900 0.650 CB 1.307 41 residues pruned to eliminate duplicates Z: 48 25.910 1.830 0.769 0.593 0.915 0.617 CB 1.167 48 residues pruned to eliminate duplicates Z: 41 39.807 2.323 0.978 0.398 0.900 0.525 CB 1.695 41 residues pruned to eliminate duplicates Z: 45 29.492 1.826 0.909 0.584 0.932 0.636 CB 1.262 45 residues pruned to eliminate duplicates Z: 73 40.310 2.026 0.872 0.519 0.889 0.569 CB 1.382 73 residues pruned to eliminate duplicates Z: 42 35.463 2.289 0.953 0.390 0.829 0.512 CB 1.679 42 residues pruned to eliminate duplicates Z: 41 35.216 2.313 0.891 0.396 0.850 0.425 CB 1.672 41 residues pruned to eliminate duplicates Z: 143 75.477 2.213 0.924 0.536 0.908 0.669 CB 1.580 143 residues pruned to eliminate duplicates Z: 42 29.870 2.249 0.657 0.358 0.902 0.488 CB 1.616 42 residues pruned to eliminate duplicates Z: 36 23.352 2.245 0.660 0.339 0.771 0.400 CB 1.636 36 residues pruned to eliminate duplicates Z: 112 81.728 2.360 0.850 0.578 0.928 0.712 CB 1.776 112 residues pruned to eliminate duplicates Z: 41 34.330 2.307 0.827 0.390 0.850 0.475 CB 1.703 41 residues pruned to eliminate duplicates Z: 146 96.820 2.387 0.917 0.577 0.952 0.676 CB 1.714 146 residues pruned to eliminate duplicates Z: 36 25.820 2.107 0.873 0.390 0.886 0.457 CB 1.403 36 residues pruned to eliminate duplicates Z: 109 81.131 2.380 1.039 0.541 0.917 0.620 CB 1.685 109 residues pruned to eliminate duplicates Z: 27 29.095 2.255 0.841 0.382 0.885 0.385 CB 1.762 27 residues pruned to eliminate duplicates Z: 27 30.127 2.243 0.841 0.423 0.885 0.500 CB 1.753 27 residues pruned to eliminate duplicates Z: 191 100.430 2.345 0.849 0.559 0.937 0.695 CB 1.694 191 residues pruned to eliminate duplicates Z: 41 32.426 2.266 0.799 0.340 0.900 0.400 CB 1.664 41 residues pruned to eliminate duplicates Z: 110 77.636 2.363 0.985 0.529 0.917 0.624 CB 1.679 110 residues pruned to eliminate duplicates Z: 81 69.851 2.357 0.974 0.555 0.938 0.625 CB 1.698 81 residues pruned to eliminate duplicates Z: 146 96.990 2.409 0.903 0.583 0.924 0.690 CB 1.755 146 residues pruned to eliminate duplicates Z: 125 99.235 2.444 0.882 0.626 0.960 0.734 CB 1.792 125 residues pruned to eliminate duplicates Z: 104 74.888 2.346 0.984 0.556 0.903 0.621 CB 1.664 104 residues pruned to eliminate duplicates Z: 66 67.964 2.358 1.057 0.625 0.923 0.708 CB 1.674 66 residues pruned to eliminate duplicates Z: 27 29.515 2.260 0.931 0.400 0.846 0.538 CB 1.741 27 residues pruned to eliminate duplicates Z: 90 87.653 2.423 1.062 0.597 0.955 0.708 CB 1.776 90 residues pruned to eliminate duplicates Z: 96 83.799 2.396 1.017 0.582 0.958 0.663 CB 1.717 96 residues pruned to eliminate duplicates Z: 14 13.367 2.273 0.769 0.198 0.769 0.154 C 1.717 14 residues pruned to eliminate duplicates Z: 124 101.607 2.436 0.955 0.619 0.951 0.756 CB 1.807 124 residues pruned to eliminate duplicates Z: 38 34.721 2.351 0.825 0.429 0.892 0.432 CB 1.605 38 residues pruned to eliminate duplicates Z: 124 103.363 2.456 0.951 0.626 0.951 0.724 CB 1.816 124 residues pruned to eliminate duplicates Z: 21 15.514 2.100 0.468 0.307 0.850 0.350 CB 1.641 21 residues pruned to eliminate duplicates Z: 17 14.986 2.237 0.644 0.207 0.875 0.250 CB 1.646 17 residues pruned to eliminate duplicates Z: 22 28.891 2.297 0.986 0.417 0.905 0.333 CB 1.666 22 residues pruned to eliminate duplicates Z: 117 92.380 2.451 0.929 0.593 0.940 0.707 CB 1.767 117 residues pruned to eliminate duplicates Z: 20 31.601 2.487 1.152 0.471 0.737 0.474 CB 1.893 20 residues pruned to eliminate duplicates Z: 14 8.950 2.268 0.679 0.167 0.615 0.154 CB 1.589 14 residues pruned to eliminate duplicates Z: 13 11.685 2.430 0.650 0.145 0.833 0.083 CB 1.566 13 residues pruned to eliminate duplicates Z: 61 75.991 2.425 1.095 0.644 0.950 0.700 CB 1.778 61 residues pruned to eliminate duplicates Z: 124 90.832 2.407 0.891 0.608 0.919 0.732 CB 1.767 124 residues pruned to eliminate duplicates Z: 112 81.932 2.405 0.961 0.552 0.910 0.631 CB 1.723 112 residues pruned to eliminate duplicates Z: 64 66.362 2.334 1.015 0.636 0.952 0.730 CB 1.644 64 residues pruned to eliminate duplicates Z: 104 94.102 2.406 1.003 0.657 0.932 0.748 CB 1.784 104 residues pruned to eliminate duplicates Z: 106 94.676 2.412 0.899 0.665 0.971 0.790 CB 1.782 106 residues pruned to eliminate duplicates Z: 126 97.899 2.412 0.899 0.620 0.952 0.704 CB 1.793 126 residues pruned to eliminate duplicates Z: 144 102.868 2.401 0.954 0.592 0.951 0.664 CB 1.764 144 residues pruned to eliminate duplicates Z: 61 75.535 2.423 1.141 0.653 0.933 0.733 CB 1.748 61 residues pruned to eliminate duplicates Z: 109 94.281 2.383 0.979 0.645 0.944 0.722 CB 1.780 109 residues pruned to eliminate duplicates Z: 124 104.796 2.442 0.966 0.636 0.959 0.724 CB 1.807 124 residues pruned to eliminate duplicates Z: 72 72.546 2.358 1.062 0.633 0.915 0.746 CB 1.707 72 residues pruned to eliminate duplicates Z: 89 85.666 2.410 1.119 0.585 0.932 0.705 CB 1.769 89 residues pruned to eliminate duplicates Z: 61 77.307 2.403 1.077 0.639 0.933 0.667 CB 1.881 61 residues pruned to eliminate duplicates Z: 105 97.443 2.410 0.962 0.664 0.962 0.798 CB 1.806 105 residues pruned to eliminate duplicates Z: 125 106.171 2.424 0.954 0.628 0.984 0.726 CB 1.814 125 residues pruned to eliminate duplicates Z: 66 74.320 2.375 1.053 0.644 0.923 0.692 CB 1.790 66 residues pruned to eliminate duplicates Z: 124 101.976 2.441 0.962 0.616 0.951 0.675 CB 1.809 124 residues pruned to eliminate duplicates Z: 41 74.381 2.387 1.250 0.740 0.975 0.775 CB 1.811 41 residues pruned to eliminate duplicates Z: 124 100.341 2.441 0.941 0.622 0.943 0.707 CB 1.805 124 residues pruned to eliminate duplicates Z: 42 67.484 2.358 1.228 0.757 0.902 0.732 C 1.769 42 residues pruned to eliminate duplicates Z: 131 102.843 2.404 0.981 0.603 0.969 0.677 CB 1.771 131 residues pruned to eliminate duplicates Z: 113 91.031 2.356 0.973 0.614 0.964 0.705 CB 1.722 113 residues pruned to eliminate duplicates Z: 42 68.464 2.326 1.275 0.733 0.927 0.756 CB 1.768 42 residues pruned to eliminate duplicates Z: 149 93.602 2.348 0.915 0.575 0.919 0.662 CB 1.731 149 residues pruned to eliminate duplicates Z: 144 90.992 2.406 0.833 0.577 0.916 0.629 CB 1.748 144 residues pruned to eliminate duplicates Z: 124 102.359 2.442 0.964 0.629 0.951 0.772 CB 1.792 124 residues pruned to eliminate duplicates Z: 106 94.925 2.402 0.965 0.662 0.943 0.705 CB 1.791 106 residues pruned to eliminate duplicates Z: 124 103.465 2.453 0.973 0.623 0.943 0.707 CB 1.820 124 residues pruned to eliminate duplicates Z: 107 92.601 2.359 0.991 0.637 0.981 0.717 CB 1.717 107 residues pruned to eliminate duplicates Z: 124 103.583 2.430 1.019 0.638 0.927 0.707 CB 1.806 124 residues pruned to eliminate duplicates Z: 138 97.746 2.398 0.932 0.597 0.942 0.642 CB 1.744 138 residues pruned to eliminate duplicates Z: 75 81.825 2.460 1.102 0.622 0.932 0.689 CB 1.758 75 residues pruned to eliminate duplicates Z: 70 80.958 2.392 1.127 0.665 0.942 0.783 CB 1.746 70 residues pruned to eliminate duplicates Z: 78 80.334 2.419 1.095 0.597 0.935 0.636 CB 1.762 78 residues pruned to eliminate duplicates Z: 129 98.812 2.407 0.977 0.618 0.938 0.711 CB 1.751 129 residues pruned to eliminate duplicates Z: 124 106.217 2.456 0.979 0.639 0.951 0.715 CB 1.819 124 residues pruned to eliminate duplicates Z: 125 108.655 2.441 0.980 0.635 0.984 0.710 CB 1.807 125 residues pruned to eliminate duplicates Z: 113 91.573 2.384 0.906 0.648 0.955 0.688 CB 1.737 113 residues pruned to eliminate duplicates Z: 63 82.620 2.485 1.133 0.679 0.919 0.677 CB 1.827 63 residues pruned to eliminate duplicates Z: 129 99.707 2.406 0.947 0.617 0.953 0.703 CB 1.767 129 residues pruned to eliminate duplicates Z: 88 81.148 2.412 1.030 0.600 0.920 0.655 CB 1.757 88 residues pruned to eliminate duplicates Z: 105 99.987 2.437 0.956 0.673 0.971 0.769 CB 1.806 105 residues pruned to eliminate duplicates Z: 36 44.439 2.367 0.910 0.497 1.000 0.657 CB 1.666 36 residues pruned to eliminate duplicates Z: 146 99.349 2.388 0.947 0.588 0.938 0.655 CB 1.739 146 residues pruned to eliminate duplicates Z: 90 83.401 2.412 1.030 0.591 0.944 0.685 CB 1.753 90 residues pruned to eliminate duplicates Z: 95 79.203 2.368 1.006 0.587 0.936 0.723 CB 1.691 95 residues pruned to eliminate duplicates Z: 109 94.811 2.401 0.947 0.651 0.972 0.787 CB 1.744 109 residues pruned to eliminate duplicates Z: 73 70.250 2.396 0.826 0.610 0.986 0.694 CB 1.727 73 residues pruned to eliminate duplicates Z: 113 82.581 2.387 1.021 0.529 0.920 0.580 CB 1.710 113 residues pruned to eliminate duplicates Z: 124 100.959 2.437 0.979 0.629 0.935 0.724 CB 1.788 124 residues pruned to eliminate duplicates Z: 125 98.137 2.426 0.984 0.600 0.935 0.685 CB 1.779 125 residues pruned to eliminate duplicates Z: 79 68.315 2.365 0.834 0.591 0.962 0.692 CB 1.700 79 residues pruned to eliminate duplicates Z: 59 57.166 2.351 0.746 0.575 0.948 0.776 CB 1.793 59 residues pruned to eliminate duplicates Z: 73 68.787 2.387 0.800 0.593 0.986 0.736 CB 1.751 73 residues pruned to eliminate duplicates Z: 90 88.023 2.407 0.965 0.651 0.966 0.742 CB 1.773 90 residues pruned to eliminate duplicates Z: 108 98.185 2.400 0.956 0.659 0.963 0.757 CB 1.813 108 residues pruned to eliminate duplicates Z: 80 72.170 2.371 0.851 0.603 0.987 0.772 CB 1.699 80 residues pruned to eliminate duplicates Z: 70 72.629 2.441 0.889 0.621 0.957 0.812 CB 1.768 70 residues pruned to eliminate duplicates Z: 88 80.492 2.409 1.097 0.562 0.920 0.655 CB 1.749 88 residues pruned to eliminate duplicates Z: 123 100.097 2.435 0.967 0.623 0.934 0.730 CB 1.803 123 residues pruned to eliminate duplicates Z: 105 98.867 2.427 0.982 0.667 0.962 0.798 CB 1.797 105 residues pruned to eliminate duplicates Z: 70 81.335 2.386 1.136 0.638 0.971 0.681 CB 1.738 70 residues pruned to eliminate duplicates Z: 77 72.875 2.425 0.801 0.616 0.974 0.829 CB 1.761 77 residues pruned to eliminate duplicates Z: 125 98.420 2.433 0.890 0.617 0.960 0.685 CB 1.794 125 residues pruned to eliminate duplicates Z: 78 69.047 2.390 0.778 0.618 0.961 0.753 CB 1.723 78 residues pruned to eliminate duplicates Z: 72 59.940 2.375 0.621 0.589 0.986 0.803 CB 1.720 72 residues pruned to eliminate duplicates Z: 123 105.620 2.466 0.930 0.641 0.967 0.746 CB 1.820 123 residues pruned to eliminate duplicates Z: 42 50.380 2.334 0.666 0.668 1.000 0.780 CB 1.733 42 residues pruned to eliminate duplicates Z: 42 46.246 2.336 0.619 0.655 0.951 0.756 CB 1.737 42 residues pruned to eliminate duplicates Z: 43 54.019 2.351 0.704 0.650 1.000 0.714 CB 1.810 43 residues pruned to eliminate duplicates Z: 105 98.584 2.427 0.900 0.683 0.981 0.750 CB 1.807 105 residues pruned to eliminate duplicates Z: 44 49.670 2.331 0.570 0.648 0.977 0.744 CB 1.846 44 residues pruned to eliminate duplicates Z: 37 48.554 2.341 0.649 0.700 0.944 0.806 CB 1.850 37 residues pruned to eliminate duplicates Z: 97 84.124 2.384 0.914 0.639 0.906 0.708 CB 1.822 97 residues pruned to eliminate duplicates Z: 40 47.791 2.318 0.656 0.645 0.974 0.795 CB 1.786 40 residues pruned to eliminate duplicates Z: 49 46.654 2.263 0.640 0.633 0.938 0.688 CB 1.709 49 residues pruned to eliminate duplicates Z: 40 56.508 2.444 0.721 0.687 0.974 0.795 CB 1.861 40 residues pruned to eliminate duplicates Z: 41 52.560 2.379 0.661 0.666 1.000 0.750 CB 1.803 41 residues pruned to eliminate