*HEADER HYDROLASE INHIBITOR 13-JAN-09 SMS20064 *TITLE DESIGN, SYNTHESIS, BIOLOGICAL EVALUATION, AND STRUCTURAL *TITLE 2 CHARACTERIZATION OF POTENT HISTONE DEACETYLASE INHIBITORS BASED ON *TITLE 3 CYCLIC ALPHA/BETA-TETRAPEPTIDE ARCHITECTURES *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: CYCLO[ALA-AOD-BTRP-LEU]; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; *SOURCE 4 ORGANISM_TAXID: 32630; *SOURCE 5 OTHER_DETAILS: PREPARED VIA STANDARD SOLID-PHASE PEPTIDE SYNTHESIS *SOURCE 6 PROCEDURES *KEYWDS BETA AMINO ACID, DRUG DESIGN, CYCLIC TETRAPEPTIDES, HISTONE *KEYWDS 2 DEACETYLASE, STRUCTURE-ACTIVITY RELATIONSHIP, HISTONE DEACETYLASE *KEYWDS 3 INHIBITOR, HYDROLASE INHIBITOR *EXPDTA SOLUTION NMR *NUMMDL 46 *AUTHOR J.M.BEIERLE assign (resid 2 and name HB# ) (resid 2 and name HB# ) 2.7 1.1 0.0 assign (resid 3 and name HN ) (resid 2 and name HN ) 2.7 1.1 0.0 assign (resid 3 and name HB# ) (resid 4 and name HN ) 2.7 1.1 0.0 assign (resid 3 and name HQ# ) (resid 3 and name HA ) 2.7 1.1 0.0 assign (resid 1 and name HN ) (resid 2 and name HN ) 2.7 1.1 0.0 assign (resid 3 and name HA ) (resid 3 and name HB# ) 2.7 1.1 0.0 assign (resid 2 and name HB# ) (resid 2 and name HA ) 2.7 1.1 0.0 assign (resid 4 and name HB# ) (resid 4 and name HA ) 2.7 1.1 0.0 assign (resid 1 and name HB# ) (resid 1 and name HA ) 2.7 1.1 0.0 assign (resid 4 and name HB# ) (resid 4 and name HN ) 2.7 1.1 0.0 assign (resid 2 and name HB# ) (resid 2 and name HA ) 2.7 1.1 0.0 assign (resid 4 and name HB# ) (resid 4 and name HG ) 2.7 1.1 0.0 assign (resid 3 and name HB# ) (resid 3 and name HN ) 2.7 1.1 0.0 assign (resid 4 and name HB# ) (resid 4 and name HA ) 2.7 1.1 0.0 assign (resid 1 and name HN ) (resid 4 and name HN ) 2.7 1.1 0.0 assign (resid 4 and name HG ) (resid 4 and name HN ) 2.7 1.1 0.0 assign (resid 3 and name HA ) (resid 3 and name HN ) 2.7 1.1 0.0 assign (resid 2 and name HB# ) (resid 2 and name HN ) 2.7 1.1 0.0 assign (resid 3 and name HN ) (resid 1 and name HN ) 2.7 1.1 0.0 assign (resid 4 and name HA ) (resid 4 and name HN ) 2.7 1.1 0.0 assign (resid 3 and name HD1 ) (resid 3 and name HE1 ) 2.7 1.1 0.0 assign (resid 2 and name HA ) (resid 2 and name HN ) 2.7 1.1 0.0 assign (resid 4 and name HD## ) (resid 4 and name HA ) 2.7 1.1 0.0 assign (resid 4 and name HD## ) (resid 4 and name HG ) 2.7 1.1 0.0 assign (resid 4 and name HG ) (resid 4 and name HA ) 2.7 1.1 0.0 assign (resid 4 and name HD## ) (resid 4 and name HG ) 2.7 1.1 0.0 assign (resid 2 and name HB# ) (resid 3 and name HN ) 3.5 1.9 0.0 assign (resid 3 and name HA ) (resid 3 and name HB# ) 3.5 1.9 0.0 assign (resid 1 and name HA ) (resid 1 and name HN ) 3.5 1.9 0.0 assign (resid 1 and name HB# ) (resid 2 and name HN ) 3.5 1.9 0.0 assign (resid 4 and name HD## ) (resid 4 and name HB# ) 3.5 1.9 0.0 assign (resid 2 and name HA ) (resid 3 and name HN ) 3.5 1.9 0.0 assign (resid 3 and name HQ# ) (resid 3 and name HB# ) 3.5 1.9 0.0 assign (resid 4 and name HB# ) (resid 1 and name HN ) 3.5 1.9 0.0 assign (resid 1 and name HB# ) (resid 1 and name HN ) 3.5 1.9 0.0 assign (resid 4 and name HD## ) (resid 4 and name HB# ) 3.5 1.9 0.0 assign (resid 4 and name HA ) (resid 1 and name HN ) 3.5 1.9 0.0 assign (resid 3 and name HZ2 ) (resid 3 and name HE1 ) 3.5 1.9 0.0 assign (resid 2 and name HB# ) (resid 3 and name HN ) 3.5 1.9 0.0 assign (resid 4 and name HB# ) (resid 4 and name HN ) 3.5 1.9 0.0 assign (resid 4 and name HD## ) (resid 4 and name HB# ) 3.5 1.9 0.0 assign (resid 4 and name HB# ) (resid 1 and name HN ) 3.5 1.9 0.0 assign (resid 3 and name HQ# ) (resid 3 and name HB# ) 3.5 1.9 0.0 assign (resid 2 and name HG# ) (resid 2 and name HN ) 3.5 1.9 0.0 assign (resid 1 and name HA ) (resid 2 and name HN ) 3.5 1.9 0.0 assign (resid 4 and name HD## ) (resid 4 and name HA ) 3.5 1.9 0.0 assign (resid 2 and name HB# ) (resid 2 and name HN ) 3.5 1.9 0.0 assign (resid 3 and name HN ) (resid 4 and name HN ) 3.5 1.9 0.0 assign (resid 4 and name HD## ) (resid 4 and name HB# ) 4.5 2.9 0.0 assign (resid 3 and name HQ# ) (resid 3 and name HN ) 4.5 2.9 0.0 Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 HN ALA 1 7.660 -1.507 1.231 2 HA ALA 1 HA ALA 1 5.640 -3.029 -0.253 3 HB1 ALA 1 HB1 ALA 1 4.631 -1.832 1.744 4 HB2 ALA 1 HB2 ALA 1 3.971 -1.362 0.178 5 HB3 ALA 1 HB3 ALA 1 5.137 -0.319 0.992 6 HN UVR 2 HN UVR 2 7.273 0.056 0.247 7 HA UVR 2 HA UVR 2 7.515 0.508 -2.610 8 HB1 UVR 2 HB1 UVR 2 7.944 2.798 -2.142 9 HB2 UVR 2 HB2 UVR 2 8.318 2.457 -0.458 10 HG1 UVR 2 HG1 UVR 2 6.252 3.391 -0.237 11 HG2 UVR 2 HG2 UVR 2 5.808 1.691 -0.387 12 HD1 UVR 2 HD1 UVR 2 4.824 1.989 -2.390 13 HD2 UVR 2 HD2 UVR 2 6.051 3.135 -2.934 14 HE1 UVR 2 HE1 UVR 2 4.995 4.944 -1.899 15 HE2 UVR 2 HE2 UVR 2 4.031 3.899 -0.854 16 HF1 UVR 2 HF1 UVR 2 2.994 3.043 -3.071 17 HF2 UVR 2 HF2 UVR 2 3.656 4.534 -3.759 18 HY1 UVR 2 HY1 UVR 2 0.699 3.417 -2.972 19 HY2 UVR 2 HY2 UVR 2 0.392 5.091 -3.464 20 HZ1 UVR 