duplicates Z: 40 51.774 2.419 0.644 0.662 0.974 0.769 CB 1.841 40 residues pruned to eliminate duplicates Z: 78 70.937 2.394 0.795 0.604 1.000 0.779 CB 1.705 78 residues pruned to eliminate duplicates Z: 41 53.398 2.381 0.723 0.668 1.000 0.875 CB 1.762 41 residues pruned to eliminate duplicates Z: 56 59.133 2.401 0.806 0.594 1.000 0.800 CB 1.680 56 residues pruned to eliminate duplicates Z: 41 55.313 2.375 0.735 0.700 0.975 0.800 CB 1.814 41 residues pruned to eliminate duplicates Z: 38 50.309 2.318 0.676 0.680 0.973 0.730 CB 1.855 38 residues pruned to eliminate duplicates Z: 125 103.272 2.428 0.953 0.630 0.968 0.685 CB 1.787 125 residues pruned to eliminate duplicates Z: 111 91.324 2.413 0.931 0.622 0.955 0.709 CB 1.745 111 residues pruned to eliminate duplicates Z: 131 96.260 2.403 0.871 0.610 0.962 0.708 CB 1.759 131 residues pruned to eliminate duplicates Z: 44 54.593 2.358 0.740 0.669 0.977 0.767 CB 1.777 44 residues pruned to eliminate duplicates Z: 46 54.319 2.364 0.622 0.654 0.978 0.711 CB 1.870 46 residues pruned to eliminate duplicates Z: 42 48.401 2.336 0.661 0.656 0.951 0.756 CB 1.771 42 residues pruned to eliminate duplicates Z: 43 47.019 2.305 0.722 0.611 0.976 0.786 CB 1.687 43 residues pruned to eliminate duplicates Z: 125 99.260 2.421 0.930 0.616 0.960 0.702 CB 1.782 125 residues pruned to eliminate duplicates Z: 122 102.110 2.467 0.943 0.633 0.942 0.760 CB 1.815 122 residues pruned to eliminate duplicates Z: 147 114.847 2.412 0.931 0.645 0.979 0.767 CB 1.820 147 residues pruned to eliminate duplicates Z: 42 54.723 2.350 0.770 0.660 0.976 0.756 CB 1.816 42 residues pruned to eliminate duplicates Z: 107 95.629 2.391 0.942 0.658 0.991 0.774 CB 1.744 107 residues pruned to eliminate duplicates Z: 125 95.606 2.419 0.937 0.618 0.927 0.734 CB 1.768 125 residues pruned to eliminate duplicates Z: 110 82.272 2.356 0.898 0.604 0.927 0.688 CB 1.723 110 residues pruned to eliminate duplicates Z: 44 52.736 2.286 0.780 0.674 1.000 0.767 CB 1.684 44 residues pruned to eliminate duplicates Z: 41 55.545 2.387 0.792 0.675 0.975 0.825 CB 1.792 41 residues pruned to eliminate duplicates Z: 104 92.866 2.406 0.889 0.668 0.961 0.786 CB 1.794 104 residues pruned to eliminate duplicates Z: 41 54.544 2.358 0.764 0.669 0.975 0.750 CB 1.820 41 residues pruned to eliminate duplicates Z: 129 98.397 2.405 0.949 0.612 0.938 0.680 CB 1.780 129 residues pruned to eliminate duplicates Z: 59 55.334 2.342 0.645 0.579 0.983 0.741 CB 1.779 59 residues pruned to eliminate duplicates Z: 106 80.450 2.348 0.894 0.605 0.914 0.686 CB 1.747 106 residues pruned to eliminate duplicates Z: 43 51.342 2.322 0.676 0.664 1.000 0.810 CB 1.749 43 residues pruned to eliminate duplicates Z: 21 17.676 2.065 0.835 0.321 0.950 0.600 CB 1.337 21 residues pruned to eliminate duplicates Z: 53 52.816 2.310 0.842 0.585 0.942 0.769 CB 1.683 53 residues pruned to eliminate duplicates Z: 48 52.397 2.395 0.686 0.607 0.979 0.745 CB 1.746 48 residues pruned to eliminate duplicates Z: 53 54.216 2.305 0.786 0.599 0.981 0.769 CB 1.695 53 residues pruned to eliminate duplicates Z: 41 52.717 2.397 0.807 0.664 0.925 0.750 CB 1.786 41 residues pruned to eliminate duplicates Z: 18 25.846 2.201 1.020 0.460 0.941 0.647 CB 1.560 18 residues pruned to eliminate duplicates Z: 53 54.184 2.277 0.750 0.631 0.981 0.712 CB 1.701 53 residues pruned to eliminate duplicates Z: 49 58.147 2.386 0.771 0.642 0.979 0.812 CB 1.777 49 residues pruned to eliminate duplicates Z: 53 54.158 2.309 0.779 0.615 0.981 0.769 CB 1.671 53 residues pruned to eliminate duplicates Z: 40 49.087 2.325 0.872 0.607 0.949 0.718 CB 1.720 40 residues pruned to eliminate duplicates Z: 42 51.816 2.350 0.790 0.605 0.951 0.780 CB 1.830 42 residues pruned to eliminate duplicates Z: 27 26.592 2.151 0.654 0.498 0.962 0.769 CB 1.528 27 residues pruned to eliminate duplicates Z: 83 87.405 2.413 1.011 0.666 0.927 0.707 CB 1.841 83 residues pruned to eliminate duplicates Z: 42 54.120 2.370 0.860 0.622 0.927 0.756 CB 1.843 42 residues pruned to eliminate duplicates Z: 52 58.076 2.318 0.886 0.584 1.000 0.686 CB 1.717 52 residues pruned to eliminate duplicates Z: 44 53.880 2.284 0.966 0.601 0.953 0.721 CB 1.742 44 residues pruned to eliminate duplicates Z: 46 55.515 2.363 0.871 0.619 0.911 0.733 CB 1.836 46 residues pruned to eliminate duplicates Z: 37 54.957 2.337 0.989 0.661 0.944 0.833 CB 1.797 37 residues pruned to eliminate duplicates Z: 83 71.585 2.345 0.797 0.619 0.939 0.720 CB 1.786 42 residues pruned to eliminate duplicates Z: 17 37.498 2.245 0.938 0.879 0.938 0.812 CB 1.667 17 residues pruned to eliminate duplicates Z: 37 54.191 2.362 0.945 0.645 0.972 0.722 CB 1.765 37 residues pruned to eliminate duplicates Z: 42 64.866 2.388 0.979 0.672 1.000 0.732 CB 1.829 42 residues pruned to eliminate duplicates Z: 37 56.085 2.331 1.029 0.661 0.944 0.750 CB 1.803 37 residues pruned to eliminate duplicates Z: 43 60.018 2.320 1.011 0.630 0.976 0.714 CB 1.798 43 residues pruned to eliminate duplicates Z: 43 52.172 2.313 0.937 0.604 0.952 0.738 CB 1.709 43 residues pruned to eliminate duplicates Z: 42 52.439 2.317 0.764 0.641 0.976 0.683 CB 1.800 42 residues pruned to eliminate duplicates Z: 49 67.702 2.431 1.039 0.656 0.979 0.792 CB 1.743 49 residues pruned to eliminate duplicates Z: 42 54.818 2.340 0.859 0.633 0.976 0.780 CB 1.780 42 residues pruned to eliminate duplicates Z: 49 66.686 2.417 1.044 0.646 0.958 0.750 CB 1.774 49 residues pruned to eliminate duplicates Z: 53 53.776 2.295 0.869 0.586 0.962 0.788 CB 1.664 53 residues pruned to eliminate duplicates Z: 51 63.422 2.371 0.954 0.620 0.980 0.740 CB 1.763 51 residues pruned to eliminate duplicates Z: 52 59.182 2.342 0.936 0.619 0.941 0.843 CB 1.734 52 residues pruned to eliminate duplicates Z: 53 55.003 2.299 0.818 0.626 0.962 0.712 CB 1.685 53 residues pruned to eliminate duplicates Z: 36 57.367 2.374 1.016 0.699 0.943 0.714 CB 1.793 36 residues pruned to eliminate duplicates Z: 41 43.685 2.223 0.831 0.608 0.900 0.700 CB 1.702 41 residues pruned to eliminate duplicates Z: 43 56.057 2.314 1.014 0.625 0.929 0.714 CB 1.777 43 residues pruned to eliminate duplicates Z: 108 84.312 2.334 1.000 0.599 0.916 0.664 CB 1.734 108 residues pruned to eliminate duplicates Z: 37 52.506 2.330 0.892 0.694 0.944 0.861 CB 1.761 37 residues pruned to eliminate duplicates Z: 153 99.118 2.346 0.954 0.617 0.921 0.684 CB 1.705 153 residues pruned to eliminate duplicates 334 residues left after pruning, divided into chains as follows: A: 4 B: 22 C: 308 CC for partial structure against native data = 45.31 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.477, Connect. = 0.761 for dens.mod. cycle 1 = 0.300, Contrast = 0.541, Connect. = 0.787 for dens.mod. cycle 2 = 0.300, Contrast = 0.641, Connect. = 0.815 for dens.mod. cycle 3 = 0.300, Contrast = 0.647, Connect. = 0.818 for dens.mod. cycle 4 = 0.300, Contrast = 0.655, Connect. = 0.820 for dens.mod. cycle 5 = 0.300, Contrast = 0.657, Connect. = 0.822 for dens.mod. cycle 6 = 0.300, Contrast = 0.660, Connect. = 0.824 for dens.mod. cycle 7 = 0.300, Contrast = 0.661, Connect. = 0.825 for dens.mod. cycle 8 = 0.300, Contrast = 0.662, Connect. = 0.826 for dens.mod. cycle 9 = 0.300, Contrast = 0.662, Connect. = 0.826 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2715 peaks > 0.5 sigma used to seed fragment search Space for about 411 unique residues taking solvent into account 542 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 25 67.310 2.502 0.966 0.938 1.000 0.958 C 1.943 B: 40 66.677 2.361 1.150 0.683 0.974 0.692 CB 1.826 C: 37 37.522 2.278 0.838 0.450 0.917 0.611 CB 1.715 D: 26 62.642 2.488 1.082 0.893 0.920 0.880 CB 1.888 E: 25 64.087 2.477 0.852 0.945 1.000 0.833 CB 1.974 25 residues pruned to eliminate duplicates F: 27 55.520 2.353 0.851 0.923 1.000 0.885 CB 1.756 27 residues pruned to eliminate duplicates G: 33 64.298 2.430 1.071 0.681 1.000 0.656 CB 1.913 36 residues pruned to eliminate duplicates H: 9 36.461 2.594 0.978 0.865 1.000 0.875 CA 1.840 I: 25 68.023 2.493 0.969 0.933 1.000 0.958 C 1.975 25 residues pruned to eliminate duplicates J: 27 60.594 2.435 0.828 0.950 1.000 1.000 CB 1.841 27 residues pruned to eliminate duplicates K: 23 54.219 2.486 0.646 0.944 1.000 0.955 CB 1.956 23 residues pruned to eliminate duplicates L: 28 69.344 2.402 1.067 0.932 1.000 0.889 CB 1.877 26 residues pruned to eliminate duplicates M: 28 51.929 2.376 0.678 0.930 1.000 0.815 CB 1.753 29 residues pruned to eliminate duplicates N: 11 30.025 2.286 0.629 0.900 1.000 1.000 CA 1.821 10 residues pruned to eliminate duplicates O: 28 60.721 2.389 0.893 0.937 1.000 0.889 CB 1.799 28 residues pruned to eliminate duplicates P: 25 64.422 2.470 0.943 0.939 1.000 0.833 C 1.904 25 residues pruned to eliminate duplicates Q: 27 61.586 2.361 0.997 0.918 1.000 0.808 CB 1.806 27 residues pruned to eliminate duplicates R: 15 20.373 2.332 0.995 0.395 0.857 0.500 CB 1.525 15 residues pruned to eliminate duplicates S: 27 65.985 2.347 1.204 0.916 1.000 0.846 CB 1.767 27 residues pruned to eliminate duplicates T: 38 69.088 2.440 1.159 0.663 0.973 0.676 CB 1.905 38 residues pruned to eliminate duplicates U: 35 58.884 2.319 1.194 0.674 0.941 0.765 C 1.797 35 residues pruned to eliminate duplicates V: 10 31.491 2.422 0.689 0.861 1.000 1.000 CA 1.885 10 residues pruned to eliminate duplicates W: 21 19.927 2.124 0.943 0.435 0.850 0.500 CB 1.359 21 residues pruned to eliminate duplicates X: 104 93.156 2.434 0.860 0.625 0.981 0.748 CB 1.838 37 residues pruned to eliminate duplicates Y: 32 21.275 1.966 0.714 0.446 0.839 0.484 CB 1.430 32 residues pruned to eliminate duplicates Z: 28 60.915 2.385 0.910 0.912 1.000 0.852 CB 1.822 27 residues pruned to eliminate duplicates Z: 10 34.308 2.447 1.098 0.903 0.889 0.778 CA 1.786 11 residues pruned to eliminate duplicates Z: 27 62.551 2.345 1.134 0.947 1.000 1.000 CB 1.694 27 residues pruned to eliminate duplicates Z: 25 70.312 2.487 1.101 0.950 1.000 0.792 C 1.894 25 residues pruned to eliminate duplicates Z: 15 27.899 2.288 1.094 0.448 0.929 0.500 CB 1.767 15 residues pruned to eliminate duplicates Z: 25 69.194 2.469 1.049 0.937 1.000 1.000 C 1.943 25 residues pruned to eliminate duplicates Z: 25 65.053 2.469 0.920 0.932 1.000 0.958 C 1.955 25 residues pruned to eliminate duplicates Z: 94 81.837 2.400 1.037 0.577 0.925 0.710 CB 1.742 116 residues pruned to eliminate duplicates Z: 27 59.796 2.440 0.909 0.925 1.000 0.962 CB 1.767 27 residues pruned to eliminate duplicates Z: 26 68.702 2.505 0.973 0.918 1.000 0.920 CB 1.961 28 residues pruned to eliminate duplicates Z: 24 63.996 2.466 0.983 0.942 1.000 0.826 C 1.892 24 residues pruned to eliminate duplicates Z: 125 102.252 2.436 0.959 0.623 0.960 0.702 CB 1.786 125 residues pruned to eliminate duplicates Z: 23 42.078 2.204 0.874 0.756 0.955 0.727 CA 1.811 Z: 28 67.157 2.370 1.248 0.908 0.963 0.778 CB 1.789 26 residues pruned to eliminate duplicates Z: 124 97.951 2.429 0.942 0.609 0.935 0.683 CB 1.805 124 residues pruned to eliminate duplicates Z: 28 52.053 2.398 0.666 0.922 0.963 0.926 CB 1.831 28 residues pruned to eliminate duplicates Z: 10 34.037 2.309 0.894 0.910 1.000 0.667 CB 1.840 10 residues pruned to eliminate duplicates Z: 29 18.109 2.039 0.681 0.361 0.857 0.464 CB 1.354 Z: 25 68.627 2.482 1.090 0.938 1.000 0.833 C 1.878 25 residues pruned to eliminate duplicates Z: 26 77.216 2.541 1.142 0.956 1.000 0.800 CB 1.948 27 residues pruned to eliminate duplicates Z: 32 65.548 2.371 1.195 0.698 1.000 0.677 CB 1.888 23 residues pruned to eliminate duplicates Z: 9 23.456 2.447 0.383 0.858 1.000 1.000 CA 1.805 9 residues pruned to eliminate duplicates Z: 26 68.747 2.526 0.859 0.952 1.000 0.920 C 2.018 26 residues pruned to eliminate duplicates Z: 15 44.654 2.466 0.768 0.934 1.000 1.000 CB 1.909 15 residues pruned to eliminate duplicates Z: 9 32.753 2.570 0.597 0.890 1.000 1.000 CA 2.029 9 residues pruned to eliminate duplicates Z: 10 37.149 2.359 0.974 0.873 1.000 1.000 C 1.938 10 residues pruned to eliminate duplicates Z: 13 17.018 2.145 1.037 0.464 0.750 0.583 CB 1.555 Z: 15 33.219 2.289 0.470 0.947 1.000 0.929 CA 1.823 15 residues pruned to eliminate duplicates Z: 9 35.994 2.469 0.910 0.892 1.000 1.000 CB 1.939 9 residues pruned to eliminate duplicates Z: 15 38.121 2.313 0.613 0.929 1.000 0.857 C 1.912 15 residues pruned to eliminate duplicates Z: 9 32.426 2.501 0.694 0.908 1.000 1.000 CA 1.922 9 residues pruned to eliminate duplicates Z: 25 80.732 2.592 1.109 0.956 1.000 0.833 C 2.071 27 residues pruned to eliminate duplicates Z: 26 74.257 2.542 1.125 0.959 0.960 0.880 CB 1.964 26 residues pruned to eliminate duplicates Z: 70 64.591 2.414 0.854 0.606 0.928 0.681 CB 1.693 59 residues pruned to eliminate duplicates Z: 14 34.888 2.357 0.638 0.927 0.923 0.692 CB 1.904 14 residues pruned to eliminate duplicates Z: 17 34.321 2.217 0.746 0.921 1.000 0.688 CB 1.560 17 residues pruned to eliminate duplicates Z: 91 83.728 2.354 0.877 0.676 0.956 0.722 CB 1.778 91 residues pruned to eliminate duplicates Z: 25 68.803 2.506 1.046 0.945 1.000 0.917 C 1.895 25 residues pruned to eliminate duplicates Z: 12 17.195 2.298 1.284 0.448 0.727 0.727 CB 1.433 12 residues pruned to eliminate duplicates Z: 14 38.618 2.389 0.609 0.945 1.000 1.000 C 1.928 14 residues pruned to eliminate duplicates Z: 27 71.224 2.483 1.084 0.940 1.000 0.846 CB 1.875 27 residues pruned to eliminate duplicates Z: 48 58.282 2.377 0.847 0.729 0.915 0.745 CB 1.723 41 residues pruned to eliminate duplicates Z: 16 34.941 2.245 0.515 0.924 1.000 0.867 C 1.863 16 residues pruned to eliminate duplicates Z: 16 33.152 2.402 0.476 0.872 1.000 0.733 CB 1.759 16 residues pruned to eliminate duplicates Z: 26 64.185 2.525 0.851 0.934 0.960 0.840 CB 1.995 26 residues pruned to eliminate duplicates Z: 9 34.446 2.496 0.798 0.912 1.000 1.000 C 1.922 9 residues pruned to eliminate duplicates Z: 9 34.047 2.508 0.750 0.889 1.000 1.000 C 1.975 9 residues pruned to eliminate duplicates Z: 12 18.042 2.148 1.161 0.467 0.818 0.636 CB 1.481 12 residues pruned to eliminate duplicates Z: 38 63.382 2.427 1.069 0.663 0.946 0.568 CB 1.887 33 residues pruned to eliminate duplicates Z: 16 45.640 2.402 0.835 0.912 1.000 0.800 CA 1.892 16 residues pruned to eliminate duplicates Z: 28 67.330 2.385 1.121 0.926 1.000 0.926 CB 1.796 28 residues pruned to eliminate duplicates Z: 27 67.127 2.411 1.109 0.928 1.000 0.846 CB 1.813 27 residues pruned to eliminate duplicates Z: 27 61.216 2.349 1.036 0.924 1.000 0.885 CB 1.763 27 residues pruned to eliminate duplicates Z: 73 70.089 2.390 0.850 0.596 0.972 0.694 CB 1.754 72 residues pruned to eliminate duplicates Z: 21 20.808 2.105 0.812 0.463 0.900 0.600 CB 1.407 Z: 41 66.788 2.392 1.030 0.773 0.975 0.750 CB 1.752 41 residues pruned to eliminate duplicates Z: 127 89.424 2.385 0.886 0.573 0.944 0.659 CB 1.747 127 residues pruned to eliminate duplicates Z: 28 55.626 2.389 0.776 0.924 1.000 0.852 CB 1.772 28 residues pruned to eliminate duplicates Z: 16 45.840 2.382 0.875 0.928 1.000 0.800 CB 1.855 16 residues pruned to eliminate duplicates Z: 15 37.290 2.484 0.537 0.902 1.000 1.000 CB 1.862 15 residues pruned to eliminate duplicates Z: 15 33.297 2.278 0.482 0.932 1.000 0.929 C 1.841 15 residues pruned to eliminate duplicates Z: 59 57.081 2.363 0.743 0.610 0.931 0.690 CB 1.760 60 residues pruned to eliminate duplicates Z: 17 25.582 2.275 0.305 0.848 0.938 0.812 CB 1.705 17 residues pruned to eliminate duplicates Z: 16 36.005 2.274 0.840 0.855 0.933 0.733 CB 1.757 Z: 19 21.057 1.880 1.063 0.580 0.889 0.667 CB 1.333 Z: 25 68.921 2.532 1.028 0.940 0.958 0.875 CB 1.985 25 residues pruned to eliminate duplicates Z: 25 75.019 2.486 1.304 0.939 1.000 0.833 C 1.859 25 residues pruned to eliminate duplicates Z: 28 52.128 2.341 0.663 0.934 1.000 0.926 CB 1.797 28 residues pruned to eliminate duplicates Z: 6 19.000 2.202 0.552 0.861 1.000 0.800 CB 1.827 6 residues pruned to eliminate duplicates Z: 68 58.771 2.372 0.807 0.612 0.896 0.716 CB 1.682 68 residues pruned to eliminate duplicates Z: 27 64.158 2.335 1.103 0.920 1.000 0.846 C 1.805 27 residues pruned to eliminate duplicates Z: 25 74.385 2.492 1.246 0.951 1.000 0.917 C 1.871 25 residues pruned to eliminate duplicates Z: 16 32.534 2.411 0.403 0.877 1.000 0.933 CB 1.802 16 residues pruned to eliminate duplicates Z: 89 85.531 2.425 1.138 0.598 0.909 0.716 CB 1.762 89 residues pruned to eliminate duplicates Z: 15 36.569 2.321 0.775 0.859 0.929 0.786 C 1.880 15 residues pruned to eliminate duplicates Z: 15 31.240 2.336 0.416 0.920 1.000 0.929 CB 1.778 15 residues pruned to eliminate duplicates Z: 16 22.824 2.183 0.188 0.904 0.933 0.933 C 1.735 16 residues pruned to eliminate duplicates Z: 15 38.350 2.284 0.836 0.945 1.000 0.857 C 1.691 15 residues pruned to eliminate duplicates Z: 28 58.985 2.356 0.950 0.922 0.963 0.852 CB 1.805 28 residues pruned to eliminate duplicates Z: 41 55.504 2.287 0.876 0.669 0.950 0.775 CB 1.842 66 residues pruned to eliminate duplicates Z: 26 73.825 2.521 1.041 0.944 1.000 0.960 CB 1.988 26 residues pruned to eliminate duplicates Z: 25 63.964 2.485 0.945 0.944 1.000 0.833 C 1.871 25 residues pruned to eliminate duplicates Z: 7 15.720 2.140 0.331 0.850 1.000 0.500 CA 1.669 7 residues pruned to eliminate duplicates Z: 27 45.993 2.401 0.405 0.933 1.000 0.923 CB 1.866 27 residues pruned to eliminate duplicates Z: 129 96.195 2.388 0.895 0.615 0.953 0.727 CB 1.768 129 residues pruned to eliminate duplicates Z: 26 34.790 2.263 1.079 0.482 0.880 0.560 CB 1.711 26 residues pruned to eliminate duplicates Z: 37 27.623 2.269 0.823 0.414 0.833 0.472 CB 1.462 37 residues pruned to eliminate duplicates Z: 39 63.998 2.356 1.122 0.638 0.974 0.632 CB 1.874 39 residues pruned to eliminate duplicates Z: 15 35.614 2.448 0.523 0.922 1.000 0.929 CB 1.794 15 residues pruned to eliminate duplicates Z: 25 69.909 2.502 1.099 0.942 1.000 0.792 C 1.884 25 residues pruned to eliminate duplicates Z: 46 49.593 2.295 0.740 0.616 0.956 0.689 CB 1.737 13 residues pruned to eliminate duplicates Z: 13 16.495 2.211 0.835 0.433 0.750 0.583 CB 1.678 13 residues pruned to eliminate duplicates Z: 20 18.662 1.838 0.910 0.520 0.947 0.632 CB 1.262 19 residues pruned to eliminate duplicates Z: 27 68.443 2.441 1.025 0.947 1.000 0.731 CB 1.877 27 residues pruned to eliminate duplicates Z: 10 28.409 2.438 1.157 0.562 0.889 0.778 CB 1.907 11 residues pruned to eliminate duplicates Z: 52 53.717 2.295 0.892 0.606 0.941 0.686 CB 1.664 55 residues pruned to eliminate duplicates Z: 17 29.160 2.279 0.344 0.874 1.000 0.812 CB 1.732 17 residues pruned to eliminate duplicates Z: 17 38.587 2.318 0.702 0.851 1.000 0.875 CA 1.810 17 residues pruned to eliminate duplicates Z: 16 27.203 2.392 0.215 0.882 1.000 0.933 CB 1.748 16 residues pruned to eliminate duplicates Z: 40 43.576 2.287 0.958 0.440 0.949 0.487 CB 1.748 41 residues pruned to eliminate duplicates Z: 36 44.828 2.312 0.793 0.608 0.914 0.629 CB 1.806 36 residues pruned to eliminate duplicates Z: 16 35.042 2.282 0.560 0.935 1.000 0.933 CB 1.771 16 residues pruned to eliminate duplicates Z: 81 68.172 2.339 1.067 0.562 0.900 0.650 CB 1.650 100 residues pruned to eliminate duplicates Z: 77 60.572 2.340 1.002 0.544 0.882 0.592 CB 1.611 77 residues pruned to eliminate duplicates Z: 53 68.008 2.361 1.073 0.691 0.962 0.654 CB 1.682 53 residues pruned to eliminate duplicates Z: 7 14.350 2.147 0.192 0.858 1.000 0.500 CA 1.685 7 residues pruned to eliminate duplicates Z: 12 17.275 2.163 0.982 0.464 0.727 0.545 CB 1.733 12 residues pruned to eliminate duplicates Z: 83 70.485 2.345 0.970 0.584 0.915 0.671 CB 1.699 83 residues pruned to eliminate duplicates Z: 27 68.599 2.355 1.281 0.932 1.000 0.885 C 1.748 27 residues pruned to eliminate duplicates Z: 33 50.708 2.255 0.966 0.675 0.969 0.594 CB 1.777 33 residues pruned to eliminate duplicates Z: 137 98.402 2.382 0.935 0.585 0.934 0.691 CB 1.808 137 residues pruned to eliminate duplicates Z: 11 19.776 2.150 1.410 0.510 0.900 0.700 CB 1.327 10 residues pruned to eliminate duplicates Z: 16 13.284 1.902 0.530 0.483 0.867 0.333 CB 1.383 16 residues pruned to eliminate duplicates Z: 25 62.637 2.483 0.970 0.937 1.000 0.833 C 1.818 25 residues pruned to eliminate duplicates Z: 9 26.085 2.220 0.752 0.868 1.000 1.000 CA 1.733 9 residues pruned to eliminate duplicates Z: 16 38.836 2.277 0.824 0.862 1.000 0.600 C 1.773 16 residues pruned to eliminate duplicates Z: 25 77.169 2.498 1.357 0.930 1.000 0.750 C 1.870 25 residues pruned to eliminate duplicates Z: 21 30.431 2.372 0.841 0.404 0.900 0.300 CB 1.915 21 residues pruned to eliminate duplicates Z: 17 37.673 2.165 0.833 0.899 0.938 0.812 C 1.810 17 residues pruned to eliminate duplicates Z: 26 62.233 2.485 0.831 0.943 1.000 0.840 CB 1.895 26 residues pruned to eliminate duplicates Z: 15 42.942 2.396 0.865 0.929 1.000 0.500 CB 1.797 15 residues pruned to eliminate duplicates Z: 10 29.758 2.411 0.546 0.884 1.000 0.889 CA 1.922 10 residues pruned to eliminate duplicates Z: 16 32.243 2.180 0.778 0.878 0.933 0.733 C 1.670 16 residues pruned to eliminate duplicates Z: 39 58.859 2.346 0.965 0.670 0.947 0.579 CB 1.870 39 residues pruned to eliminate duplicates Z: 28 55.904 2.402 0.755 0.919 1.000 0.926 CB 1.798 28 residues pruned to eliminate duplicates Z: 28 63.463 2.403 1.013 0.938 0.963 0.778 CB 1.823 28 residues pruned to eliminate duplicates Z: 9 33.503 2.456 0.751 0.905 1.000 1.000 CA 1.960 9 residues pruned to eliminate duplicates Z: 27 68.396 2.467 0.960 0.946 1.000 0.923 CB 1.918 27 residues pruned to eliminate duplicates Z: 28 57.553 2.374 0.855 0.927 1.000 0.815 CB 1.764 28 residues pruned to eliminate duplicates Z: 105 100.985 2.420 1.005 0.663 0.971 0.712 CB 1.807 104 residues pruned to eliminate duplicates Z: 16 38.082 2.295 0.685 0.924 1.000 0.867 CB 1.787 16 residues pruned to eliminate duplicates Z: 21 31.903 2.352 1.114 0.494 0.850 0.700 CB 1.698 21 residues pruned to eliminate duplicates Z: 16 38.598 2.175 0.822 0.919 1.000 0.867 C 1.773 16 residues pruned to eliminate duplicates Z: 17 33.875 2.170 0.961 0.812 0.875 0.625 CB 1.734 17 residues pruned to eliminate duplicates Z: 50 52.634 2.335 0.821 0.632 0.939 0.816 CB 1.664 51 residues pruned to eliminate duplicates Z: 50 61.577 2.325 0.945 0.652 0.980 0.755 CB 1.723 50 residues pruned to eliminate duplicates Z: 8 12.706 1.801 0.797 0.873 0.857 0.714 C 1.261 8 residues pruned to eliminate duplicates Z: 48 75.238 2.469 1.077 0.732 0.915 0.787 CB 1.898 48 residues pruned to eliminate duplicates Z: 17 25.209 2.266 0.246 0.815 1.000 0.812 CB 1.699 17 residues pruned to eliminate duplicates Z: 15 35.162 2.386 0.533 0.909 1.000 0.857 CB 1.824 