2 HZ1 UVR 2 -0.302 5.634 -1.111 21 HZ2 UVR 2 HZ2 UVR 2 -0.014 3.990 -0.613 22 HZ3 UVR 2 HZ3 UVR 2 -1.242 4.608 -1.683 23 HQ1 UVR 3 HQ1 UVR 3 11.186 -0.897 2.080 24 HQ2 UVR 3 HQ2 UVR 3 12.331 -1.655 0.991 25 HN UVR 3 HN UVR 3 9.242 0.598 0.428 26 HA UVR 3 HA UVR 3 11.794 -0.191 -0.791 27 HB1 UVR 3 HB1 UVR 3 11.343 0.680 2.058 28 HB2 UVR 3 HB2 UVR 3 11.696 1.848 0.791 29 HD1 UVR 3 HD1 UVR 3 13.831 -0.560 -0.476 30 HE1 UVR 3 HE1 UVR 3 16.204 -0.497 0.519 31 HE3 UVR 3 HE3 UVR 3 12.871 2.167 3.742 32 HZ2 UVR 3 HZ2 UVR 3 17.497 0.568 2.791 33 HZ3 UVR 3 HZ3 UVR 3 14.732 2.664 5.273 34 HH2 UVR 3 HH2 UVR 3 16.997 1.880 4.805 35 H LEU 4 HN LEU 4 9.218 -1.386 2.121 36 HA LEU 4 HA LEU 4 9.346 -4.279 2.224 37 HB2 LEU 4 HB2 LEU 4 7.748 -2.354 3.924 38 HB3 LEU 4 HB1 LEU 4 7.895 -4.082 4.194 39 HG LEU 4 HG LEU 4 10.470 -2.699 4.133 40 HD11 LEU 4 HD11 LEU 4 8.932 -0.978 5.155 41 HD12 LEU 4 HD12 LEU 4 10.284 -1.500 6.160 42 HD13 LEU 4 HD13 LEU 4 8.664 -2.125 6.467 43 HD21 LEU 4 HD21 LEU 4 10.208 -5.017 4.824 44 HD22 LEU 4 HD22 LEU 4 9.128 -4.521 6.126 45 HD23 LEU 4 HD23 LEU 4 10.823 -4.036 6.154 Start of MODEL 2 1 H1 ALA 1 HN ALA 1 7.656 -1.506 1.224 2 HA ALA 1 HA ALA 1 5.625 -3.023 -0.246 3 HB1 ALA 1 HB1 ALA 1 4.400 -0.622 0.140 4 HB2 ALA 1 HB2 ALA 1 5.232 -0.818 1.681 5 HB3 ALA 1 HB3 ALA 1 4.096 -2.049 1.130 6 HN UVR 2 HN UVR 2 7.284 0.047 0.248 7 HA UVR 2 HA UVR 2 7.519 0.496 -2.612 8 HB1 UVR 2 HB1 UVR 2 8.225 2.793 -1.997 9 HB2 UVR 2 HB2 UVR 2 8.049 2.378 -0.298 10 HG1 UVR 2 HG1 UVR 2 5.625 1.816 -1.756 11 HG2 UVR 2 HG2 UVR 2 6.126 3.494 -1.967 12 HD1 UVR 2 HD1 UVR 2 5.008 3.795 -0.033 13 HD2 UVR 2 HD2 UVR 2 6.513 3.215 0.685 14 HE1 UVR 2 HE1 UVR 2 5.657 1.024 0.948 15 HE2 UVR 2 HE2 UVR 2 4.264 1.370 -0.080 16 HF1 UVR 2 HF1 UVR 2 3.186 2.591 1.564 17 HF2 UVR 2 HF2 UVR 2 4.691 2.957 2.420 18 HY1 UVR 2 HY1 UVR 2 4.235 0.079 4.668 19 HY2 UVR 2 HY2 UVR 2 4.541 1.824 4.638 20 HZ1 UVR 2 HZ1 UVR 2 6.559 1.168 3.028 21 HZ2 UVR 2 HZ2 UVR 2 6.423 -0.403 3.769 22 HZ3 UVR 2 HZ3 UVR 2 6.798 1.127 4.512 23 HQ1 UVR 3 HQ1 UVR 3 11.135 -0.847 2.100 24 HQ2 UVR 3 HQ2 UVR 3 12.343 -1.598 1.068 25 HN UVR 3 HN UVR 3 9.242 0.597 0.430 26 HA UVR 3 HA UVR 3 11.803 -0.195 -0.778 27 HB1 UVR 3 HB1 UVR 3 12.780 0.380 1.410 28 HB2 UVR 3 HB2 UVR 3 11.173 0.861 1.978 29 HD1 UVR 3 HD1 UVR 3 11.234 3.404 2.223 30 HE1 UVR 3 HE1 UVR 3 11.991 5.382 0.761 31 HE3 UVR 3 HE3 UVR 3 13.289 0.799 -1.668 32 HZ2 UVR 3 HZ2 UVR 3 13.287 5.785 -1.715 33 HZ3 UVR 3 HZ3 UVR 3 14.265 2.056 -3.543 34 HH2 UVR 3 HH2 UVR 3 14.263 4.497 -3.565 35 H LEU 4 HN LEU 4 9.190 -1.383 2.073 36 HA LEU 4 HA LEU 4 9.347 -4.276 2.208 37 HB2 LEU 4 HB2 LEU 4 7.740 -2.368 3.918 38 HB3 LEU 4 HB1 LEU 4 7.939 -4.088 4.197 39 HG LEU 4 HG LEU 4 10.481 -2.663 4.088 40 HD11 LEU 4 HD11 LEU 4 10.309 -1.315 5.970 41 HD12 LEU 4 HD12 LEU 4 8.808 -2.073 6.500 42 HD13 LEU 4 HD13 LEU 4 8.805 -0.987 5.111 43 HD21 LEU 4 HD21 LEU 4 9.955 -5.026 4.890 44 HD22 LEU 4 HD22 LEU 4 9.328 -4.263 6.351 45 HD23 LEU 4 HD23 LEU 4 11.020 -4.048 5.900 Start of MODEL 3 1 H1 ALA 1 HN ALA 1 7.666 -1.509 1.223 2 HA ALA 1 HA ALA 1 5.636 -3.026 -0.250 3 HB1 ALA 1 HB1 ALA 1 4.885 -0.290 0.555 4 HB2 ALA 1 HB2 ALA 1 4.960 -1.451 1.881 5 HB3 ALA 1 HB3 ALA 1 3.907 -1.757 0.500 6 HN UVR 2 HN UVR 2 7.277 0.056 0.246 7 HA UVR 2 HA UVR 2 7.517 0.503 -2.613 8 HB1 UVR 2 HB1 UVR 2 7.904 2.792 -2.162 9 HB2 UVR 2 HB2 UVR 2 8.344 2.468 -0.490 10 HG1 UVR 2 HG1 UVR 2 6.174 3.588 -0.694 11 HG2 UVR 2 HG2 UVR 2 6.042 2.002 0.067 12 HD1 UVR 2 HD1 UVR 2 5.504 1.125 -2.277 13 HD2 UVR 2 HD2 UVR 2 5.254 2.817 -2.713 14 HE1 UVR 2 HE1 UVR 2 3.818 1.336 -0.511 15 HE2 UVR 2 HE2 UVR 2 3.150 1.725 -2.097 16 HF1 UVR 2 HF1 UVR 2 4.152 3.806 -0.160 17 HF2 UVR 2 HF2 UVR 2 2.462 3.289 -0.258 18 HY1 UVR 2 HY1 UVR 2 4.470 5.829 -1.146 19 HY2 UVR 2 HY2 UVR 2 3.422 6.408 -2.452 20 HZ1 UVR 2 HZ1 UVR 2 5.635 6.217 -3.480 21 HZ2 UVR 2 HZ2 UVR 2 4.933 4.689 -3.930 22 HZ3 UVR 2 HZ3 UVR 2 6.090 5.031 -2.674 23 HQ1 UVR 3 HQ1 UVR 3 11.182 -0.894 2.083 24 HQ2 UVR 3 HQ2 UVR 3 12.332 -1.650 0.997 25 HN UVR 3 HN UVR 3 9.242 0.599 0.427 26 HA UVR 3 HA UVR 3 11.797 -0.187 -0.787 27 HB1 UVR 3 HB1 UVR 3 11.322 0.691 2.056 28 HB2 UVR 3 HB2 UVR 3 11.712 1.847 0.788 29 HD1 UVR 3 HD1 UVR 3 14.186 1.576 -0.395 30 HE1 UVR 3 HE1 UVR 3 16.404 0.761 0.624 31 HE3 UVR 3 HE3 UVR 3 12.349 -0.855 3.711 32 HZ2 UVR 3 HZ2 UVR 3 17.261 -0.717 2.871 33 HZ3 UVR 3 HZ3 UVR 3 13.935 -1.943 5.244 34 HH2 UVR 3 HH2 UVR 3 16.340 -1.875 4.832 35 H LEU 4 HN LEU 4 9.214 -1.388 2.117 36 HA LEU 4 HA LEU 4 9.346 -4.282 2.218 37 HB2 LEU 4 HB2 LEU 4 7.744 -2.369 3.928 38 HB3 LEU 4 HB1 LEU 4 7.916 -4.094 4.197 39 HG LEU 4 HG LEU 4 10.481 -2.702 4.120 40 HD11 LEU 4 HD11 LEU 4 8.308 -1.679 5.840 41 HD12 LEU 4 HD12 LEU 4 9.744 -0.867 5.217 42 HD13 LEU 4 HD13 LEU 4 9.873 -1.940 6.610 43 HD21 LEU 4 HD21 LEU 4 9.210 -4.377 6.278 44 HD22 LEU 4 HD22 LEU 4 10.927 -4.054 6.035 45 HD23 LEU 4 HD23 LEU 4 10.043 -5.044 