15 residues pruned to eliminate duplicates Z: 25 64.309 2.480 0.991 0.937 1.000 0.917 C 1.850 25 residues pruned to eliminate duplicates Z: 16 39.519 2.302 0.887 0.910 0.933 0.800 C 1.786 16 residues pruned to eliminate duplicates Z: 9 41.884 2.581 1.093 0.887 1.000 1.000 CA 1.977 9 residues pruned to eliminate duplicates Z: 16 33.469 2.280 0.656 0.893 0.933 0.933 C 1.760 16 residues pruned to eliminate duplicates Z: 62 70.461 2.408 1.012 0.639 0.918 0.672 CB 1.781 62 residues pruned to eliminate duplicates Z: 10 32.400 2.282 0.852 0.895 1.000 0.778 C 1.832 10 residues pruned to eliminate duplicates Z: 127 96.343 2.393 0.926 0.616 0.944 0.690 CB 1.767 126 residues pruned to eliminate duplicates Z: 64 70.083 2.397 0.949 0.645 0.937 0.714 CB 1.762 64 residues pruned to eliminate duplicates Z: 8 8.847 2.111 0.505 0.674 0.571 0.429 CA 1.569 8 residues pruned to eliminate duplicates Z: 82 65.562 2.265 1.062 0.551 0.914 0.568 CB 1.624 82 residues pruned to eliminate duplicates Z: 15 31.021 2.264 0.466 0.920 1.000 0.929 C 1.759 15 residues pruned to eliminate duplicates Z: 44 50.228 2.391 0.605 0.657 0.953 0.814 CB 1.810 46 residues pruned to eliminate duplicates Z: 54 69.456 2.402 1.106 0.630 0.943 0.736 CB 1.769 53 residues pruned to eliminate duplicates Z: 17 36.316 2.228 0.834 0.823 1.000 0.688 CA 1.679 17 residues pruned to eliminate duplicates Z: 17 31.966 2.251 0.504 0.877 1.000 0.875 CB 1.714 17 residues pruned to eliminate duplicates Z: 36 17.986 1.653 0.553 0.644 0.971 0.600 CB 1.065 36 residues pruned to eliminate duplicates Z: 15 43.481 2.274 0.950 0.953 1.000 0.857 C 1.803 15 residues pruned to eliminate duplicates Z: 68 64.461 2.373 0.853 0.603 0.955 0.687 CB 1.700 68 residues pruned to eliminate duplicates Z: 21 29.231 2.306 0.982 0.503 0.850 0.650 CB 1.677 21 residues pruned to eliminate duplicates Z: 126 96.510 2.413 0.860 0.627 0.960 0.704 CB 1.779 126 residues pruned to eliminate duplicates Z: 57 68.480 2.407 0.925 0.650 0.964 0.696 CB 1.780 57 residues pruned to eliminate duplicates Z: 105 90.023 2.397 0.905 0.619 0.962 0.712 CB 1.796 105 residues pruned to eliminate duplicates Z: 54 52.103 2.254 0.856 0.609 0.943 0.679 CB 1.635 54 residues pruned to eliminate duplicates Z: 50 57.817 2.331 0.875 0.636 0.980 0.816 CB 1.699 50 residues pruned to eliminate duplicates Z: 16 33.203 2.269 0.693 0.857 0.933 0.667 CB 1.762 16 residues pruned to eliminate duplicates Z: 38 40.524 2.320 0.884 0.512 0.973 0.730 CB 1.548 38 residues pruned to eliminate duplicates Z: 43 49.210 2.331 0.656 0.651 0.976 0.762 CB 1.751 42 residues pruned to eliminate duplicates Z: 16 22.071 2.300 1.152 0.420 0.800 0.467 CB 1.564 16 residues pruned to eliminate duplicates Z: 10 27.751 2.334 0.714 0.865 1.000 0.444 CB 1.695 10 residues pruned to eliminate duplicates Z: 106 93.979 2.401 0.886 0.681 0.971 0.819 CB 1.765 106 residues pruned to eliminate duplicates Z: 27 51.502 2.395 0.601 0.943 1.000 0.885 CB 1.825 27 residues pruned to eliminate duplicates Z: 38 59.307 2.425 0.895 0.693 0.946 0.703 CB 1.881 37 residues pruned to eliminate duplicates Z: 105 96.494 2.425 0.891 0.670 0.981 0.683 CB 1.798 105 residues pruned to eliminate duplicates Z: 19 19.954 1.951 0.899 0.428 0.889 0.444 C 1.539 19 residues pruned to eliminate duplicates Z: 81 68.937 2.311 0.982 0.584 0.913 0.625 CB 1.701 81 residues pruned to eliminate duplicates Z: 58 54.072 2.358 0.626 0.610 0.965 0.737 CB 1.745 58 residues pruned to eliminate duplicates Z: 125 103.725 2.420 0.975 0.630 0.968 0.694 CB 1.782 125 residues pruned to eliminate duplicates Z: 11 12.327 1.890 0.782 0.542 0.900 0.600 CB 1.235 11 residues pruned to eliminate duplicates Z: 9 32.521 2.553 0.678 0.898 1.000 1.000 C 1.920 9 residues pruned to eliminate duplicates Z: 39 54.328 2.361 0.818 0.648 0.974 0.605 CB 1.836 39 residues pruned to eliminate duplicates Z: 25 74.786 2.509 1.288 0.937 1.000 0.833 C 1.850 25 residues pruned to eliminate duplicates Z: 106 92.187 2.397 0.876 0.670 0.962 0.724 CB 1.777 106 residues pruned to eliminate duplicates Z: 64 75.501 2.345 1.095 0.629 0.937 0.651 CB 1.832 64 residues pruned to eliminate duplicates Z: 10 21.424 2.398 0.800 0.514 0.889 0.667 CB 1.835 10 residues pruned to eliminate duplicates Z: 31 14.967 1.569 0.512 0.713 0.933 0.767 CB 1.018 Z: 16 43.553 2.218 0.978 0.922 1.000 0.800 CA 1.802 16 residues pruned to eliminate duplicates Z: 17 32.543 2.169 0.603 0.882 1.000 0.938 CB 1.694 17 residues pruned to eliminate duplicates Z: 41 59.347 2.369 0.852 0.682 1.000 0.800 CB 1.809 41 residues pruned to eliminate duplicates Z: 27 53.683 2.413 0.747 0.913 1.000 0.885 CB 1.768 27 residues pruned to eliminate duplicates Z: 23 25.397 2.288 0.756 0.380 0.864 0.500 CB 1.774 23 residues pruned to eliminate duplicates Z: 38 50.298 2.417 0.666 0.655 0.946 0.703 CB 1.880 38 residues pruned to eliminate duplicates Z: 46 82.293 2.430 1.321 0.750 0.978 0.756 CB 1.780 46 residues pruned to eliminate duplicates Z: 41 52.879 2.335 0.804 0.645 0.950 0.775 CB 1.824 41 residues pruned to eliminate duplicates Z: 42 49.122 2.349 0.744 0.635 0.951 0.829 CB 1.734 42 residues pruned to eliminate duplicates Z: 28 51.655 2.327 0.723 0.900 1.000 0.778 CB 1.771 28 residues pruned to eliminate duplicates Z: 67 58.384 2.339 0.973 0.607 0.864 0.636 CB 1.628 67 residues pruned to eliminate duplicates Z: 17 29.560 2.181 0.736 0.786 0.938 0.812 CB 1.619 17 residues pruned to eliminate duplicates Z: 50 55.912 2.365 0.817 0.633 0.959 0.776 CB 1.710 50 residues pruned to eliminate duplicates Z: 27 62.800 2.424 0.945 0.936 1.000 0.885 CB 1.819 27 residues pruned to eliminate duplicates Z: 34 20.993 1.726 0.712 0.668 0.939 0.727 CB 1.128 65 residues pruned to eliminate duplicates Z: 14 9.298 2.156 0.654 0.112 0.846 0.385 CB 1.396 14 residues pruned to eliminate duplicates Z: 79 73.992 2.406 1.048 0.600 0.885 0.628 CB 1.747 79 residues pruned to eliminate duplicates Z: 68 84.486 2.423 1.159 0.649 0.985 0.701 CB 1.744 68 residues pruned to eliminate duplicates Z: 41 51.226 2.351 0.680 0.681 0.950 0.775 CB 1.828 41 residues pruned to eliminate duplicates Z: 26 40.173 2.273 0.824 0.681 0.960 0.760 CB 1.709 26 residues pruned to eliminate duplicates Z: 88 82.233 2.378 1.040 0.604 0.931 0.598 CB 1.768 88 residues pruned to eliminate duplicates Z: 34 60.029 2.430 1.138 0.689 0.939 0.606 CB 1.801 34 residues pruned to eliminate duplicates Z: 106 95.954 2.406 0.971 0.675 0.952 0.733 CB 1.766 106 residues pruned to eliminate duplicates Z: 90 83.099 2.425 1.009 0.591 0.944 0.640 CB 1.755 90 residues pruned to eliminate duplicates Z: 40 61.572 2.319 1.095 0.750 0.923 0.744 C 1.759 40 residues pruned to eliminate duplicates Z: 124 99.328 2.421 0.920 0.628 0.943 0.748 CB 1.811 124 residues pruned to eliminate duplicates Z: 26 77.442 2.421 1.445 0.951 1.000 0.920 C 1.804 26 residues pruned to eliminate duplicates Z: 8 13.297 1.958 0.732 0.650 1.000 0.571 CA 1.289 8 residues pruned to eliminate duplicates Z: 11 21.358 2.196 1.054 0.611 0.900 0.600 CB 1.497 11 residues pruned to eliminate duplicates Z: 7 6.380 2.186 0.422 0.389 0.667 0.167 CB 1.415 7 residues pruned to eliminate duplicates Z: 27 73.387 2.345 1.397 0.916 1.000 0.769 CB 1.808 27 residues pruned to eliminate duplicates Z: 67 65.227 2.303 1.031 0.585 0.909 0.652 CB 1.741 67 residues pruned to eliminate duplicates Z: 17 44.774 2.124 1.081 0.886 1.000 0.750 C 1.827 17 residues pruned to eliminate duplicates Z: 27 74.820 2.402 1.300 0.935 1.000 0.885 C 1.851 27 residues pruned to eliminate duplicates Z: 87 63.539 2.353 0.831 0.535 0.919 0.616 CB 1.672 87 residues pruned to eliminate duplicates Z: 104 95.345 2.441 0.914 0.630 0.961 0.718 CB 1.851 104 residues pruned to eliminate duplicates Z: 20 19.235 2.169 0.637 0.410 0.842 0.632 CB 1.622 20 residues pruned to eliminate duplicates Z: 16 44.105 2.250 1.040 0.948 1.000 0.867 C 1.713 16 residues pruned to eliminate duplicates Z: 24 27.171 2.401 0.821 0.409 0.826 0.435 CB 1.726 24 residues pruned to eliminate duplicates Z: 27 64.094 2.359 1.156 0.926 0.962 0.846 C 1.803 27 residues pruned to eliminate duplicates Z: 39 65.780 2.374 1.125 0.689 0.974 0.711 CB 1.827 39 residues pruned to eliminate duplicates Z: 50 62.229 2.361 0.907 0.676 0.980 0.776 CB 1.714 52 residues pruned to eliminate duplicates Z: 22 23.797 2.223 0.724 0.444 0.810 0.524 CB 1.773 22 residues pruned to eliminate duplicates Z: 42 56.882 2.326 0.949 0.659 0.951 0.756 CB 1.779 42 residues pruned to eliminate duplicates Z: 7 15.980 2.150 0.411 0.901 1.000 0.667 CB 1.535 7 residues pruned to eliminate duplicates Z: 8 15.678 2.104 0.811 0.664 0.857 0.571 CB 1.559 8 residues pruned to eliminate duplicates Z: 29 25.251 2.093 0.807 0.502 0.857 0.643 CB 1.470 29 residues pruned to eliminate duplicates Z: 10 34.089 2.365 0.782 0.847 1.000 0.889 C 2.002 10 residues pruned to eliminate duplicates Z: 33 28.034 2.275 0.726 0.403 0.906 0.562 CB 1.541 33 residues pruned to eliminate duplicates Z: 123 106.219 2.461 0.984 0.637 0.951 0.721 CB 1.822 123 residues pruned to eliminate duplicates Z: 28 56.457 2.370 0.779 0.924 0.963 0.815 CB 1.879 28 residues pruned to eliminate duplicates Z: 26 63.026 2.430 0.968 0.952 1.000 0.880 C 1.816 26 residues pruned to eliminate duplicates Z: 74 44.517 1.985 0.762 0.626 0.945 0.712 CB 1.399 86 residues pruned to eliminate duplicates Z: 15 29.398 2.269 0.373 0.887 1.000 0.857 CB 1.818 15 residues pruned to eliminate duplicates Z: 8 6.034 2.106 0.681 0.379 0.714 0.571 CB 1.026 8 residues pruned to eliminate duplicates Z: 25 76.376 2.492 1.336 0.956 1.000 0.875 C 1.840 25 residues pruned to eliminate duplicates Z: 6 5.556 1.839 0.377 0.587 0.800 0.800 CB 1.128 6 residues pruned to eliminate duplicates Z: 16 48.015 2.372 0.931 0.929 1.000 0.867 CA 1.893 16 residues pruned to eliminate duplicates Z: 27 74.675 2.360 1.437 0.922 1.000 0.885 C 1.790 27 residues pruned to eliminate duplicates Z: 23 13.908 1.721 0.500 0.533 0.955 0.636 CB 1.165 23 residues pruned to eliminate duplicates Z: 36 60.665 2.405 0.896 0.747 0.971 0.857 CB 1.857 35 residues pruned to eliminate duplicates Z: 46 49.912 2.265 0.807 0.640 0.933 0.756 CB 1.708 46 residues pruned to eliminate duplicates Z: 42 43.132 2.225 1.019 0.505 0.927 0.683 CB 1.609 42 residues pruned to eliminate duplicates Z: 60 57.862 2.343 0.753 0.581 0.966 0.763 CB 1.757 60 residues pruned to eliminate duplicates Z: 56 50.842 2.367 0.547 0.593 0.964 0.782 CB 1.777 56 residues pruned to eliminate duplicates Z: 26 68.304 2.404 1.182 0.947 1.000 0.840 C 1.800 26 residues pruned to eliminate duplicates Z: 14 26.866 2.282 1.199 0.545 0.846 0.538 CB 1.680 14 residues pruned to eliminate duplicates Z: 26 28.415 2.398 0.909 0.398 0.840 0.440 CB 1.646 26 residues pruned to eliminate duplicates Z: 9 31.651 2.391 0.975 0.887 1.000 0.500 CB 1.709 9 residues pruned to eliminate duplicates Z: 17 32.553 2.279 0.624 0.748 1.000 0.750 CB 1.761 17 residues pruned to eliminate duplicates Z: 65 70.477 2.406 0.967 0.641 0.922 0.719 CB 1.770 65 residues pruned to eliminate duplicates Z: 124 96.549 2.407 0.999 0.595 0.927 0.683 CB 1.782 124 residues pruned to eliminate duplicates Z: 9 30.994 2.499 0.691 0.873 1.000 0.625 CB 1.889 9 residues pruned to eliminate duplicates Z: 18 28.370 2.193 0.927 0.589 1.000 0.588 CB 1.495 18 residues pruned to eliminate duplicates Z: 29 31.284 2.248 0.755 0.535 0.857 0.643 CB 1.689 14 residues pruned to eliminate duplicates Z: 10 18.392 2.248 0.865 0.469 0.889 0.667 CB 1.698 10 residues pruned to eliminate duplicates Z: 43 51.312 2.304 0.823 0.640 0.952 0.762 CB 1.735 43 residues pruned to eliminate duplicates Z: 28 67.410 2.381 1.090 0.940 1.000 0.963 CB 1.810 28 residues pruned to eliminate duplicates Z: 60 70.831 2.326 1.065 0.711 0.966 0.746 CB 1.641 60 residues pruned to eliminate duplicates Z: 123 97.216 2.448 0.848 0.620 0.959 0.738 CB 1.811 123 residues pruned to eliminate duplicates Z: 58 52.474 2.362 0.582 0.603 0.965 0.789 CB 1.748 58 residues pruned to eliminate duplicates Z: 28 59.078 2.341 0.962 0.916 1.000 0.704 CB 1.748 28 residues pruned to eliminate duplicates Z: 9 14.083 1.771 0.537 0.881 1.000 0.750 N 1.324 9 residues pruned to eliminate duplicates Z: 20 9.767 1.589 0.202 0.746 1.000 0.737 CB 0.941 Z: 23 9.117 1.514 0.227 0.660 0.955 0.727 CB 0.945 23 residues pruned to eliminate duplicates Z: 14 14.316 2.102 0.579 0.529 0.923 0.692 CB 1.260 14 residues pruned to eliminate duplicates Z: 22 34.340 2.101 0.962 0.620 0.952 0.619 CB 1.704 22 residues pruned to eliminate duplicates Z: 8 17.270 1.852 0.709 0.866 1.000 1.000 CB 1.510 8 residues pruned to eliminate duplicates Z: 23 11.651 2.002 0.409 0.356 0.818 0.545 CB 1.257 23 residues pruned to eliminate duplicates Z: 10 12.848 1.893 1.013 0.418 0.889 0.333 CB 1.378 10 residues pruned to eliminate duplicates Z: 9 12.358 1.702 0.443 0.877 1.000 0.875 CB 1.292 9 residues pruned to eliminate duplicates Z: 147 98.597 2.387 0.790 0.612 0.973 0.740 CB 1.767 230 residues pruned to eliminate duplicates Z: 16 38.536 2.355 0.721 0.887 1.000 0.933 CB 1.771 16 residues pruned to eliminate duplicates Z: 49 72.998 2.435 1.168 0.686 0.938 0.771 CB 1.795 Z: 90 72.288 2.339 0.718 0.623 0.966 0.730 CB 1.756 90 residues pruned to eliminate duplicates Z: 27 61.698 2.327 0.971 0.937 1.000 0.846 CB 1.835 27 residues pruned to eliminate duplicates Z: 49 67.210 2.436 0.845 0.664 0.979 0.792 CB 1.893 49 residues pruned to eliminate duplicates Z: 43 44.798 2.309 0.564 0.624 0.976 0.810 CB 1.744 43 residues pruned to eliminate duplicates Z: 111 78.060 2.305 0.973 0.578 0.909 0.655 CB 1.669 160 residues pruned to eliminate duplicates Z: 71 82.904 2.366 1.156 0.663 0.971 0.771 CB 1.719 71 residues pruned to eliminate duplicates Z: 6 14.015 2.242 0.189 0.871 1.000 0.400 CB 1.714 6 residues pruned to eliminate duplicates Z: 38 47.610 2.280 0.849 0.672 0.946 0.784 CB 1.675 38 residues pruned to eliminate duplicates Z: 83 68.041 2.334 0.708 0.617 0.951 0.744 CB 1.773 41 residues pruned to eliminate duplicates Z: 7 4.355 1.504 0.251 0.568 0.833 0.667 CA 1.062 Z: 16 20.027 1.914 0.921 0.656 0.933 0.800 CB 1.304 Z: 138 94.176 2.384 0.889 0.588 0.949 0.701 CB 1.730 138 residues pruned to eliminate duplicates Z: 26 21.647 2.145 0.731 0.387 0.880 0.640 CB 1.493 Z: 38 56.091 2.358 0.906 0.667 0.973 0.622 CB 1.806 38 residues pruned to eliminate duplicates Z: 22 30.056 2.174 0.592 0.636 0.952 0.810 CB 1.752 22 residues pruned to eliminate duplicates Z: 20 29.248 2.307 0.493 0.614 0.947 0.737 C 1.845 20 residues pruned to eliminate duplicates Z: 16 13.703 1.738 0.632 0.596 0.933 0.667 CB 1.220 16 residues pruned to eliminate duplicates Z: 86 81.135 2.420 0.863 0.621 0.976 0.706 CB 1.784 86 residues pruned to eliminate duplicates Z: 74 63.531 2.334 0.992 0.580 0.877 0.630 CB 1.689 74 residues pruned to eliminate duplicates Z: 9 15.765 2.130 0.660 0.440 1.000 0.625 C 1.677 9 residues pruned to eliminate duplicates Z: 25 76.241 2.497 1.339 0.952 1.000 0.875 C 1.836 25 residues pruned to eliminate duplicates Z: 29 30.112 2.287 0.945 0.451 0.786 0.536 CB 1.711 29 residues pruned to eliminate duplicates Z: 9 8.511 1.899 1.117 0.379 0.625 0.375 CB 1.362 8 residues pruned to eliminate duplicates Z: 6 5.540 1.591 0.707 0.582 0.600 0.600 CB 1.405 Z: 79 70.326 2.377 1.022 0.585 0.936 0.641 CB 1.632 50 residues pruned to eliminate duplicates Z: 42 48.680 2.294 0.706 0.630 1.000 0.585 CB 1.720 42 residues pruned to eliminate duplicates Z: 94 92.676 2.437 0.918 0.656 0.946 0.710 CB 1.879 94 residues pruned to eliminate duplicates Z: 10 9.352 2.060 0.385 0.489 0.778 0.444 CB 1.420 Z: 52 49.486 2.280 0.763 0.591 0.961 0.745 CB 1.644 52 residues pruned to eliminate duplicates Z: 72 66.234 2.340 0.964 0.604 0.958 0.690 CB 1.617 72 residues pruned to eliminate duplicates Z: 16 27.861 2.287 0.416 0.861 0.933 0.800 CB 1.749 16 residues pruned to eliminate duplicates Z: 32 18.420 1.655 0.617 0.701 0.935 0.645 CB 1.101 52 residues pruned to eliminate duplicates Z: 38 26.356 1.729 0.729 0.696 1.000 0.730 CB 1.212 38 residues pruned to eliminate duplicates Z: 6 3.809 1.847 0.210 0.804 1.000 0.600 CB 0.584 6 residues pruned to eliminate duplicates Z: 36 64.807 2.359 1.144 0.732 0.971 0.657 CB 1.809 36 residues pruned to eliminate duplicates Z: 38 54.042 2.428 0.792 0.675 0.919 0.676 CB 1.891 38 residues pruned to eliminate duplicates Z: 16 26.754 2.209 0.265 0.930 0.933 0.933 C 1.853 16 residues pruned to eliminate duplicates Z: 13 23.835 2.188 1.358 0.490 0.750 0.750 CB 1.796 6 residues pruned to eliminate duplicates Z: 21 37.845 2.340 0.868 0.647 1.000 0.850 CB 1.688 21 residues pruned to eliminate duplicates Z: 9 22.757 2.417 0.380 0.877 1.000 1.000 CA 1.752 9 residues pruned to eliminate duplicates Z: 90 74.614 2.375 0.992 0.586 0.899 0.640 CB 1.712 90 residues pruned to eliminate duplicates Z: 17 12.037 1.645 0.646 0.591 0.938 0.625 CB 1.086 17 residues pruned to eliminate duplicates Z: 125 104.597 2.428 1.002 0.633 0.944 0.726 CB 1.807 125 residues pruned to eliminate duplicates Z: 17 27.366 2.335 0.813 0.531 0.875 0.688 CA 1.792 23 residues pruned to eliminate duplicates Z: 15 29.849 2.399 0.324 0.892 1.000 1.000 CB 1.804 15 residues pruned to eliminate duplicates Z: 33 48.036 2.324 0.717 0.670 1.000 0.781 CB 1.818 33 residues pruned to eliminate duplicates Z: 17 29.721 2.140 0.576 0.885 1.000 0.812 CB 1.590 17 residues pruned to eliminate duplicates Z: 38 66.284 2.341 1.139 0.719 0.973 0.730 CB 1.835 39 residues pruned to eliminate duplicates Z: 26 70.512 2.405 1.394 0.956 0.920 0.800 C 1.828 26 residues pruned to eliminate duplicates Z: 64 49.747 2.295 0.745 0.535 0.937 0.698 CB 1.614 74 residues pruned to eliminate duplicates Z: 21 9.917 1.579 0.282 0.721 0.950 0.800 CB 0.944 Z: 34 67.170 2.420 1.119 0.702 0.970 0.667 CB 1.957 34 residues pruned to eliminate duplicates Z: 31 47.985 2.403 0.605 0.708 1.000 0.833 CB 1.881 31 residues pruned to eliminate duplicates Z: 21 11.222 1.564 0.361 0.717 1.000 0.750 CB 0.969 21 residues pruned to eliminate duplicates Z: 35 52.267 2.355 0.874 0.679 0.971 0.794 CB 1.775 35 residues pruned to eliminate duplicates Z: 39 58.927 2.358 0.890 0.687 0.974 0.711 CB 1.856 39 residues pruned to eliminate duplicates Z: 17 27.612 2.313 0.262 0.878 1.000 0.938 CA 1.715 17 residues pruned to eliminate duplicates Z: 16 22.749 2.078 1.276 0.541 0.867 0.800 CB 1.377 16 residues pruned to eliminate duplicates Z: 27 66.628 2.446 0.987 0.943 1.000 0.846 CB 1.864 27 residues pruned to eliminate duplicates Z: 49 42.494 2.333 0.888 0.441 0.854 0.458 CB 1.732 49 residues pruned to eliminate duplicates Z: 8 7.734 1.927 0.487 0.379 0.857 0.571 CB 1.354 8 residues pruned to eliminate duplicates Z: 32 37.706 2.295 0.533 0.644 0.935 0.806 CB 1.799 32 residues pruned to eliminate duplicates Z: 6 3.006 1.589 0.649 0.391 0.800 0.800 CB 0.720 Z: 32 50.069 2.293 0.884 0.670 1.000 0.774 CB 1.779 32 residues pruned to eliminate duplicates Z: 6 3.364 1.324 0.538 0.479 1.000 0.600 CB 0.755 Z: 10 19.502 2.448 0.258 0.687 1.000 0.667 C 1.778 10 residues pruned to eliminate duplicates Z: 13 11.354 1.735 0.829 0.502 0.833 0.500 CB 1.236 13 residues pruned to eliminate duplicates Z: 49 67.897 2.480 0.988 0.668 0.917 0.729 CB 1.856 49 residues pruned to eliminate duplicates Z: 9 8.642 1.824 0.397 0.756 0.875 0.125 C 1.091 9 residues pruned to eliminate duplicates Z: 24 77.863 2.500 1.382 0.962 1.000 0.913 C 1.865 24 residues pruned to eliminate duplicates Z: 7 11.868 1.990 0.884 0.657 0.833 0.667 CB 1.341 7 residues pruned to eliminate duplicates Z: 14 15.554 1.860 0.971 0.460 0.846 0.538 CB 1.448 14 residues pruned to eliminate duplicates Z: 93 54.460 2.323 0.760 0.520 0.859 0.641 CB 1.585 109 residues pruned to eliminate duplicates Z: 50 65.219 2.409 1.054 0.610 0.939 0.612 CB 1.808 50 residues pruned to eliminate duplicates Z: 113 88.101 2.370 0.861 0.643 0.955 0.732 CB 1.728 113 residues pruned to eliminate duplicates Z: 6 4.170 1.840 0.652 0.483 0.600 0.400 CB 1.041 6 residues pruned to eliminate duplicates Z: 63 75.946 2.365 1.131 0.653 0.919 0.645 CB 1.806 63 residues pruned to eliminate duplicates Z: 12 4.540 1.737 0.699 0.155 0.636 0.182 CB 1.114 12 residues pruned to eliminate duplicates Z: 6 2.187 1.269 0.203 0.523 0.600 0.400 C 1.044 Z: 12 23.339 2.106 0.441 0.873 1.000 0.727 CA 1.689 12 residues pruned to eliminate duplicates Z: 14 28.647 2.455 0.251 0.909 1.000 0.846 CB 1.836 14 residues pruned to eliminate duplicates Z: 136 96.009 2.372 0.942 0.585 0.941 0.711 CB 1.757 136 residues pruned to eliminate duplicates Z: 8 12.597 1.975 0.477 0.604 1.000 0.714 CA 1.479 8 residues pruned to eliminate duplicates Z: 50 53.776 2.314 0.781 0.612 0.980 0.796 CB 1.712 56 residues pruned to eliminate duplicates Z: 16 23.484 2.258 0.240 0.855 0.933 0.933 CB 1.713 16 residues pruned to eliminate duplicates Z: 9 31.170 2.440 0.738 0.915 1.000 1.000 CB 1.837 9 residues pruned to eliminate duplicates Z: 37 49.003 2.336 0.572 0.723 1.000 0.778 CB 1.818 37 residues pruned to eliminate duplicates Z: 8 2.833 1.480 -0.128 0.415 0.857 0.429 O 1.058 Z: 13 27.535 2.281 1.022 0.684 0.833 0.750 C 1.747 13 residues pruned to eliminate duplicates Z: 9 11.102 2.068 0.769 0.426 0.875 0.625 CB 1.325 9 residues pruned to eliminate duplicates Z: 35 48.707 2.242 1.014 0.674 0.912 0.765 CB 1.728 35 residues pruned to eliminate duplicates Z: 42 26.262 2.183 0.778 0.354 0.756 0.439 CB 1.637 42 residues pruned to eliminate duplicates Z: 14 11.772 1.806 0.891 0.577 0.923 0.538 CB 0.961 14 residues pruned to eliminate duplicates Z: 18 14.756 2.104 0.670 0.274 0.824 0.412 CB 1.597 18 residues pruned to eliminate duplicates Z: 33 48.370 2.478 1.008 0.541 0.875 0.438 C 1.887 33 residues pruned to eliminate duplicates Z: 17 21.865 2.196 0.126 0.882 1.000 0.875 CB 1.600 17 residues pruned to eliminate duplicates Z: 38 54.169 2.402 0.828 0.681 0.919 0.676 CB 1.869 38 residues pruned to eliminate duplicates Z: 57 66.806 2.395 1.028 0.621 0.929 0.696 CB 1.765 94 residues pruned to eliminate duplicates Z: 10 7.037 1.804 0.565 0.300 0.778 0.556 CB 1.335 10 residues pruned to eliminate duplicates Z: 35 41.896 2.431 0.903 0.499 0.853 0.500 CB 1.822 35 residues pruned to eliminate duplicates Z: 40 58.641 2.315 0.994 0.676 0.974 0.564 CB 1.776 Z: 25 31.848 2.278 0.542 0.680 0.917 0.792 CB 1.711 25 residues pruned to eliminate duplicates Z: 17 30.541 2.302 0.751 0.574 1.000 0.938 CA 1.763 17 residues pruned to eliminate duplicates Z: 32 49.656 2.324 0.849 0.668 0.968 0.710 CA 1.836 32 residues pruned to eliminate duplicates Z: 10 11.145 1.936 0.489 0.617 0.889 0.778 CB 1.298 10 residues pruned to eliminate duplicates Z: 35 