4.874 Start of MODEL 4 1 H1 ALA 1 HN ALA 1 7.657 -1.506 1.223 2 HA ALA 1 HA ALA 1 5.626 -3.024 -0.247 3 HB1 ALA 1 HB1 ALA 1 4.489 -1.938 1.642 4 HB2 ALA 1 HB2 ALA 1 4.035 -1.170 0.121 5 HB3 ALA 1 HB3 ALA 1 5.203 -0.389 1.189 6 HN UVR 2 HN UVR 2 7.287 0.044 0.248 7 HA UVR 2 HA UVR 2 7.517 0.499 -2.611 8 HB1 UVR 2 HB1 UVR 2 8.019 2.795 -2.114 9 HB2 UVR 2 HB2 UVR 2 8.250 2.433 -0.409 10 HG1 UVR 2 HG1 UVR 2 6.183 3.304 -0.245 11 HG2 UVR 2 HG2 UVR 2 5.700 1.663 -0.678 12 HD1 UVR 2 HD1 UVR 2 5.907 2.542 -3.123 13 HD2 UVR 2 HD2 UVR 2 5.754 4.129 -2.366 14 HE1 UVR 2 HE1 UVR 2 3.720 2.930 -1.151 15 HE2 UVR 2 HE2 UVR 2 3.764 1.940 -2.612 16 HF1 UVR 2 HF1 UVR 2 2.296 3.657 -3.186 17 HF2 UVR 2 HF2 UVR 2 3.835 4.208 -3.862 18 HY1 UVR 2 HY1 UVR 2 3.501 7.342 -1.933 19 HY2 UVR 2 HY2 UVR 2 2.851 6.810 -3.493 20 HZ1 UVR 2 HZ1 UVR 2 5.750 6.517 -2.543 21 HZ2 UVR 2 HZ2 UVR 2 5.206 7.308 -3.996 22 HZ3 UVR 2 HZ3 UVR 2 5.288 5.605 -3.645 23 HQ1 UVR 3 HQ1 UVR 3 11.133 -0.847 2.101 24 HQ2 UVR 3 HQ2 UVR 3 12.342 -1.597 1.071 25 HN UVR 3 HN UVR 3 9.241 0.593 0.430 26 HA UVR 3 HA UVR 3 11.802 -0.197 -0.779 27 HB1 UVR 3 HB1 UVR 3 12.785 0.388 1.400 28 HB2 UVR 3 HB2 UVR 3 11.179 0.856 1.979 29 HD1 UVR 3 HD1 UVR 3 11.246 3.397 2.245 30 HE1 UVR 3 HE1 UVR 3 11.965 5.385 0.778 31 HE3 UVR 3 HE3 UVR 3 13.232 0.821 -1.700 32 HZ2 UVR 3 HZ2 UVR 3 13.208 5.806 -1.721 33 HZ3 UVR 3 HZ3 UVR 3 14.165 2.092 -3.589 34 HH2 UVR 3 HH2 UVR 3 14.152 4.533 -3.599 35 H LEU 4 HN LEU 4 9.190 -1.383 2.072 36 HA LEU 4 HA LEU 4 9.348 -4.276 2.210 37 HB2 LEU 4 HB2 LEU 4 7.738 -2.368 3.917 38 HB3 LEU 4 HB1 LEU 4 7.942 -4.088 4.199 39 HG LEU 4 HG LEU 4 10.480 -2.656 4.088 40 HD11 LEU 4 HD11 LEU 4 10.245 -1.533 6.238 41 HD12 LEU 4 HD12 LEU 4 8.536 -1.966 6.288 42 HD13 LEU 4 HD13 LEU 4 9.131 -0.861 5.048 43 HD21 LEU 4 HD21 LEU 4 10.951 -3.972 6.035 44 HD22 LEU 4 HD22 LEU 4 10.119 -4.992 4.860 45 HD23 LEU 4 HD23 LEU 4 9.242 -4.351 6.250 Start of MODEL 5 1 H1 ALA 1 HN ALA 1 7.657 -1.506 1.223 2 HA ALA 1 HA ALA 1 5.626 -3.024 -0.248 3 HB1 ALA 1 HB1 ALA 1 4.966 -0.271 0.685 4 HB2 ALA 1 HB2 ALA 1 4.864 -1.575 1.870 5 HB3 ALA 1 HB3 ALA 1 3.899 -1.646 0.395 6 HN UVR 2 HN UVR 2 7.284 0.047 0.247 7 HA UVR 2 HA UVR 2 7.518 0.497 -2.611 8 HB1 UVR 2 HB1 UVR 2 8.139 2.796 -2.054 9 HB2 UVR 2 HB2 UVR 2 8.140 2.400 -0.340 10 HG1 UVR 2 HG1 UVR 2 5.821 2.279 -0.238 11 HG2 UVR 2 HG2 UVR 2 5.659 2.090 -1.985 12 HD1 UVR 2 HD1 UVR 2 6.762 4.592 -0.734 13 HD2 UVR 2 HD2 UVR 2 5.035 4.357 -1.012 14 HE1 UVR 2 HE1 UVR 2 5.234 4.510 -3.278 15 HE2 UVR 2 HE2 UVR 2 6.871 3.852 -3.287 16 HF1 UVR 2 HF1 UVR 2 7.569 6.045 -2.167 17 HF2 UVR 2 HF2 UVR 2 5.980 6.652 -2.655 18 HY1 UVR 2 HY1 UVR 2 8.370 7.985 -3.869 19 HY2 UVR 2 HY2 UVR 2 8.558 7.366 -5.518 20 HZ1 UVR 2 HZ1 UVR 2 10.675 6.853 -4.365 21 HZ2 UVR 2 HZ2 UVR 2 9.828 5.334 -4.267 22 HZ3 UVR 2 HZ3 UVR 2 10.058 6.539 -3.030 23 HQ1 UVR 3 HQ1 UVR 3 11.135 -0.847 2.100 24 HQ2 UVR 3 HQ2 UVR 3 12.342 -1.599 1.068 25 HN UVR 3 HN UVR 3 9.242 0.596 0.430 26 HA UVR 3 HA UVR 3 11.803 -0.196 -0.779 27 HB1 UVR 3 HB1 UVR 3 12.779 0.374 1.413 28 HB2 UVR 3 HB2 UVR 3 11.173 0.864 1.974 29 HD1 UVR 3 HD1 UVR 3 10.208 2.712 -0.325 30 HE1 UVR 3 HE1 UVR 3 11.380 4.953 -0.805 31 HE3 UVR 3 HE3 UVR 3 14.732 1.747 1.854 32 HZ2 UVR 3 HZ2 UVR 3 13.889 6.154 -0.323 33 HZ3 UVR 3 HZ3 UVR 3 16.464 3.495 1.801 34 HH2 UVR 3 HH2 UVR 3 16.049 5.652 0.733 35 H LEU 4 HN LEU 4 9.191 -1.383 2.074 36 HA LEU 4 HA LEU 4 9.348 -4.276 2.209 37 HB2 LEU 4 HB2 LEU 4 7.746 -2.363 3.918 38 HB3 LEU 4 HB1 LEU 4 7.933 -4.085 4.196 39 HG LEU 4 HG LEU 4 10.480 -2.661 4.092 40 HD11 LEU 4 HD11 LEU 4 8.604 -1.130 5.241 41 HD12 LEU 4 HD12 LEU 4 10.277 -1.188 5.794 42 HD13 LEU 4 HD13 LEU 4 9.044 -2.140 6.617 43 HD21 LEU 4 HD21 LEU 4 10.293 -4.962 4.820 44 HD22 LEU 4 HD22 LEU 4 9.176 -4.492 6.101 45 HD23 LEU 4 HD23 LEU 4 10.854 -3.953 6.153 Start of MODEL 6 1 H1 ALA 1 HN ALA 1 7.664 -1.508 1.217 2 HA ALA 1 HA ALA 1 5.627 -3.023 -0.248 3 HB1 ALA 1 HB1 ALA 1 3.924 -1.495 0.279 4 HB2 ALA 1 HB2 ALA 1 5.067 -0.278 0.849 5 HB3 ALA 1 HB3 ALA 1 4.748 -1.714 1.824 6 HN UVR 2 HN UVR 2 7.280 0.051 0.247 7 HA UVR 2 HA UVR 2 7.518 0.498 -2.612 8 HB1 UVR 2 HB1 UVR 2 7.926 2.788 -2.158 9 HB2 UVR 2 HB2 UVR 2 8.332 2.461 -0.480 10 HG1 UVR 2 HG1 UVR 2 6.224 2.701 0.184 11 HG2 UVR 2 HG2 UVR 2 5.609 1.691 -1.126 12 HD1 UVR 2 HD1 UVR 2 4.726 3.969 -1.264 13 HD2 UVR 2 HD2 UVR 2 5.730 3.579 -2.662 14 HE1 UVR 2 HE1 UVR 2 6.278 5.797 -1.941 15 HE2 UVR 2 HE2 UVR 2 7.629 4.735 -1.542 16 HF1 UVR 2 HF1 UVR 2 7.504 5.600 0.522 17 HF2 UVR 2 HF2 UVR 2 6.050 4.610 0.718 18 HY1 UVR 2 HY1 UVR 2 4.843 6.981 2.196 19 HY2 UVR 2 HY2 UVR 2 4.025 5.737 1.237 20 HZ1 UVR 2 HZ1 UVR 2 3.248 7.703 -0.310 21 HZ2 UVR 2 HZ2 UVR 2 3.688 8.768 0.996 22 HZ3 UVR 2 HZ3 UVR 2 2.468 7.524 0.963 23 HQ1 UVR 3 HQ1 UVR 3 11.137 -0.850 2.099 24 HQ2 UVR 3 HQ2 UVR 3 12.341 -1.601 1.065 25 HN UVR 3 HN UVR 3 9.243 0.601 0.430 26 HA UVR 3 HA UVR 3 11.801 -0.195 -0.780 27 HB1 UVR 3 HB1 UVR 3 12.783 0.379 1.406 28 HB2 UVR 3 HB2 UVR 3 11.177 0.857 1.978 29 HD1 UVR 3 HD1 UVR 3 13.724 1.945 -0.747 30 HE1 UVR 3 HE1 UVR 3 13.507 4.492 -1.051 31 HE3 UVR 3 HE3 UVR 3 9.833 2.819 2.452 32 HZ2 UVR 3 HZ2 UVR 3 11.899 6.593 -0.067 33 HZ3 UVR 3 HZ3 UVR 3 9.015 5.125 2.713 34 HH2 UVR 3 HH2 UVR 3 10.029 6.972 1.479 35 H LEU 4 HN LEU 4 9.192 -1.384 2.078 36 HA LEU 4 HA LEU 4 9.347 -4.278 2.208 37 HB2 LEU 4 HB2 LEU 4 7.744 -2.371 3.923 38 HB3 LEU 4 HB1 LEU 4 7.941 -4.092 4.198 39 HG LEU 4 HG LEU 4 10.485 -2.669 4.089 40 HD11 LEU 4 HD11 LEU 4 8.321 -1.686 5.854 41 HD12 LEU 4 HD12 LEU 4 9.707 -0.834 5.172 42 HD13 LEU 4 HD13 LEU 4 9.920 -1.887 6.570 43 HD21 LEU 4 HD21 LEU 4 9.286 -4.322 6.299 44 HD22 LEU 4 HD22 LEU 4 10.992 -4.025 5.966 45 HD23 LEU 4 HD23 LEU 4 10.039 -5.023 4.867 Start of MODEL 7 1 H1 ALA 1 HN ALA 1 7.662 -1.507 1.220 2 HA ALA 1 HA ALA 1 5.621 -3.019 -0.241 3 HB1 ALA 1 HB1 ALA 1 3.898 -1.710 0.478 4 HB2 ALA 1 HB2 ALA 1 4.912 -0.272 0.603 5 HB3 ALA 1 HB3 ALA 1 4.932 -1.480 1.889 6 HN UVR 2 HN UVR 2 7.283 0.050 0.245 7 HA UVR 2 HA UVR 2 7.520 0.491 -2.614 8 HB1 UVR 2 HB1 UVR 2 8.548 2.745 -1.613 9 HB2 UVR 2 HB2 UVR 2 7.564 2.290 -0.230 10 HG1 UVR 2 HG1 UVR 2 6.430 3.861 -1.742 11 HG2 UVR 2 HG2 UVR 2 5.567 2.331 -1.575 12 HD1 UVR 2 HD1 UVR 2 5.670 3.190 -3.911 13 HD2 UVR 2 HD2 UVR 2 6.351 1.576 -3.707 14 HE1 UVR 2 HE1 UVR 2 7.770 2.931 -5.148 15 HE2 UVR 2 HE2 UVR 2 8.605 2.535 -3.646 16 HF1 UVR 2 HF1 UVR 2 8.197 4.730 -2.764 17 HF2 UVR 2 HF2 UVR 2 7.150 5.134 -4.133 18 HY1 UVR 2 HY1 UVR 2 10.929 3.764 -4.482 19 HY2 UVR 2 HY2 UVR 2 10.628 4.711 -3.015 20 HZ1 UVR 2 HZ1 UVR 2 12.021 6.411 -3.821 21 HZ2 UVR 2 HZ2 UVR 2 11.294 6.400 -5.403 22 HZ3 UVR 2 HZ3 UVR 2 12.599 5.421 -4.794 23 HQ1 UVR 3 HQ1 UVR 3 11.134 -0.847 2.102 24 HQ2 UVR 3 HQ2 UVR 3 12.342 -1.596 1.068 25 HN UVR 3 HN UVR 3 9.241 0.602 0.429 26 HA UVR 3 HA UVR 3 11.804 -0.189 -0.775 27 HB1 UVR 3 HB1 UVR 3 12.776 0.384 1.417 28 HB2 UVR 3 HB2 UVR 3 11.167 0.863 1.980 29 HD1 UVR 3 HD1 UVR 3 11.237 2.188 -1.357 30 HE1 UVR 3 HE1 UVR 3 11.996 4.646 -1.410 31 HE3 UVR 3 HE3 UVR 3 13.279 2.508 3.319 32 HZ2 UVR 3 HZ2 UVR 3 13.289 6.480 0.304 33 HZ3 UVR 3 HZ3 UVR 3 14.256 4.650 4.035 34 HH2 UVR 3 HH2 UVR 3 14.260 6.593 2.558 35 H LEU 4 HN LEU 4 9.191 -1.385 2.077 36 HA LEU 4 HA LEU 4 9.347 -4.280 2.199 37 HB2 LEU 4 HB2 LEU 4 7.760 -2.371 3.927 38 HB3 LEU 4 HB1 LEU 4 7.935 -4.097 4.190 39 HG LEU 4 HG LEU 4 10.487 -2.675 4.088 40 HD11 LEU 4 HD11 LEU 4 10.035 -1.909 6.542 41 HD12 LEU 4 HD12 LEU 4 8.357 -1.846 6.003 42 HD13 LEU 4 HD13 LEU 4 9.582 -0.872 5.188 43 HD21 LEU 4 HD21 LEU 4 10.822 -3.989 6.181 44 HD22 LEU 4 HD22 LEU 4 10.393 -4.964 4.775 45 HD23 LEU 4 HD23 LEU 4 9.177 -4.600 6.001 Start of MODEL 8 1 H1 ALA 1 HN ALA 1 7.653 -1.504 1.226 2 HA ALA 1 HA ALA 1 5.623 -3.023 -0.245 3 HB1 ALA 1 HB1 ALA 1 5.252 -0.560 1.450 4 HB2 ALA 1 HB2 ALA 1 4.286 -2.035 1.425 5 HB3 ALA 1 HB3 ALA 1 4.185 -0.893 0.086 6 HN UVR 2 HN UVR 2 7.290 0.042 0.248 7 HA UVR 2 HA UVR 2 7.519 0.493 -2.611 8 HB1 UVR 2 HB1 UVR 2 8.198 2.792 -2.017 9 HB2 UVR 2 HB2 UVR 2 8.078 2.382 -0.311 10 HG1 UVR 2 HG1 UVR 2 6.047 3.312 -0.493 11 HG2 UVR 2 HG2 UVR 2 5.595 1.733 -1.138 12 HD1 UVR 2 HD1 UVR 2 6.563 3.992 -2.875 13 HD2 UVR 2 HD2 UVR 2 4.860 3.738 -2.494 14 HE1 UVR 2 HE1 UVR 2 5.801 1.239 -3.311 15 HE2 UVR 2 HE2 UVR 2 6.528 2.395 -4.429 16 HF1 UVR 2 HF1 UVR 2 4.398 1.653 -5.308 17 HF2 UVR 2 HF2 UVR 2 4.280 3.355 -4.838 18 HY1 UVR 2 HY1 UVR 2 2.768 0.688 -1.939 19 HY2 UVR 2 HY2 UVR 2 4.162 0.175 -2.904 20 HZ1 UVR 2 HZ1 UVR 2 2.479 -1.314 -3.742 21 HZ2 UVR 2 HZ2 UVR 2 2.113 0.021 -4.800 22 HZ3 UVR 2 HZ3 UVR 2 1.300 -0.473 -3.341 23 HQ1 UVR 3 HQ1 UVR 3 11.132 -0.843 2.103 24 HQ2 UVR 3 HQ2 UVR 3 12.345 -1.592 1.076 25 HN UVR 3 HN UVR 3 9.242 0.596 0.431 26 HA UVR 3 HA UVR 3 11.805 -0.194 -0.776 27 HB1 UVR 3 HB1 UVR 3 12.770 0.371 1.428 28 HB2 UVR 3 HB2 UVR 3 11.163 0.876 1.971 29 HD1 UVR 3 HD1 UVR 3 10.693 2.408 -1.007 30 HE1 UVR 3 HE1 UVR 3 11.714 4.760 -1.223 31 HE3 UVR 3 HE3 UVR 3 14.098 2.171 2.800 32 HZ2 UVR 3 HZ2 UVR 3 13.699 6.310 0.050 33 HZ3 UVR 3 HZ3 UVR 3 15.519 4.131 3.235 34 HH2 UVR 3 HH2 UVR 3 15.323 6.158 1.887 35 H LEU 4 HN LEU 4 9.188 -1.382 2.068 36 HA LEU 4 HA LEU 4 9.348 -4.275 2.207 37 HB2 LEU 4 HB2 LEU 4 7.742 -2.365 3.914 38 HB3 LEU 4 HB1 LEU 4 7.938 -4.085 4.194 39 HG LEU 4 HG LEU 4 10.479 -2.654 4.086 40 HD11 LEU 4 HD11 LEU 4 9.888 -1.902 6.582 41 HD12 LEU 4 HD12 LEU 4 8.307 -1.674 5.834 42 HD13 LEU 4 HD13 LEU 4 9.717 -0.833 5.190 43 HD21 LEU 4 HD21 LEU 4 9.441 -4.192 6.422 44 HD22 LEU 4 HD22 LEU 4 11.071 -4.125 5.751 45 HD23 LEU 4 HD23 LEU 4 9.812 -5.039 4.921 Start of MODEL 9 1 H1 ALA 1 HN ALA 1 7.657 -1.506 1.222 2 HA ALA 1 HA ALA 1 5.627 -3.025 -0.248 3 HB1 ALA 1 HB1 ALA 1 4.236 -2.052 1.353 4 HB2 ALA 1 HB2 ALA 1 4.235 -0.825 0.085 5 HB3 ALA 1 HB3 ALA 1 5.254 -0.620 1.511 6 HN UVR 2 HN UVR 2 7.284 0.045 