33.624 2.294 0.637 0.488 0.912 0.559 CB 1.705 35 residues pruned to eliminate duplicates Z: 9 8.184 1.544 0.389 0.921 1.000 1.000 CB 0.949 9 residues pruned to eliminate duplicates Z: 74 78.016 2.378 1.039 0.627 0.973 0.726 CB 1.717 74 residues pruned to eliminate duplicates Z: 27 47.431 2.423 0.682 0.739 0.962 0.769 C 1.917 27 residues pruned to eliminate duplicates Z: 19 34.961 2.391 0.956 0.609 0.889 0.556 CB 1.788 19 residues pruned to eliminate duplicates Z: 15 8.069 1.418 0.198 0.909 1.000 1.000 CB 0.901 15 residues pruned to eliminate duplicates Z: 46 65.475 2.382 0.997 0.638 0.978 0.711 CB 1.845 46 residues pruned to eliminate duplicates Z: 11 15.103 2.317 0.508 0.559 0.700 0.600 C 1.843 11 residues pruned to eliminate duplicates Z: 10 22.557 2.275 0.651 0.814 0.889 0.778 C 1.714 10 residues pruned to eliminate duplicates Z: 50 42.595 2.348 0.809 0.522 0.857 0.592 CB 1.636 50 residues pruned to eliminate duplicates Z: 25 22.300 2.026 0.774 0.492 0.875 0.542 CB 1.458 25 residues pruned to eliminate duplicates Z: 13 21.752 2.001 1.013 0.665 1.000 0.583 CB 1.338 13 residues pruned to eliminate duplicates Z: 9 9.993 2.443 0.669 0.184 0.750 0.250 CB 1.689 9 residues pruned to eliminate duplicates Z: 7 7.112 1.714 0.284 0.594 0.833 0.667 CB 1.447 7 residues pruned to eliminate duplicates Z: 20 22.217 2.064 0.860 0.415 0.947 0.421 CB 1.531 20 residues pruned to eliminate duplicates Z: 71 64.806 2.341 0.889 0.592 0.886 0.643 CB 1.812 71 residues pruned to eliminate duplicates Z: 36 31.053 2.036 0.783 0.523 0.886 0.600 CB 1.596 36 residues pruned to eliminate duplicates Z: 11 20.490 2.019 0.777 0.707 1.000 1.000 C 1.497 11 residues pruned to eliminate duplicates Z: 16 7.333 1.397 0.147 0.905 0.933 0.867 CB 0.900 16 residues pruned to eliminate duplicates Z: 25 64.579 2.485 1.129 0.842 0.958 0.917 C 1.937 25 residues pruned to eliminate duplicates Z: 12 19.980 2.114 0.703 0.838 0.818 0.818 C 1.528 12 residues pruned to eliminate duplicates Z: 21 33.963 2.247 0.801 0.639 0.950 0.700 CA 1.734 21 residues pruned to eliminate duplicates Z: 21 24.540 2.248 0.814 0.477 0.900 0.750 CB 1.530 21 residues pruned to eliminate duplicates Z: 6 2.617 1.779 0.353 0.313 0.600 0.600 N 0.997 Z: 72 70.190 2.295 1.025 0.639 0.930 0.634 CB 1.693 72 residues pruned to eliminate duplicates Z: 16 19.037 2.159 0.695 0.452 0.933 0.600 CB 1.512 16 residues pruned to eliminate duplicates Z: 32 58.436 2.354 1.138 0.708 0.935 0.774 CB 1.844 35 residues pruned to eliminate duplicates Z: 27 60.788 2.330 1.081 0.913 0.962 0.731 CB 1.810 27 residues pruned to eliminate duplicates Z: 32 34.917 2.251 0.996 0.448 0.871 0.387 CB 1.691 32 residues pruned to eliminate duplicates Z: 26 48.764 2.489 1.053 0.644 0.920 0.600 CB 1.813 26 residues pruned to eliminate duplicates Z: 25 40.671 2.416 0.828 0.622 0.958 0.667 CB 1.747 25 residues pruned to eliminate duplicates Z: 16 45.235 2.282 0.972 0.931 1.000 0.800 CB 1.813 16 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 10 8.462 1.754 0.420 0.719 1.000 0.778 N 0.929 Z: 16 8.417 1.547 0.190 0.835 1.000 0.933 CB 0.885 16 residues pruned to eliminate duplicates Z: 23 9.964 1.514 0.250 0.690 1.000 0.727 CB 0.943 23 residues pruned to eliminate duplicates Z: 16 8.313 1.547 0.336 0.819 0.933 0.800 CB 0.844 16 residues pruned to eliminate duplicates Z: 19 8.704 1.479 0.309 0.688 0.944 0.667 CB 0.944 19 residues pruned to eliminate duplicates Z: 18 9.743 1.564 0.396 0.727 1.000 0.706 CB 0.882 18 residues pruned to eliminate duplicates Z: 25 11.159 1.492 0.396 0.664 0.958 0.667 CB 0.980 24 residues pruned to eliminate duplicates Z: 15 11.149 1.472 0.527 0.914 1.000 0.857 CB 0.938 15 residues pruned to eliminate duplicates Z: 19 8.883 1.426 0.509 0.714 0.944 0.722 CB 0.849 18 residues pruned to eliminate duplicates Z: 14 10.787 1.510 0.508 0.936 1.000 0.615 CB 0.915 14 residues pruned to eliminate duplicates Z: 20 12.700 1.634 0.513 0.724 1.000 0.737 CB 0.963 21 residues pruned to eliminate duplicates Z: 14 10.531 1.523 0.456 0.940 1.000 1.000 CB 0.915 14 residues pruned to eliminate duplicates Z: 21 12.959 1.619 0.500 0.708 1.000 0.700 CB 0.988 21 residues pruned to eliminate duplicates Z: 13 9.588 1.505 0.475 0.928 1.000 0.917 CB 0.874 13 residues pruned to eliminate duplicates Z: 21 13.069 1.602 0.513 0.735 1.000 0.750 CB 0.976 21 residues pruned to eliminate duplicates Z: 11 7.853 1.499 0.360 0.820 1.000 0.800 CB 0.923 11 residues pruned to eliminate duplicates Z: 53 54.957 2.298 0.955 0.577 0.923 0.635 CB 1.706 54 residues pruned to eliminate duplicates Z: 17 32.634 2.298 0.460 0.805 1.000 0.875 C 1.863 17 residues pruned to eliminate duplicates Z: 38 56.869 2.428 0.788 0.673 0.973 0.676 CB 1.887 38 residues pruned to eliminate duplicates Z: 34 60.170 2.434 0.885 0.697 0.970 0.727 CB 1.967 34 residues pruned to eliminate duplicates Z: 39 59.045 2.392 0.907 0.668 0.974 0.553 CB 1.846 39 residues pruned to eliminate duplicates Z: 40 59.886 2.368 0.912 0.669 0.974 0.641 CB 1.859 37 residues pruned to eliminate duplicates Z: 14 43.364 2.401 0.864 0.930 1.000 0.923 C 1.879 14 residues pruned to eliminate duplicates Z: 101 86.247 2.373 0.980 0.614 0.910 0.660 CB 1.811 101 residues pruned to eliminate duplicates Z: 37 66.950 2.465 1.066 0.677 0.972 0.583 CB 1.915 40 residues pruned to eliminate duplicates Z: 14 47.547 2.381 1.033 0.942 1.000 0.769 C 1.890 14 residues pruned to eliminate duplicates Z: 39 63.474 2.397 1.004 0.674 0.974 0.553 CB 1.875 39 residues pruned to eliminate duplicates Z: 38 66.341 2.428 1.055 0.678 0.973 0.622 CB 1.907 38 residues pruned to eliminate duplicates Z: 32 56.189 2.417 0.924 0.684 0.968 0.548 C 1.895 32 residues pruned to eliminate duplicates Z: 38 66.578 2.433 1.108 0.674 0.946 0.649 CB 1.923 38 residues pruned to eliminate duplicates Z: 42 63.133 2.318 1.105 0.630 0.951 0.585 CB 1.880 37 residues pruned to eliminate duplicates Z: 22 49.624 2.300 0.921 0.843 1.000 0.762 C 1.825 22 residues pruned to eliminate duplicates Z: 38 65.303 2.429 1.074 0.673 0.946 0.541 CB 1.921 38 residues pruned to eliminate duplicates Z: 37 73.334 2.482 1.223 0.682 0.972 0.639 CB 1.928 42 residues pruned to eliminate duplicates Z: 6 11.523 2.188 0.624 0.670 0.800 0.000 CB 1.550 6 residues pruned to eliminate duplicates Z: 39 65.649 2.376 1.089 0.672 0.974 0.737 CB 1.880 39 residues pruned to eliminate duplicates Z: 38 66.274 2.432 1.166 0.650 0.946 0.703 CB 1.902 38 residues pruned to eliminate duplicates Z: 81 58.679 2.334 0.911 0.483 0.913 0.550 CB 1.640 80 residues pruned to eliminate duplicates Z: 6 11.618 1.947 1.421 0.378 1.000 0.600 C 1.255 6 residues pruned to eliminate duplicates Z: 40 60.983 2.359 1.063 0.668 0.949 0.718 CB 1.811 40 residues pruned to eliminate duplicates Z: 38 74.138 2.421 1.156 0.709 1.000 0.703 CB 1.931 38 residues pruned to eliminate duplicates Z: 38 64.837 2.427 1.091 0.641 0.973 0.568 CB 1.892 38 residues pruned to eliminate duplicates Z: 42 58.573 2.323 1.019 0.620 0.951 0.634 CB 1.831 42 residues pruned to eliminate duplicates Z: 38 66.350 2.436 1.084 0.670 0.946 0.595 CB 1.942 38 residues pruned to eliminate duplicates Z: 39 63.000 2.377 1.048 0.662 0.974 0.684 CB 1.856 39 residues pruned to eliminate duplicates Z: 39 62.716 2.392 1.088 0.639 0.974 0.579 CB 1.837 39 residues pruned to eliminate duplicates Z: 38 62.796 2.421 1.078 0.622 0.973 0.676 CB 1.879 38 residues pruned to eliminate duplicates Z: 36 75.076 2.506 1.162 0.677 1.000 0.657 CB 1.991 37 residues pruned to eliminate duplicates Z: 6 5.820 1.697 0.878 0.361 1.000 0.600 CA 0.948 6 residues pruned to eliminate duplicates Z: 11 22.181 2.235 1.174 0.556 0.800 0.700 CB 1.708 11 residues pruned to eliminate duplicates Z: 14 13.968 2.046 0.813 0.435 0.769 0.538 CB 1.452 14 residues pruned to eliminate duplicates Z: 13 25.015 2.410 1.120 0.503 0.833 0.833 CB 1.690 13 residues pruned to eliminate duplicates Z: 84 63.882 2.405 0.777 0.521 0.928 0.651 CB 1.733 84 residues pruned to eliminate duplicates Z: 97 63.661 2.367 0.793 0.498 0.917 0.604 CB 1.674 97 residues pruned to eliminate duplicates Z: 77 62.080 2.335 0.884 0.583 0.908 0.671 CB 1.646 77 residues pruned to eliminate duplicates Z: 11 12.224 2.057 1.202 0.394 0.800 0.500 CB 1.194 11 residues pruned to eliminate duplicates Z: 34 22.701 2.170 0.702 0.358 0.879 0.545 CB 1.419 34 residues pruned to eliminate duplicates Z: 15 15.730 2.035 1.010 0.438 0.929 0.357 CB 1.180 15 residues pruned to eliminate duplicates Z: 79 62.182 2.372 0.893 0.520 0.897 0.641 CB 1.713 79 residues pruned to eliminate duplicates Z: 30 29.863 2.318 0.812 0.418 0.862 0.552 CB 1.668 30 residues pruned to eliminate duplicates Z: 84 64.753 2.346 0.932 0.582 0.904 0.639 CB 1.604 84 residues pruned to eliminate duplicates Z: 62 56.734 2.404 0.874 0.557 0.885 0.672 CB 1.723 62 residues pruned to eliminate duplicates Z: 76 63.958 2.377 0.845 0.601 0.933 0.733 CB 1.638 76 residues pruned to eliminate duplicates Z: 21 11.234 1.924 0.522 0.315 0.800 0.500 CB 1.315 21 residues pruned to eliminate duplicates Z: 21 17.350 2.109 0.841 0.357 0.800 0.500 CB 1.457 21 residues pruned to eliminate duplicates Z: 65 60.767 2.393 0.869 0.574 0.922 0.672 CB 1.716 65 residues pruned to eliminate duplicates Z: 83 56.104 2.312 0.843 0.532 0.854 0.659 CB 1.651 83 residues pruned to eliminate duplicates Z: 28 28.310 2.209 0.888 0.452 0.852 0.593 CB 1.611 28 residues pruned to eliminate duplicates Z: 87 61.792 2.328 0.858 0.525 0.907 0.640 CB 1.656 87 residues pruned to eliminate duplicates Z: 63 64.541 2.433 0.847 0.603 0.952 0.645 CB 1.738 63 residues pruned to eliminate duplicates Z: 27 28.333 2.302 0.978 0.438 0.846 0.654 CB 1.537 27 residues pruned to eliminate duplicates Z: 49 41.076 2.243 1.013 0.467 0.875 0.583 CB 1.552 49 residues pruned to eliminate duplicates Z: 72 64.371 2.378 0.989 0.591 0.901 0.648 CB 1.642 72 residues pruned to eliminate duplicates Z: 65 68.434 2.417 0.954 0.610 0.922 0.719 CB 1.770 65 residues pruned to eliminate duplicates Z: 73 63.863 2.406 0.871 0.583 0.889 0.694 CB 1.738 73 residues pruned to eliminate duplicates Z: 31 24.516 2.258 0.725 0.416 0.800 0.533 CB 1.569 31 residues pruned to eliminate duplicates Z: 67 65.495 2.373 0.799 0.629 0.970 0.727 CB 1.725 67 residues pruned to eliminate duplicates Z: 78 72.443 2.409 0.930 0.585 0.948 0.688 CB 1.727 78 residues pruned to eliminate duplicates Z: 72 65.890 2.412 0.871 0.580 0.930 0.676 CB 1.725 72 residues pruned to eliminate duplicates Z: 32 25.361 2.252 0.721 0.376 0.871 0.484 CB 1.541 32 residues pruned to eliminate duplicates Z: 73 67.236 2.388 0.919 0.608 0.903 0.722 CB 1.729 73 residues pruned to eliminate duplicates Z: 32 22.949 2.228 0.802 0.352 0.806 0.452 CB 1.494 32 residues pruned to eliminate duplicates Z: 47 59.298 2.441 0.823 0.689 0.935 0.739 CB 1.768 47 residues pruned to eliminate duplicates Z: 12 6.049 2.091 0.207 0.306 0.727 0.182 CB 1.233 12 residues pruned to eliminate duplicates Z: 39 26.314 2.190 0.777 0.380 0.842 0.526 CB 1.479 39 residues pruned to eliminate duplicates Z: 33 23.571 2.198 0.654 0.434 0.812 0.469 CB 1.512 33 residues pruned to eliminate duplicates Z: 31 58.179 2.401 0.821 0.847 1.000 0.800 CB 1.804 31 residues pruned to eliminate duplicates Z: 76 57.826 2.290 0.874 0.565 0.893 0.627 CB 1.635 76 residues pruned to eliminate duplicates Z: 49 57.551 2.439 0.943 0.609 0.896 0.688 CB 1.765 49 residues pruned to eliminate duplicates Z: 73 65.481 2.318 0.913 0.605 0.958 0.681 CB 1.642 73 residues pruned to eliminate duplicates Z: 65 61.497 2.369 0.807 0.647 0.922 0.609 CB 1.698 65 residues pruned to eliminate duplicates Z: 41 64.082 2.513 0.851 0.742 0.950 0.775 CB 1.847 41 residues pruned to eliminate duplicates Z: 73 63.347 2.365 0.795 0.589 0.931 0.639 CB 1.735 73 residues pruned to eliminate duplicates Z: 43 64.377 2.420 0.915 0.758 0.976 0.786 CB 1.745 43 residues pruned to eliminate duplicates Z: 114 90.191 2.381 1.003 0.579 0.920 0.637 CB 1.792 114 residues pruned to eliminate duplicates Z: 46 58.824 2.409 0.934 0.682 0.911 0.711 CB 1.748 46 residues pruned to eliminate duplicates Z: 49 64.616 2.452 0.842 0.676 0.958 0.792 CB 1.832 49 residues pruned to eliminate duplicates Z: 75 67.776 2.372 0.929 0.605 0.932 0.676 CB 1.671 75 residues pruned to eliminate duplicates Z: 68 63.290 2.346 0.978 0.585 0.896 0.642 CB 1.716 68 residues pruned to eliminate duplicates Z: 83 72.513 2.382 0.824 0.655 0.890 0.659 CB 1.793 83 residues pruned to eliminate duplicates Z: 26 42.761 2.345 1.008 0.673 0.920 0.720 CB 1.683 26 residues pruned to eliminate duplicates Z: 61 71.554 2.406 1.044 0.627 0.933 0.667 CB 1.785 61 residues pruned to eliminate duplicates Z: 104 92.040 2.356 1.067 0.637 0.961 0.670 CB 1.704 104 residues pruned to eliminate duplicates Z: 50 70.192 2.380 1.134 0.716 0.959 0.796 CB 1.692 50 residues pruned to eliminate duplicates Z: 104 83.246 2.345 0.960 0.625 0.932 0.612 CB 1.702 104 residues pruned to eliminate duplicates Z: 72 71.362 2.412 1.052 0.594 0.887 0.746 CB 1.764 72 residues pruned to eliminate duplicates Z: 42 74.246 2.481 0.979 0.764 1.000 0.854 CB 1.868 42 residues pruned to eliminate duplicates Z: 43 72.269 2.483 1.059 0.731 0.952 0.810 CB 1.861 43 residues pruned to eliminate duplicates Z: 50 75.928 2.430 1.154 0.688 0.939 0.837 CB 1.858 50 residues pruned to eliminate duplicates Z: 64 66.253 2.367 0.912 0.626 0.968 0.714 CB 1.692 64 residues pruned to eliminate duplicates Z: 76 70.941 2.378 1.008 0.558 0.920 0.640 CB 1.763 76 residues pruned to eliminate duplicates Z: 46 62.471 2.414 1.060 0.661 0.933 0.667 CB 1.728 46 residues pruned to eliminate duplicates Z: 50 72.837 2.452 1.134 0.682 0.918 0.776 CB 1.833 50 residues pruned to eliminate duplicates Z: 14 23.015 2.284 0.834 0.575 0.923 0.769 CB 1.535 14 residues pruned to eliminate duplicates Z: 87 71.039 2.386 1.015 0.544 0.895 0.651 CB 1.704 87 residues pruned to eliminate duplicates Z: 49 69.519 2.490 0.987 0.682 0.938 0.708 CB 1.830 49 residues pruned to eliminate duplicates Z: 51 65.221 2.409 0.998 0.652 0.920 0.660 CB 1.809 51 residues pruned to eliminate duplicates Z: 64 65.521 2.403 0.963 0.628 0.905 0.683 CB 1.715 64 residues pruned to eliminate duplicates Z: 55 51.925 2.383 0.949 0.609 0.852 0.667 CB 1.611 55 residues pruned to eliminate duplicates Z: 66 71.646 2.390 1.014 0.622 0.938 0.631 CB 1.754 66 residues pruned to eliminate duplicates Z: 79 69.503 2.386 1.018 0.585 0.910 0.654 CB 1.655 79 residues pruned to eliminate duplicates Z: 54 68.478 2.437 1.105 0.630 0.925 0.623 CB 1.755 54 residues pruned to eliminate duplicates Z: 22 29.690 2.312 1.185 0.477 0.857 0.667 CB 1.531 22 residues pruned to eliminate duplicates Z: 20 18.509 1.852 0.875 0.522 0.947 0.579 CB 1.263 42 residues pruned to eliminate duplicates Z: 17 20.588 1.949 0.897 0.618 0.938 0.688 CB 1.329 17 residues pruned to eliminate duplicates Z: 33 22.467 1.733 0.738 0.656 0.969 0.688 CB 1.178 33 residues pruned to eliminate duplicates Z: 11 15.213 2.047 0.986 0.445 0.800 0.400 C 1.566 11 residues pruned to eliminate duplicates Z: 39 22.689 1.664 0.750 0.643 0.974 0.684 CB 1.136 39 residues pruned to eliminate duplicates Z: 47 31.541 1.937 0.829 0.598 0.935 0.696 CB 1.279 47 residues pruned to eliminate duplicates Z: 178 92.909 2.252 0.875 0.582 0.944 0.638 CB 1.621 178 residues pruned to eliminate duplicates Z: 10 26.920 2.536 1.383 0.554 0.778 0.778 CB 1.812 10 residues pruned to eliminate duplicates Z: 12 29.352 2.244 1.225 0.631 0.909 0.727 CB 1.724 12 residues pruned to eliminate duplicates Z: 47 35.097 2.198 0.872 0.395 0.848 0.478 CB 1.658 47 residues pruned to eliminate duplicates Z: 41 38.277 2.307 0.862 0.418 0.925 0.500 CB 1.660 41 residues pruned to eliminate duplicates Z: 16 17.412 2.221 0.961 0.419 0.733 0.467 CB 1.532 16 residues pruned to eliminate duplicates Z: 11 33.600 2.274 1.443 0.580 1.000 0.600 C 1.771 11 residues pruned to eliminate duplicates Z: 15 21.440 2.273 1.142 0.375 0.786 0.500 CB 1.713 15 residues pruned to eliminate duplicates Z: 20 19.967 2.074 0.783 0.422 0.895 0.632 CB 1.503 20 residues pruned to eliminate duplicates Z: 16 19.297 2.276 0.950 0.406 0.800 0.533 CB 1.549 16 residues pruned to eliminate duplicates Z: 33 25.030 2.140 0.587 0.411 0.906 0.500 CB 1.578 33 residues pruned to eliminate duplicates Z: 33 27.532 2.158 0.829 0.406 0.875 0.406 CB 1.555 33 residues pruned to eliminate duplicates Z: 109 79.105 2.381 0.982 0.528 0.917 0.657 CB 1.712 109 residues pruned to eliminate duplicates Z: 19 18.742 2.102 0.886 0.343 0.833 0.389 CB 1.587 19 residues pruned to eliminate duplicates Z: 41 36.964 2.298 0.913 0.398 0.900 0.500 CB 1.645 41 residues pruned to eliminate duplicates Z: 99 64.308 2.269 0.839 0.533 0.918 0.582 CB 1.640 99 residues pruned to eliminate duplicates Z: 68 58.265 2.329 0.903 0.568 0.881 0.657 CB 1.707 68 residues pruned to eliminate duplicates Z: 21 13.088 1.988 0.760 0.295 0.750 0.350 CB 1.402 21 residues pruned to eliminate duplicates Z: 32 26.019 2.173 0.686 0.397 0.903 0.516 CB 1.574 32 residues pruned to eliminate duplicates Z: 34 29.386 2.219 0.640 0.451 0.909 0.576 CB 1.627 34 residues pruned to eliminate duplicates Z: 35 24.209 2.220 0.774 0.358 0.824 0.353 CB 1.493 35 residues pruned to eliminate duplicates Z: 145 94.730 2.394 0.828 0.575 0.958 0.674 CB 1.751 145 residues pruned to eliminate duplicates Z: 103 79.115 2.362 0.990 0.548 0.951 0.706 CB 1.672 103 residues pruned to eliminate duplicates Z: 21 29.612 2.386 0.913 0.356 0.900 0.400 C 1.883 21 residues pruned to eliminate duplicates Z: 95 66.361 2.322 0.956 0.552 0.851 0.660 CB 1.682 95 residues pruned to eliminate duplicates Z: 36 25.377 2.159 0.709 0.391 0.829 0.629 CB 1.576 36 residues pruned to eliminate duplicates Z: 60 74.710 2.423 1.085 0.640 0.932 0.746 CB 1.813 60 residues pruned to eliminate duplicates Z: 67 69.502 2.418 0.987 0.599 0.894 0.712 CB 1.813 67 residues pruned to eliminate duplicates Z: 14 13.755 2.344 0.668 0.189 0.846 0.077 C 1.672 14 residues pruned to eliminate duplicates Z: 89 78.091 2.441 0.879 0.603 0.932 0.693 CB 1.766 89 residues pruned to eliminate duplicates Z: 89 83.201 2.433 1.002 0.589 0.943 0.670 CB 1.774 89 residues pruned to eliminate duplicates Z: 22 27.941 2.308 0.931 0.414 0.857 0.476 CB 1.746 22 residues pruned to eliminate duplicates Z: 20 36.063 2.462 0.946 0.479 0.895 0.474 CB 1.972 20 residues pruned to eliminate duplicates Z: 14 10.692 2.323 0.801 0.177 0.615 0.154 C 1.702 14 residues pruned to eliminate duplicates Z: 15 10.237 2.260 0.903 0.172 0.571 0.143 C 1.657 15 residues pruned to eliminate duplicates Z: 127 90.065 2.391 0.815 0.597 0.960 0.690 CB 1.754 127 residues pruned to eliminate duplicates Z: 60 72.915 2.456 0.963 0.655 0.915 0.661 CB 1.862 60 residues pruned to eliminate duplicates Z: 21 25.270 2.295 0.871 0.398 0.850 0.450 CB 1.723 21 residues pruned to eliminate duplicates Z: 89 84.159 2.413 1.056 0.598 0.932 0.693 CB 1.768 89 residues pruned to eliminate duplicates Z: 108 84.344 2.411 0.798 0.627 0.944 0.748 CB 1.769 108 residues pruned to eliminate duplicates Z: 129 93.257 2.396 0.863 0.605 0.953 0.695 CB 1.753 129 residues pruned to eliminate duplicates Z: 130 96.731 2.386 0.926 0.603 0.938 0.690 CB 1.792 130 residues pruned to eliminate duplicates Z: 97 69.058 2.353 0.862 0.549 0.917 0.594 CB 1.673 97 residues pruned to eliminate duplicates Z: 125 99.914 2.425 0.865 0.623 0.976 0.710 CB 1.810 125 residues pruned to eliminate duplicates Z: 43 62.863 2.382 1.021 0.730 0.952 0.810 CB 1.720 43 residues pruned to eliminate duplicates Z: 126 94.582 2.411 0.889 0.607 0.944 0.736 CB 1.778 126 residues pruned to eliminate duplicates Z: 62 62.802 2.380 0.933 0.618 0.869 0.623 CB 1.798 62 residues pruned to eliminate duplicates Z: 66 72.901 2.351 1.024 0.627 0.954 0.662 CB 1.768 66 residues pruned to eliminate duplicates Z: 125 93.351 2.425 0.868 0.611 0.935 0.685 CB 1.781 125 residues pruned to eliminate duplicates Z: 60 69.275 2.390 1.072 0.616 0.915 0.661 CB 1.784 60 residues pruned to eliminate duplicates Z: 106 89.194 2.405 0.840 0.657 0.962 0.743 CB 1.767 106 residues pruned to eliminate duplicates Z: 125 102.482 2.426 0.952 0.615 0.960 0.694 CB 1.815 125 residues pruned to eliminate duplicates Z: 145 92.460 2.392 0.908 0.576 0.910 0.653 CB 1.725 145 residues pruned to eliminate duplicates Z: 124 100.750 2.412 0.932 0.635 0.959 0.764 CB 1.790 124 residues pruned to eliminate duplicates Z: 106 93.887 2.401 0.909 0.673 0.962 0.790 CB 1.772 106 residues pruned to eliminate duplicates Z: 87 90.342 2.459 1.094 0.594 0.953 0.721 CB 1.813 87 residues pruned to eliminate duplicates Z: 71 61.368 2.305 0.992 0.596 0.871 0.571 CB 1.673 71 residues pruned to eliminate duplicates Z: 107 96.942 2.391 0.944 0.649 0.991 0.717 CB 1.780 107 residues pruned to eliminate duplicates Z: 52 56.424 2.200 1.024 0.626 0.941 0.627 CB 1.676 52 residues pruned to eliminate duplicates Z: 106 93.599 2.457 0.963 0.627 0.924 0.648 CB 1.820 106 residues pruned to eliminate duplicates Z: 167 105.644 2.382 0.860 0.616 0.952 0.687 CB 1.743 167 residues pruned to eliminate duplicates Z: 123 102.115 2.448 0.989 0.618 0.934 0.697 CB 1.818 123 residues pruned to eliminate duplicates Z: 145 96.294 2.382 0.918 0.572 0.931 0.646 CB 1.760 145 residues pruned to eliminate duplicates Z: 107 94.123 2.393 1.013 0.654 0.934 0.755 CB 1.761 107 residues pruned to eliminate duplicates Z: 124 99.895 2.449 0.946 0.624 0.927 0.675 CB 1.815 124 residues pruned to eliminate duplicates Z: 54 74.449 2.381 1.149 0.689 1.000 0.717 CB 1.681 54 residues pruned to eliminate duplicates Z: 44 86.361 2.493 1.243 0.787 0.953 0.860 CB 1.920 44 residues pruned to eliminate duplicates Z: 105 101.410 2.426 0.966 0.683 0.981 0.740 CB 1.797 105 residues pruned to eliminate duplicates Z: 106 89.997 2.378 0.972 0.615 0.962 0.676 CB 1.747 106 residues pruned to eliminate duplicates Z: 89 88.653 2.403 1.060 0.610 0.966 0.659 CB 1.780 89 residues pruned to eliminate duplicates Z: 60 78.599 2.440 1.244 0.657 0.915 0.644 CB 1.764 60 residues pruned to eliminate duplicates Z: 91 72.447 2.342 1.027 0.583 0.911 0.589 CB 1.630 91 residues pruned to eliminate duplicates Z: 125 104.542 2.441 0.974 0.635 0.952 0.694 CB 1.804 125 residues pruned to eliminate duplicates Z: 107 97.195 2.384 0.965 0.661 0.981 0.755 CB 1.770 107 residues pruned to eliminate duplicates Z: 141 92.337 2.367 0.908 0.587 0.921 0.664 CB 1.726 141 residues pruned to eliminate duplicates Z: 125 99.442 2.415 0.990 0.613 0.935 0.685 CB 1.785 125 residues pruned to eliminate duplicates Z: 110 94.629 2.391 0.927 0.656 0.972 0.734 CB 1.750 110 residues pruned to eliminate duplicates Z: 126 