0.248 7 HA UVR 2 HA UVR 2 7.517 0.498 -2.611 8 HB1 UVR 2 HB1 UVR 2 8.222 2.795 -1.993 9 HB2 UVR 2 HB2 UVR 2 8.053 2.376 -0.294 10 HG1 UVR 2 HG1 UVR 2 5.969 3.113 -0.397 11 HG2 UVR 2 HG2 UVR 2 5.594 1.744 -1.444 12 HD1 UVR 2 HD1 UVR 2 4.876 3.743 -2.548 13 HD2 UVR 2 HD2 UVR 2 6.295 3.126 -3.395 14 HE1 UVR 2 HE1 UVR 2 6.614 5.461 -3.203 15 HE2 UVR 2 HE2 UVR 2 7.669 4.723 -1.996 16 HF1 UVR 2 HF1 UVR 2 5.545 5.065 -0.452 17 HF2 UVR 2 HF2 UVR 2 5.199 6.340 -1.629 18 HY1 UVR 2 HY1 UVR 2 8.892 5.792 0.016 19 HY2 UVR 2 HY2 UVR 2 7.523 5.135 0.930 20 HZ1 UVR 2 HZ1 UVR 2 7.995 8.061 1.356 21 HZ2 UVR 2 HZ2 UVR 2 9.183 7.009 2.075 22 HZ3 UVR 2 HZ3 UVR 2 7.468 7.086 2.372 23 HQ1 UVR 3 HQ1 UVR 3 11.135 -0.846 2.100 24 HQ2 UVR 3 HQ2 UVR 3 12.343 -1.598 1.070 25 HN UVR 3 HN UVR 3 9.242 0.596 0.431 26 HA UVR 3 HA UVR 3 11.803 -0.196 -0.779 27 HB1 UVR 3 HB1 UVR 3 12.779 0.374 1.413 28 HB2 UVR 3 HB2 UVR 3 11.173 0.865 1.973 29 HD1 UVR 3 HD1 UVR 3 12.728 1.873 -1.417 30 HE1 UVR 3 HE1 UVR 3 12.923 4.439 -1.475 31 HE3 UVR 3 HE3 UVR 3 11.245 2.908 3.365 32 HZ2 UVR 3 HZ2 UVR 3 12.505 6.614 0.275 33 HZ3 UVR 3 HZ3 UVR 3 11.169 5.257 4.094 34 HH2 UVR 3 HH2 UVR 3 11.787 7.070 2.580 35 H LEU 4 HN LEU 4 9.190 -1.382 2.072 36 HA LEU 4 HA LEU 4 9.347 -4.275 2.210 37 HB2 LEU 4 HB2 LEU 4 7.740 -2.366 3.917 38 HB3 LEU 4 HB1 LEU 4 7.939 -4.086 4.198 39 HG LEU 4 HG LEU 4 10.481 -2.659 4.089 40 HD11 LEU 4 HD11 LEU 4 10.292 -1.424 6.109 41 HD12 LEU 4 HD12 LEU 4 8.661 -2.027 6.401 42 HD13 LEU 4 HD13 LEU 4 8.964 -0.914 5.067 43 HD21 LEU 4 HD21 LEU 4 9.237 -4.354 6.247 44 HD22 LEU 4 HD22 LEU 4 10.947 -3.976 6.038 45 HD23 LEU 4 HD23 LEU 4 10.119 -4.994 4.859 Start of MODEL 10 1 H1 ALA 1 HN ALA 1 7.647 -1.506 1.265 2 HA ALA 1 HA ALA 1 5.623 -3.011 -0.229 3 HB1 ALA 1 HB1 ALA 1 3.963 -1.365 0.219 4 HB2 ALA 1 HB2 ALA 1 5.139 -0.276 0.953 5 HB3 ALA 1 HB3 ALA 1 4.671 -1.759 1.785 6 HN UVR 2 HN UVR 2 7.272 0.080 0.233 7 HA UVR 2 HA UVR 2 7.531 0.452 -2.633 8 HB1 UVR 2 HB1 UVR 2 6.562 2.341 -1.251 9 HB2 UVR 2 HB2 UVR 2 7.958 2.774 -2.225 10 HG1 UVR 2 HG1 UVR 2 9.392 2.635 -0.266 11 HG2 UVR 2 HG2 UVR 2 8.011 2.153 0.721 12 HD1 UVR 2 HD1 UVR 2 7.889 4.694 -0.845 13 HD2 UVR 2 HD2 UVR 2 8.787 4.649 0.673 14 HE1 UVR 2 HE1 UVR 2 6.750 3.764 1.789 15 HE2 UVR 2 HE2 UVR 2 5.873 3.984 0.274 16 HF1 UVR 2 HF1 UVR 2 7.317 6.232 1.662 17 HF2 UVR 2 HF2 UVR 2 5.618 5.843 1.967 18 HY1 UVR 2 HY1 UVR 2 4.122 7.439 -0.377 19 HY2 UVR 2 HY2 UVR 2 4.082 5.707 0.001 20 HZ1 UVR 2 HZ1 UVR 2 4.948 5.176 -2.263 21 HZ2 UVR 2 HZ2 UVR 2 5.153 6.861 -2.650 22 HZ3 UVR 2 HZ3 UVR 2 3.677 5.958 -2.445 23 HQ1 UVR 3 HQ1 UVR 3 11.178 -0.890 2.092 24 HQ2 UVR 3 HQ2 UVR 3 12.335 -1.638 1.005 25 HN UVR 3 HN UVR 3 9.214 0.550 0.424 26 HA UVR 3 HA UVR 3 11.795 -0.175 -0.773 27 HB1 UVR 3 HB1 UVR 3 11.292 0.698 2.068 28 HB2 UVR 3 HB2 UVR 3 11.675 1.860 0.803 29 HD1 UVR 3 HD1 UVR 3 14.158 1.618 -0.367 30 HE1 UVR 3 HE1 UVR 3 16.380 0.829 0.666 31 HE3 UVR 3 HE3 UVR 3 12.327 -0.835 3.729 32 HZ2 UVR 3 HZ2 UVR 3 17.243 -0.638 2.918 33 HZ3 UVR 3 HZ3 UVR 3 13.917 -1.905 5.272 34 HH2 UVR 3 HH2 UVR 3 16.325 -1.807 4.873 35 H LEU 4 HN LEU 4 9.206 -1.396 2.115 36 HA LEU 4 HA LEU 4 9.349 -4.289 2.212 37 HB2 LEU 4 HB2 LEU 4 7.740 -2.383 3.923 38 HB3 LEU 4 HB1 LEU 4 7.905 -4.109 4.185 39 HG LEU 4 HG LEU 4 10.468 -2.708 4.126 40 HD11 LEU 4 HD11 LEU 4 10.274 -1.304 5.907 41 HD12 LEU 4 HD12 LEU 4 8.925 -2.197 6.609 42 HD13 LEU 4 HD13 LEU 4 8.654 -1.129 5.232 43 HD21 LEU 4 HD21 LEU 4 10.134 -5.049 4.830 44 HD22 LEU 4 HD22 LEU 4 9.167 -4.480 6.191 45 HD23 LEU 4 HD23 LEU 4 10.877 -4.061 6.088 Start of MODEL 11 1 H1 ALA 1 HN ALA 1 7.668 -1.510 1.223 2 HA ALA 1 HA ALA 1 5.636 -3.025 -0.249 3 HB1 ALA 1 HB1 ALA 1 5.224 -0.410 1.225 4 HB2 ALA 1 HB2 ALA 1 4.465 -1.955 1.608 5 HB3 ALA 1 HB3 ALA 1 4.066 -1.126 0.103 6 HN UVR 2 HN UVR 2 7.275 0.057 0.246 7 HA UVR 2 HA UVR 2 7.517 0.502 -2.614 8 HB1 UVR 2 HB1 UVR 2 8.531 2.759 -1.626 9 HB2 UVR 2 HB2 UVR 2 7.581 2.296 -0.221 10 HG1 UVR 2 HG1 UVR 2 5.986 3.499 -1.246 11 HG2 UVR 2 HG2 UVR 2 5.729 2.003 -2.146 12 HD1 UVR 2 HD1 UVR 2 7.039 2.784 -3.976 13 HD2 UVR 2 HD2 UVR 2 7.598 4.181 -3.056 14 HE1 UVR 2 HE1 UVR 2 5.160 4.880 -2.915 15 HE2 UVR 2 HE2 UVR 2 4.845 3.650 -4.142 16 HF1 UVR 2 HF1 UVR 2 5.135 5.620 -5.376 17 HF2 UVR 2 HF2 UVR 2 6.704 4.810 -5.493 18 HY1 UVR 2 HY1 UVR 2 8.593 7.399 -4.388 19 HY2 UVR 2 HY2 UVR 2 8.599 5.627 -4.397 20 HZ1 UVR 2 HZ1 UVR 2 7.791 5.887 -1.870 21 HZ2 UVR 2 HZ2 UVR 2 8.515 7.467 -1.977 22 HZ3 UVR 2 HZ3 UVR 2 9.269 5.906 -2.147 23 HQ1 UVR 3 HQ1 UVR 3 11.183 -0.894 2.082 24 HQ2 UVR 3 HQ2 UVR 3 12.332 -1.651 0.996 25 HN UVR 3 HN UVR 3 9.241 0.600 0.427 26 HA UVR 3 HA UVR 3 11.797 -0.187 -0.787 27 HB1 UVR 3 HB1 UVR 3 11.322 0.691 2.056 28 HB2 UVR 3 HB2 UVR 3 11.712 1.847 0.789 29 HD1 UVR 3 HD1 UVR 3 14.170 1.409 -0.491 30 HE1 UVR 3 HE1 UVR 3 16.395 0.660 0.565 31 HE3 UVR 3 HE3 UVR 3 12.370 -0.622 3.842 32 HZ2 UVR 3 HZ2 UVR 3 17.271 -0.624 2.921 33 HZ3 UVR 3 HZ3 UVR 3 13.968 -1.590 5.443 34 HH2 UVR 3 HH2 UVR 3 16.367 -1.591 4.991 35 H LEU 4 HN LEU 4 9.215 -1.388 2.118 36 HA LEU 4 HA LEU 4 9.346 -4.282 2.217 37 HB2 LEU 4 HB2 LEU 4 7.756 -2.363 3.931 38 HB3 LEU 4 HB1 LEU 4 7.909 -4.090 4.195 39 HG LEU 4 HG LEU 4 10.481 -2.705 4.121 40 HD11 LEU 4 HD11 LEU 4 9.381 -0.885 5.149 41 HD12 LEU 4 HD12 LEU 4 10.149 -1.793 6.452 42 HD13 LEU 4 HD13 LEU 4 8.415 -1.949 6.170 43 HD21 LEU 4 HD21 LEU 4 11.058 -4.268 5.671 44 HD22 LEU 4 HD22 LEU 4 9.685 -5.098 4.940 45 HD23 LEU 4 HD23 LEU 4 9.482 -4.229 6.462 Start of MODEL 12 1 H1 ALA 1 HN ALA 1 7.656 -1.505 1.226 2 HA ALA 1 HA ALA 1 5.627 -3.024 -0.247 3 HB1 ALA 1 HB1 ALA 1 4.056 -2.036 1.049 4 HB2 ALA 1 HB2 ALA 1 4.459 -0.563 0.167 5 HB3 ALA 1 HB3 ALA 1 5.214 -0.892 1.726 6 HN UVR 2 HN UVR 2 7.283 0.047 0.248 7 HA UVR 2 HA UVR 2 7.517 0.498 -2.611 8 HB1 UVR 2 HB1 UVR 2 7.922 2.789 -2.155 9 HB2 UVR 2 HB2 UVR 2 8.329 2.460 -0.477 10 HG1 UVR 2 HG1 UVR 2 5.591 1.732 -1.221 11 HG2 UVR 2 HG2 UVR 2 5.955 3.454 -1.341 12 HD1 UVR 2 HD1 UVR 2 7.097 2.781 1.058 13 HD2 UVR 2 HD2 UVR 2 5.658 1.761 1.023 14 HE1 UVR 2 HE1 UVR 2 5.231 4.545 0.179 15 HE2 UVR 2 HE2 UVR 2 5.689 4.336 1.871 16 HF1 UVR 2 HF1 UVR 2 3.470 2.758 0.585 17 HF2 UVR 2 HF2 UVR 2 3.203 4.316 1.384 18 HY1 UVR 2 HY1 UVR 2 4.015 0.822 1.763 19 HY2 UVR 2 HY2 UVR 2 2.877 0.869 3.119 20 HZ1 UVR 2 HZ1 UVR 2 5.068 1.353 4.567 21 HZ2 UVR 2 HZ2 UVR 2 5.900 0.582 3.246 22 HZ3 UVR 2 HZ3 UVR 2 4.687 -0.078 4.306 23 HQ1 UVR 3 HQ1 UVR 3 11.135 -0.849 2.100 24 HQ2 UVR 3 HQ2 UVR 3 12.342 -1.600 1.067 25 HN UVR 3 HN UVR 3 9.241 0.594 0.430 26 HA UVR 3 HA UVR 3 11.803 -0.196 -0.779 27 HB1 UVR 3 HB1 UVR 3 12.780 0.376 1.412 28 HB2 UVR 3 HB2 UVR 3 11.174 0.862 1.975 29 HD1 UVR 3 HD1 UVR 3 10.786 3.376 1.904 30 HE1 UVR 3 HE1 UVR 3 11.728 5.362 0.564 31 HE3 UVR 3 HE3 UVR 3 13.921 0.828 -1.229 32 HZ2 UVR 3 HZ2 UVR 3 13.557 5.791 -1.544 33 HZ3 UVR 3 HZ3 UVR 3 15.231 2.101 -2.878 34 HH2 UVR 3 HH2 UVR 3 15.051 4.531 -3.032 35 H LEU 4 HN LEU 4 9.192 -1.383 2.074 36 HA LEU 4 HA LEU 4 9.347 -4.276 2.212 37 HB2 LEU 4 HB2 LEU 4 7.740 -2.364 3.917 38 HB3 LEU 4 HB1 LEU 4 7.935 -4.085 4.199 39 HG LEU 4 HG LEU 4 10.479 -2.661 4.092 40 HD11 LEU 4 HD11 LEU 4 10.231 -1.567 6.272 41 HD12 LEU 4 HD12 LEU 4 8.510 -1.953 6.262 42 HD13 LEU 4 HD13 LEU 4 9.174 -0.854 5.054 43 HD21 LEU 4 HD21 LEU 4 10.944 -3.981 6.039 44 HD22 LEU 4 HD22 LEU 4 10.112 -4.996 4.861 45 HD23 LEU 4 HD23 LEU 4 9.234 -4.356 6.250 Start of MODEL 13 1 H1 ALA 1 HN ALA 1 7.633 -1.502 1.275 2 HA ALA 1 HA ALA 1 5.618 -3.012 -0.225 3 HB1 ALA 1 HB1 ALA 1 4.296 -0.735 0.093 4 HB2 ALA 1 HB2 ALA 1 5.265 -0.644 1.565 5 HB3 ALA 1 HB3 ALA 1 4.192 -2.018 1.300 6 HN UVR 2 HN UVR 2 7.274 0.077 0.235 7 HA UVR 2 HA UVR 2 7.533 0.444 -2.634 8 HB1 UVR 2 HB1 UVR 2 6.569 2.339 -1.229 9 HB2 UVR 2 HB2 UVR 2 7.930 2.765 -2.251 10 HG1 UVR 2 HG1 UVR 2 9.422 2.573 -0.295 11 HG2 UVR 2 HG2 UVR 2 8.011 2.250 0.713 12 HD1 UVR 2 HD1 UVR 2 8.410 4.740 -0.941 13 HD2 UVR 2 HD2 UVR 2 8.752 4.615 0.785 14 HE1 UVR 2 HE1 UVR 2 6.086 3.672 0.146 15 HE2 UVR 2 HE2 UVR 2 6.336 5.337 -0.380 16 HF1 UVR 2 HF1 UVR 2 6.846 4.279 2.402 17 HF2 UVR 2 HF2 UVR 2 5.455 5.253 1.903 18 HY1 UVR 2 HY1 UVR 2 6.247 7.680 0.714 19 HY2 UVR 2 HY2 UVR 2 7.774 7.103 0.024 20 HZ1 UVR 2 HZ1 UVR 2 8.919 8.467 1.966 21 HZ2 UVR 2 HZ2 UVR 2 7.402 9.314 2.099 22 HZ3 UVR 2 HZ3 UVR 2 8.502 9.247 0.751 23 HQ1 UVR 3 HQ1 UVR 3 11.161 -0.877 2.101 24 HQ2 UVR 3 HQ2 UVR 3 12.337 -1.620 1.033 25 HN UVR 3 HN UVR 3 9.212 0.544 0.423 26 HA UVR 3 HA UVR 3 11.798 -0.175 -0.765 27 HB1 UVR 3 HB1 UVR 3 11.282 0.707 2.070 28 HB2 UVR 3 HB2 UVR 3 11.663 1.866 0.801 29 HD1 UVR 3 HD1 UVR 3 14.144 1.550 -0.409 30 HE1 UVR 3 HE1 UVR 3 16.369 0.810 0.651 31 HE3 UVR 3 HE3 UVR 3 12.327 -0.701 3.808 32 HZ2 UVR 3 HZ2 UVR 3 17.240 -0.548 2.966 33 HZ3 UVR 3 HZ3 UVR 3 13.925 -1.697 5.394 34 HH2 UVR 3 HH2 UVR 3 16.330 -1.621 4.979 35 H LEU 4 HN LEU 4 9.196 -1.394 2.098 36 HA LEU 4 HA LEU 4 9.351 -4.286 2.206 37 HB2 LEU 4 HB2 LEU 4 7.746 -2.375 3.916 38 HB3 LEU 4 HB1 LEU 4 7.904 -4.102 4.179 39 HG LEU 4 HG LEU 4 10.467 -2.690 4.117 40 HD11 LEU 4 HD11 LEU 4 8.807 -2.221 6.559 41 HD12 LEU 4 HD12 LEU 4 8.760 -1.078 5.217 42 HD13 LEU 4 HD13 LEU 4 10.284 -1.413 6.037 43 HD21 LEU 4 HD21 LEU 4 9.229 -4.475 6.205 44 HD22 LEU 4 HD22 LEU 4 10.940 -4.103 5.987 45 HD23 LEU 4 HD23 LEU 4 10.086 -5.063 4.779 Start of MODEL 14 1 H1 ALA 1 HN ALA 1 7.651 -1.504 1.228 2 HA ALA 1 HA ALA 1 5.625 -3.024 -0.246 3 HB1 ALA 1 HB1 ALA 1 4.378 -0.642 0.130 4 HB2 ALA 1 HB2 ALA 1 5.233 -0.795 1.665 5 HB3 ALA 1 HB3 ALA 1 4.107 -2.053 1.153 6 HN UVR 2 HN UVR 2 7.286 0.045 0.248 7 HA UVR 2 HA UVR 2 7.519 0.494 -2.611 8 HB1 UVR 2 HB1 UVR 2 8.577 2.734 -1.516 9 HB2 UVR 2 HB2 UVR 2 7.458 2.278 -0.238 10 HG1 UVR 2 HG1 UVR 2 5.836 2.059 -2.372 11 HG2 UVR 2 HG2 UVR 2 6.928 3.325 -2.937 12 HD1 UVR 2 HD1 UVR 2 6.407 4.726 -1.099 13 HD2 UVR 2 HD2 UVR 2 5.579 