98.306 2.418 0.903 0.627 0.952 0.688 CB 1.782 126 residues pruned to eliminate duplicates Z: 73 73.093 2.384 0.828 0.628 1.000 0.681 CB 1.752 73 residues pruned to eliminate duplicates Z: 124 98.596 2.420 0.936 0.626 0.935 0.675 CB 1.802 124 residues pruned to eliminate duplicates Z: 107 99.288 2.404 0.966 0.662 0.991 0.745 CB 1.772 107 residues pruned to eliminate duplicates Z: 125 100.619 2.432 0.955 0.632 0.944 0.726 CB 1.779 125 residues pruned to eliminate duplicates Z: 132 98.067 2.380 0.931 0.605 0.954 0.664 CB 1.768 132 residues pruned to eliminate duplicates Z: 125 102.479 2.434 0.931 0.626 0.960 0.734 CB 1.812 125 residues pruned to eliminate duplicates Z: 100 72.190 2.354 0.969 0.549 0.879 0.616 CB 1.698 100 residues pruned to eliminate duplicates Z: 106 91.760 2.413 0.929 0.620 0.962 0.714 CB 1.787 106 residues pruned to eliminate duplicates Z: 126 105.600 2.432 0.996 0.624 0.952 0.736 CB 1.819 126 residues pruned to eliminate duplicates Z: 126 98.757 2.413 0.923 0.623 0.960 0.688 CB 1.766 126 residues pruned to eliminate duplicates Z: 124 101.772 2.436 0.963 0.622 0.951 0.707 CB 1.798 124 residues pruned to eliminate duplicates Z: 61 55.581 2.324 0.733 0.583 0.933 0.767 CB 1.763 61 residues pruned to eliminate duplicates Z: 107 91.755 2.429 0.984 0.615 0.934 0.660 CB 1.776 107 residues pruned to eliminate duplicates Z: 72 85.576 2.427 1.174 0.628 0.972 0.789 CB 1.756 72 residues pruned to eliminate duplicates Z: 105 94.934 2.418 0.937 0.670 0.962 0.750 CB 1.767 105 residues pruned to eliminate duplicates Z: 110 93.814 2.386 0.930 0.656 0.954 0.771 CB 1.769 110 residues pruned to eliminate duplicates Z: 26 25.192 2.115 0.715 0.406 0.920 0.520 CB 1.667 26 residues pruned to eliminate duplicates Z: 106 92.483 2.403 0.891 0.612 0.981 0.695 CB 1.821 106 residues pruned to eliminate duplicates Z: 107 93.692 2.408 0.938 0.661 0.943 0.736 CB 1.780 107 residues pruned to eliminate duplicates Z: 105 92.857 2.422 0.905 0.632 0.962 0.769 CB 1.813 105 residues pruned to eliminate duplicates Z: 107 99.542 2.404 0.973 0.660 0.991 0.708 CB 1.774 107 residues pruned to eliminate duplicates Z: 71 76.007 2.355 1.092 0.628 0.957 0.729 CB 1.708 71 residues pruned to eliminate duplicates Z: 126 102.485 2.423 0.966 0.616 0.960 0.680 CB 1.796 126 residues pruned to eliminate duplicates Z: 58 56.684 2.381 0.663 0.593 0.965 0.719 CB 1.797 58 residues pruned to eliminate duplicates Z: 125 104.355 2.429 0.970 0.633 0.968 0.726 CB 1.785 125 residues pruned to eliminate duplicates Z: 125 106.896 2.436 0.970 0.625 0.976 0.677 CB 1.822 125 residues pruned to eliminate duplicates Z: 168 118.066 2.420 0.960 0.630 0.952 0.701 CB 1.790 168 residues pruned to eliminate duplicates Z: 107 101.380 2.403 0.958 0.681 0.991 0.783 CB 1.789 107 residues pruned to eliminate duplicates Z: 58 58.149 2.349 0.741 0.585 0.982 0.737 CB 1.766 58 residues pruned to eliminate duplicates Z: 42 46.603 2.364 0.596 0.638 0.951 0.707 CB 1.782 42 residues pruned to eliminate duplicates Z: 127 88.130 2.341 0.864 0.623 0.944 0.706 CB 1.698 127 residues pruned to eliminate duplicates Z: 40 54.384 2.428 0.678 0.675 0.974 0.846 CB 1.868 40 residues pruned to eliminate duplicates Z: 146 93.018 2.374 0.870 0.562 0.945 0.641 CB 1.734 146 residues pruned to eliminate duplicates Z: 131 93.205 2.393 0.896 0.602 0.923 0.723 CB 1.771 131 residues pruned to eliminate duplicates Z: 81 68.984 2.360 0.657 0.630 0.963 0.738 CB 1.813 81 residues pruned to eliminate duplicates Z: 41 40.494 2.304 0.620 0.617 0.875 0.750 CB 1.755 41 residues pruned to eliminate duplicates Z: 42 51.538 2.377 0.676 0.653 0.927 0.780 CB 1.891 42 residues pruned to eliminate duplicates Z: 43 44.778 2.291 0.625 0.623 0.976 0.714 CB 1.694 43 residues pruned to eliminate duplicates Z: 42 49.485 2.357 0.611 0.658 0.976 0.683 CB 1.801 42 residues pruned to eliminate duplicates Z: 125 97.904 2.423 0.889 0.628 0.960 0.694 CB 1.774 125 residues pruned to eliminate duplicates Z: 127 99.024 2.390 0.954 0.626 0.944 0.698 CB 1.776 127 residues pruned to eliminate duplicates Z: 41 52.599 2.359 0.678 0.674 1.000 0.800 CB 1.789 41 residues pruned to eliminate duplicates Z: 110 94.336 2.371 0.977 0.643 0.972 0.780 CB 1.733 110 residues pruned to eliminate duplicates Z: 127 104.725 2.403 0.974 0.636 0.976 0.722 CB 1.773 127 residues pruned to eliminate duplicates Z: 61 55.681 2.320 0.670 0.584 0.983 0.700 CB 1.740 61 residues pruned to eliminate duplicates Z: 42 54.800 2.361 0.798 0.657 0.951 0.732 CB 1.832 42 residues pruned to eliminate duplicates Z: 45 54.793 2.326 0.737 0.643 0.977 0.750 CB 1.830 45 residues pruned to eliminate duplicates Z: 124 104.726 2.433 1.006 0.645 0.943 0.789 CB 1.792 124 residues pruned to eliminate duplicates Z: 88 76.350 2.328 0.966 0.621 0.931 0.678 CB 1.713 88 residues pruned to eliminate duplicates Z: 110 93.271 2.378 0.944 0.647 0.954 0.725 CB 1.766 110 residues pruned to eliminate duplicates Z: 41 47.496 2.381 0.593 0.656 0.950 0.750 CB 1.803 41 residues pruned to eliminate duplicates Z: 46 45.913 2.245 0.668 0.612 0.956 0.644 CB 1.721 46 residues pruned to eliminate duplicates Z: 124 106.028 2.447 0.972 0.638 0.959 0.724 CB 1.814 124 residues pruned to eliminate duplicates Z: 42 50.059 2.352 0.634 0.664 1.000 0.805 CB 1.747 42 residues pruned to eliminate duplicates Z: 60 53.535 2.327 0.663 0.585 0.949 0.712 CB 1.748 60 residues pruned to eliminate duplicates Z: 102 84.482 2.356 0.924 0.635 0.931 0.693 CB 1.756 102 residues pruned to eliminate duplicates Z: 107 103.181 2.407 1.009 0.673 0.991 0.698 CB 1.783 107 residues pruned to eliminate duplicates Z: 42 50.693 2.340 0.664 0.667 0.976 0.756 CB 1.786 42 residues pruned to eliminate duplicates Z: 42 51.179 2.311 0.705 0.668 1.000 0.756 CB 1.736 42 residues pruned to eliminate duplicates Z: 124 99.009 2.418 0.994 0.617 0.935 0.756 CB 1.774 124 residues pruned to eliminate duplicates Z: 105 90.379 2.405 0.873 0.625 0.971 0.731 CB 1.800 105 residues pruned to eliminate duplicates Z: 44 55.202 2.384 0.686 0.691 0.977 0.860 CB 1.800 44 residues pruned to eliminate duplicates Z: 42 52.388 2.331 0.715 0.663 1.000 0.780 CB 1.759 42 residues pruned to eliminate duplicates Z: 42 53.752 2.341 0.739 0.676 1.000 0.732 CB 1.753 42 residues pruned to eliminate duplicates Z: 42 48.988 2.305 0.673 0.660 0.976 0.805 CB 1.752 42 residues pruned to eliminate duplicates Z: 42 51.254 2.348 0.684 0.664 0.951 0.707 CB 1.828 42 residues pruned to eliminate duplicates Z: 84 67.165 2.338 0.651 0.635 0.976 0.819 CB 1.725 84 residues pruned to eliminate duplicates Z: 116 90.216 2.381 0.904 0.598 0.957 0.748 CB 1.766 116 residues pruned to eliminate duplicates Z: 15 16.342 1.954 0.982 0.481 0.929 0.786 CB 1.238 15 residues pruned to eliminate duplicates Z: 42 47.128 2.333 0.702 0.630 0.951 0.732 CB 1.725 42 residues pruned to eliminate duplicates Z: 82 70.135 2.342 0.752 0.626 0.963 0.778 CB 1.752 82 residues pruned to eliminate duplicates Z: 56 50.161 2.238 0.630 0.611 0.982 0.800 CB 1.699 56 residues pruned to eliminate duplicates Z: 88 63.202 2.263 0.817 0.534 0.966 0.724 CB 1.650 88 residues pruned to eliminate duplicates Z: 82 70.711 2.358 0.724 0.628 0.951 0.741 CB 1.802 82 residues pruned to eliminate duplicates Z: 41 53.766 2.369 0.852 0.621 0.975 0.650 CB 1.772 41 residues pruned to eliminate duplicates Z: 44 50.213 2.298 0.810 0.629 0.977 0.767 CB 1.669 44 residues pruned to eliminate duplicates Z: 50 54.770 2.359 0.824 0.618 0.959 0.714 CB 1.696 50 residues pruned to eliminate duplicates Z: 92 68.003 2.325 0.701 0.603 0.967 0.692 CB 1.690 92 residues pruned to eliminate duplicates Z: 46 52.430 2.282 0.890 0.602 0.978 0.711 CB 1.682 46 residues pruned to eliminate duplicates Z: 43 50.887 2.296 0.893 0.611 0.952 0.786 CB 1.709 43 residues pruned to eliminate duplicates Z: 43 57.514 2.357 0.851 0.652 0.976 0.786 CB 1.809 43 residues pruned to eliminate duplicates Z: 43 53.811 2.332 0.935 0.615 0.952 0.762 CB 1.733 43 residues pruned to eliminate duplicates Z: 37 56.688 2.357 0.968 0.693 0.944 0.750 CB 1.808 37 residues pruned to eliminate duplicates Z: 36 55.284 2.371 0.894 0.695 0.971 0.743 CB 1.793 36 residues pruned to eliminate duplicates Z: 83 69.264 2.341 0.751 0.623 0.963 0.793 CB 1.724 83 residues pruned to eliminate duplicates Z: 50 53.982 2.350 0.796 0.615 0.959 0.776 CB 1.708 50 residues pruned to eliminate duplicates Z: 42 47.921 2.314 0.785 0.593 0.951 0.780 CB 1.743 42 residues pruned to eliminate duplicates Z: 60 47.544 2.277 0.707 0.553 0.949 0.678 CB 1.594 60 residues pruned to eliminate duplicates Z: 52 56.611 2.308 0.784 0.625 1.000 0.706 CB 1.712 52 residues pruned to eliminate duplicates Z: 82 73.870 2.339 0.795 0.630 0.963 0.815 CB 1.796 82 residues pruned to eliminate duplicates Z: 43 63.693 2.356 0.983 0.670 0.976 0.786 CB 1.843 43 residues pruned to eliminate duplicates Z: 39 58.915 2.383 1.011 0.622 0.947 0.711 CB 1.877 39 residues pruned to eliminate duplicates Z: 51 57.790 2.340 0.865 0.626 0.980 0.760 CB 1.698 51 residues pruned to eliminate duplicates Z: 49 61.507 2.353 0.954 0.625 0.979 0.729 CB 1.754 49 residues pruned to eliminate duplicates Z: 44 50.755 2.339 0.779 0.631 0.953 0.721 CB 1.725 44 residues pruned to eliminate duplicates Z: 37 53.970 2.354 0.922 0.657 0.972 0.806 CB 1.768 37 residues pruned to eliminate duplicates Z: 43 56.100 2.312 0.996 0.641 0.976 0.810 CB 1.684 43 residues pruned to eliminate duplicates Z: 42 58.529 2.360 0.924 0.637 0.976 0.780 CB 1.815 42 residues pruned to eliminate duplicates Z: 48 62.236 2.363 0.986 0.664 0.979 0.809 CB 1.698 48 residues pruned to eliminate duplicates Z: 42 51.324 2.333 0.890 0.630 0.951 0.732 CB 1.691 42 residues pruned to eliminate duplicates Z: 50 54.490 2.350 0.926 0.638 0.918 0.735 CB 1.646 50 residues pruned to eliminate duplicates Z: 37 52.229 2.318 0.905 0.698 0.944 0.778 CB 1.741 37 residues pruned to eliminate duplicates Z: 37 54.269 2.292 0.963 0.702 0.972 0.833 CB 1.720 37 residues pruned to eliminate duplicates Z: 42 59.098 2.327 1.016 0.660 0.951 0.829 CB 1.783 42 residues pruned to eliminate duplicates Z: 51 54.661 2.345 0.743 0.632 0.980 0.780 CB 1.703 51 residues pruned to eliminate duplicates Z: 40 49.720 2.248 0.916 0.655 0.974 0.744 CB 1.643 40 residues pruned to eliminate duplicates Z: 45 49.145 2.255 0.908 0.618 0.909 0.818 CB 1.695 45 residues pruned to eliminate duplicates Z: 43 52.099 2.298 0.846 0.647 0.952 0.762 CB 1.735 43 residues pruned to eliminate duplicates 312 residues left after pruning, divided into chains as follows: A: 5 B: 307 CC for partial structure against native data = 44.23 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.494, Connect. = 0.759 for dens.mod. cycle 1 = 0.300, Contrast = 0.560, Connect. = 0.786 for dens.mod. cycle 2 = 0.300, Contrast = 0.665, Connect. = 0.815 for dens.mod. cycle 3 = 0.300, Contrast = 0.667, Connect. = 0.819 for dens.mod. cycle 4 = 0.300, Contrast = 0.675, Connect. = 0.821 for dens.mod. cycle 5 = 0.300, Contrast = 0.676, Connect. = 0.823 for dens.mod. cycle 6 = 0.300, Contrast = 0.679, Connect. = 0.825 for dens.mod. cycle 7 = 0.300, Contrast = 0.679, Connect. = 0.826 for dens.mod. cycle 8 = 0.300, Contrast = 0.680, Connect. = 0.827 for dens.mod. cycle 9 = 0.300, Contrast = 0.679, Connect. = 0.827 for dens.mod. cycle 10 TimeTaking 324.58