3.419 -0.250 14 HE1 UVR 2 HE1 UVR 2 3.677 3.653 -1.459 15 HE2 UVR 2 HE2 UVR 2 4.541 4.105 -2.929 16 HF1 UVR 2 HF1 UVR 2 3.572 6.116 -2.419 17 HF2 UVR 2 HF2 UVR 2 5.083 6.277 -1.511 18 HY1 UVR 2 HY1 UVR 2 5.088 5.989 0.925 19 HY2 UVR 2 HY2 UVR 2 3.985 4.665 1.337 20 HZ1 UVR 2 HZ1 UVR 2 3.084 6.092 2.957 21 HZ2 UVR 2 HZ2 UVR 2 2.565 7.197 1.714 22 HZ3 UVR 2 HZ3 UVR 2 4.047 7.199 2.629 23 HQ1 UVR 3 HQ1 UVR 3 11.133 -0.845 2.102 24 HQ2 UVR 3 HQ2 UVR 3 12.343 -1.595 1.074 25 HN UVR 3 HN UVR 3 9.241 0.594 0.431 26 HA UVR 3 HA UVR 3 11.803 -0.195 -0.777 27 HB1 UVR 3 HB1 UVR 3 12.770 0.365 1.429 28 HB2 UVR 3 HB2 UVR 3 11.164 0.876 1.969 29 HD1 UVR 3 HD1 UVR 3 10.423 2.579 -0.680 30 HE1 UVR 3 HE1 UVR 3 11.565 4.858 -1.027 31 HE3 UVR 3 HE3 UVR 3 14.496 1.918 2.340 32 HZ2 UVR 3 HZ2 UVR 3 13.884 6.200 -0.141 33 HZ3 UVR 3 HZ3 UVR 3 16.128 3.749 2.536 34 HH2 UVR 3 HH2 UVR 3 15.827 5.845 1.320 35 H LEU 4 HN LEU 4 9.190 -1.382 2.070 36 HA LEU 4 HA LEU 4 9.348 -4.275 2.209 37 HB2 LEU 4 HB2 LEU 4 7.741 -2.364 3.915 38 HB3 LEU 4 HB1 LEU 4 7.935 -4.085 4.195 39 HG LEU 4 HG LEU 4 10.479 -2.658 4.089 40 HD11 LEU 4 HD11 LEU 4 9.676 -0.826 5.169 41 HD12 LEU 4 HD12 LEU 4 9.924 -1.876 6.565 42 HD13 LEU 4 HD13 LEU 4 8.312 -1.698 5.869 43 HD21 LEU 4 HD21 LEU 4 9.839 -5.038 4.914 44 HD22 LEU 4 HD22 LEU 4 9.407 -4.207 6.409 45 HD23 LEU 4 HD23 LEU 4 11.056 -4.109 5.789 Start of MODEL 15 1 H1 ALA 1 HN ALA 1 7.652 -1.504 1.226 2 HA ALA 1 HA ALA 1 5.627 -3.026 -0.248 3 HB1 ALA 1 HB1 ALA 1 4.050 -2.040 1.042 4 HB2 ALA 1 HB2 ALA 1 4.459 -0.560 0.174 5 HB3 ALA 1 HB3 ALA 1 5.208 -0.904 1.733 6 HN UVR 2 HN UVR 2 7.289 0.042 0.248 7 HA UVR 2 HA UVR 2 7.518 0.498 -2.610 8 HB1 UVR 2 HB1 UVR 2 8.018 2.794 -2.112 9 HB2 UVR 2 HB2 UVR 2 8.244 2.431 -0.407 10 HG1 UVR 2 HG1 UVR 2 5.636 1.632 -0.975 11 HG2 UVR 2 HG2 UVR 2 5.849 3.160 -1.831 12 HD1 UVR 2 HD1 UVR 2 6.940 3.172 0.882 13 HD2 UVR 2 HD2 UVR 2 5.198 2.901 0.818 14 HE1 UVR 2 HE1 UVR 2 5.452 4.926 -0.957 15 HE2 UVR 2 HE2 UVR 2 6.764 5.305 0.160 16 HF1 UVR 2 HF1 UVR 2 4.128 4.592 1.329 17 HF2 UVR 2 HF2 UVR 2 4.288 6.178 0.559 18 HY1 UVR 2 HY1 UVR 2 4.306 7.608 2.345 19 HY2 UVR 2 HY2 UVR 2 5.914 7.816 3.059 20 HZ1 UVR 2 HZ1 UVR 2 3.630 6.181 4.301 21 HZ2 UVR 2 HZ2 UVR 2 4.324 7.630 4.975 22 HZ3 UVR 2 HZ3 UVR 2 5.023 6.040 4.851 23 HQ1 UVR 3 HQ1 UVR 3 11.137 -0.848 2.099 24 HQ2 UVR 3 HQ2 UVR 3 12.343 -1.600 1.067 25 HN UVR 3 HN UVR 3 9.243 0.594 0.431 26 HA UVR 3 HA UVR 3 11.802 -0.197 -0.780 27 HB1 UVR 3 HB1 UVR 3 12.780 0.369 1.415 28 HB2 UVR 3 HB2 UVR 3 11.174 0.865 1.972 29 HD1 UVR 3 HD1 UVR 3 11.612 2.073 -1.478 30 HE1 UVR 3 HE1 UVR 3 12.260 4.564 -1.496 31 HE3 UVR 3 HE3 UVR 3 12.819 2.637 3.459 32 HZ2 UVR 3 HZ2 UVR 3 13.163 6.510 0.338 33 HZ3 UVR 3 HZ3 UVR 3 13.567 4.844 4.246 34 HH2 UVR 3 HH2 UVR 3 13.735 6.740 2.716 35 H LEU 4 HN LEU 4 9.191 -1.382 2.074 36 HA LEU 4 HA LEU 4 9.348 -4.275 2.212 37 HB2 LEU 4 HB2 LEU 4 7.736 -2.364 3.914 38 HB3 LEU 4 HB1 LEU 4 7.934 -4.083 4.197 39 HG LEU 4 HG LEU 4 10.476 -2.658 4.093 40 HD11 LEU 4 HD11 LEU 4 8.983 -2.090 6.586 41 HD12 LEU 4 HD12 LEU 4 8.631 -1.080 5.184 42 HD13 LEU 4 HD13 LEU 4 10.278 -1.183 5.805 43 HD21 LEU 4 HD21 LEU 4 9.310 -4.259 6.351 44 HD22 LEU 4 HD22 LEU 4 11.004 -4.037 5.917 45 HD23 LEU 4 HD23 LEU 4 9.955 -5.019 4.897 Start of MODEL 16 1 H1 ALA 1 HN ALA 1 7.661 -1.505 1.219 2 HA ALA 1 HA ALA 1 5.614 -3.018 -0.236 3 HB1 ALA 1 HB1 ALA 1 4.872 -0.282 0.573 4 HB2 ALA 1 HB2 ALA 1 4.966 -1.436 1.903 5 HB3 ALA 1 HB3 ALA 1 3.896 -1.750 0.537 6 HN UVR 2 HN UVR 2 7.314 0.031 0.243 7 HA UVR 2 HA UVR 2 7.522 0.473 -2.615 8 HB1 UVR 2 HB1 UVR 2 7.309 2.252 -0.275 9 HB2 UVR 2 HB2 UVR 2 6.852 2.554 -1.943 10 HG1 UVR 2 HG1 UVR 2 9.665 2.678 -0.889 11 HG2 UVR 2 HG2 UVR 2 8.608 4.070 -1.120 12 HD1 UVR 2 HD1 UVR 2 8.483 2.798 -3.555 13 HD2 UVR 2 HD2 UVR 2 10.162 2.557 -3.071 14 HE1 UVR 2 HE1 UVR 2 10.571 4.615 -3.819 15 HE2 UVR 2 HE2 UVR 2 9.640 5.215 -2.446 16 HF1 UVR 2 HF1 UVR 2 8.314 4.415 -5.023 17 HF2 UVR 2 HF2 UVR 2 8.965 6.041 -4.771 18 HY1 UVR 2 HY1 UVR 2 7.687 7.627 -3.641 19 HY2 UVR 2 HY2 UVR 2 7.460 7.018 -1.993 20 HZ1 UVR 2 HZ1 UVR 2 4.997 6.738 -2.474 21 HZ2 UVR 2 HZ2 UVR 2 5.216 7.404 -4.069 22 HZ3 UVR 2 HZ3 UVR 2 5.373 8.193 -2.523 23 HQ1 UVR 3 HQ1 UVR 3 11.124 -0.840 2.107 24 HQ2 UVR 3 HQ2 UVR 3 12.344 -1.586 1.085 25 HN UVR 3 HN UVR 3 9.243 0.606 0.431 26 HA UVR 3 HA UVR 3 11.810 -0.184 -0.768 27 HB1 UVR 3 HB1 UVR 3 12.750 0.348 1.469 28 HB2 UVR 3 HB2 UVR 3 11.144 0.900 1.967 29 HD1 UVR 3 HD1 UVR 3 10.408 3.319 1.243 30 HE1 UVR 3 HE1 UVR 3 11.648 5.291 0.149 31 HE3 UVR 3 HE3 UVR 3 14.627 0.873 -0.294 32 HZ2 UVR 3 HZ2 UVR 3 14.093 5.749 -1.189 33 HZ3 UVR 3 HZ3 UVR 3 16.367 2.150 -1.474 34 HH2 UVR 3 HH2 UVR 3 16.104 4.539 -1.912 35 H LEU 4 HN LEU 4 9.188 -1.385 2.069 36 HA LEU 4 HA LEU 4 9.348 -4.279 2.190 37 HB2 LEU 4 HB2 LEU 4 7.749 -2.387 3.922 38 HB3 LEU 4 HB1 LEU 4 7.954 -4.109 4.188 39 HG LEU 4 HG LEU 4 10.489 -2.668 4.075 40 HD11 LEU 4 HD11 LEU 4 10.160 -1.724 6.398 41 HD12 LEU 4 HD12 LEU 4 8.427 -1.912 6.129 42 HD13 LEU 4 HD13 LEU 4 9.371 -0.849 5.085 43 HD21 LEU 4 HD21 LEU 4 9.886 -5.055 4.882 44 HD22 LEU 4 HD22 LEU 4 9.429 -4.249 6.382 45 HD23 LEU 4 HD23 LEU 4 11.081 -4.118 5.779 Start of MODEL 17 1 H1 ALA 1 HN ALA 1 7.673 -1.511 1.214 2 HA ALA 1 HA ALA 1 5.636 -3.025 -0.251 3 HB1 ALA 1 HB1 ALA 1 5.082 -0.285 0.869 4 HB2 ALA 1 HB2 ALA 1 4.736 -1.736 1.810 5 HB3 ALA 1 HB3 ALA 1 3.937 -1.480 0.259 6 HN UVR 2 HN UVR 2 7.280 0.055 0.245 7 HA UVR 2 HA UVR 2 7.515 0.501 -2.613 8 HB1 UVR 2 HB1 UVR 2 7.304 2.264 -0.265 9 HB2 UVR 2 HB2 UVR 2 6.882 2.590 -1.938 10 HG1 UVR 2 HG1 UVR 2 9.477 2.720 -2.253 11 HG2 UVR 2 HG2 UVR 2 9.456 3.023 -0.515 12 HD1 UVR 2 HD1 UVR 2 9.041 5.160 -0.984 13 HD2 UVR 2 HD2 UVR 2 7.443 4.652 -1.533 14 HE1 UVR 2 HE1 UVR 2 9.901 4.759 -3.276 15 HE2 UVR 2 HE2 UVR 2 8.668 6.018 -3.201 16 HF1 UVR 2 HF1 UVR 2 7.237 4.855 -4.489 17 HF2 UVR 2 HF2 UVR 2 7.595 3.330 -3.666 18 HY1 UVR 2 HY1 UVR 2 8.065 5.305 -6.550 19 HY2 UVR 2 HY2 UVR 2 8.803 3.947 -7.415 20 HZ1 UVR 2 HZ1 UVR 2 10.941 4.956 -7.305 21 HZ2 UVR 2 HZ2 UVR 2 10.651 5.717 -5.766 22 HZ3 UVR 2 HZ3 UVR 2 10.157 6.238 -7.353 23 HQ1 UVR 3 HQ1 UVR 3 11.181 -0.895 2.083 24 HQ2 UVR 3 HQ2 UVR 3 12.332 -1.651 0.997 25 HN UVR 3 HN UVR 3 9.245 0.607 0.428 26 HA UVR 3 HA UVR 3 11.795 -0.188 -0.787 27 HB1 UVR 3 HB1 UVR 3 11.336 0.682 2.060 28 HB2 UVR 3 HB2 UVR 3 11.700 1.849 0.792 29 HD1 UVR 3 HD1 UVR 3 13.841 -0.504 -0.501 30 HE1 UVR 3 HE1 UVR 3 16.205 -0.477 0.517 31 HE3 UVR 3 HE3 UVR 3 12.845 2.072 3.803 32 HZ2 UVR 3 HZ2 UVR 3 17.480 0.506 2.836 33 HZ3 UVR 3 HZ3 UVR 3 14.692 2.514 5.366 34 HH2 UVR 3 HH2 UVR 3 16.961 1.747 4.892 35 H LEU 4 HN LEU 4 9.216 -1.389 2.118 36 HA LEU 4 HA LEU 4 9.346 -4.282 2.215 37 HB2 LEU 4 HB2 LEU 4 7.766 -2.361 3.936 38 HB3 LEU 4 HB1 LEU 4 7.911 -4.090 4.196 39 HG LEU 4 HG LEU 4 10.487 -2.704 4.117 40 HD11 LEU 4 HD11 LEU 4 9.758 -0.913 5.287 41 HD12 LEU 4 HD12 LEU 4 9.897 -2.033 6.641 42 HD13 LEU 4 HD13 LEU 4 8.327 -1.749 5.891 43 HD21 LEU 4 HD21 LEU 4 9.250 -4.458 6.230 44 HD22 LEU 4 HD22 LEU 4 10.962 -4.119 5.979 45 HD23 LEU 4 HD23 LEU 4 10.070 -5.074 4.795 Start of MODEL 18 1 H1 ALA 1 HN ALA 1 7.667 -1.508 1.223 2 HA ALA 1 HA ALA 1 5.635 -3.025 -0.248 3 HB1 ALA 1 HB1 ALA 1 4.352 -2.018 1.490 4 HB2 ALA 1 HB2 ALA 1 4.146 -0.975 0.083 5 HB3 ALA 1 HB3 ALA 1 5.252 -0.505 1.373 6 HN UVR 2 HN UVR 2 7.284 0.050 0.246 7 HA UVR 2 HA UVR 2 7.518 0.500 -2.613 8 HB1 UVR 2 HB1 UVR 2 7.940 2.792 -2.150 9 HB2 UVR 2 HB2 UVR 2 8.309 2.457 -0.464 10 HG1 UVR 2 HG1 UVR 2 5.626 1.639 -1.039 11 HG2 UVR 2 HG2 UVR 2 5.871 3.305 -1.564 12 HD1 UVR 2 HD1 UVR 2 7.067 3.447 0.817 13 HD2 UVR 2 HD2 UVR 2 5.927 2.145 1.161 14 HE1 UVR 2 HE1 UVR 2 4.467 3.785 1.603 15 HE2 UVR 2 HE2 UVR 2 4.353 3.961 -0.149 16 HF1 UVR 2 HF1 UVR 2 6.574 5.392 1.190 17 HF2 UVR 2 HF2 UVR 2 4.939 6.006 1.476 18 HY1 UVR 2 HY1 UVR 2 7.237 4.891 -1.188 19 HY2 UVR 2 HY2 UVR 2 7.334 6.600 -1.651 20 HZ1 UVR 2 HZ1 UVR 2 6.525 4.569 -3.403 21 HZ2 UVR 2 HZ2 UVR 2 5.970 6.208 -3.601 22 HZ3 UVR 2 HZ3 UVR 2 5.151 4.857 -2.865 23 HQ1 UVR 3 HQ1 UVR 3 11.186 -0.896 2.082 24 HQ2 UVR 3 HQ2 UVR 3 12.333 -1.652 0.992 25 HN UVR 3 HN UVR 3 9.241 0.598 0.428 26 HA UVR 3 HA UVR 3 11.796 -0.186 -0.787 27 HB1 UVR 3 HB1 UVR 3 11.325 0.690 2.058 28 HB2 UVR 3 HB2 UVR 3 11.716 1.848 0.790 29 HD1 UVR 3 HD1 UVR 3 14.186 1.564 -0.403 30 HE1 UVR 3 HE1 UVR 3 16.405 0.745 0.613 31 HE3 UVR 3 HE3 UVR 3 12.354 -0.845 3.717 32 HZ2 UVR 3 HZ2 UVR 3 17.265 -0.725 2.864 33 HZ3 UVR 3 HZ3 UVR 3 13.941 -1.932 5.252 34 HH2 UVR 3 HH2 UVR 3 16.346 -1.872 4.833 35 H LEU 4 HN LEU 4 9.217 -1.388 2.119 36 HA LEU 4 HA LEU 4 9.347 -4.282 2.215 37 HB2 LEU 4 HB2 LEU 4 7.750 -2.371 3.930 38 HB3 LEU 4 HB1 LEU 4 7.915 -4.096 4.195 39 HG LEU 4 HG LEU 4 10.483 -2.708 4.119 40 HD11 LEU 4 HD11 LEU 4 10.315 -1.352 5.973 41 HD12 LEU 4 HD12 LEU 4 8.855 -2.148 6.557 42 HD13 LEU 4 HD13 LEU 4 8.770 -1.054 5.176 43 HD21 LEU 4 HD21 LEU 4 9.340 -4.291 6.389 44 HD22 LEU 4 HD22 LEU 4 11.014 -4.164 5.849 45 HD23 LEU 4 HD23 LEU 4 9.847 -5.084 4.898 Start of MODEL 19 1 H1 ALA 1 HN ALA 1 7.664 -1.507 1.213 2 HA ALA 1 HA ALA 1 5.625 -3.023 -0.246 3 HB1 ALA 1 HB1 ALA 1 4.578 -1.874 1.719 4 HB2 ALA 1 HB2 ALA 1 3.989 -1.278 0.167 5 HB3 ALA 1 HB3 ALA 1 5.169 -0.339 1.083 6 HN UVR 2 HN UVR 2 7.294 0.041 0.246 7 HA UVR 2 HA UVR 2 7.517 0.493 -2.612 8 HB1 UVR 2 HB1 UVR 2 7.303 2.259 -0.266 9 HB2 UVR 2 HB2 UVR 2 6.881 2.582 -1.940 10 HG1 UVR 2 HG1 UVR 2 9.298 2.934 -2.417 11 HG2 UVR 2 HG2 UVR 2 9.607 2.780 -0.686 12 HD1 UVR 2 HD1 UVR 2 8.735 4.813 -0.208 13 HD2 UVR 2 HD2 UVR 2 7.498 4.693 -1.461 14 HE1 UVR 2 HE1 UVR 2 8.775 5.724 -2.995 15 HE2 UVR 2 HE2 UVR 2 10.236 4.873 -2.489 16 HF1 UVR 2 HF1 UVR 2 10.921 6.608 -1.255 17 HF2 UVR 2 HF2 UVR 2 9.341 6.761 -0.473 18 HY1 UVR 2 HY1 UVR 2 8.277 9.554 -2.642 19 HY2 UVR 2 HY2 UVR 2 8.822 9.421 -0.961 20 HZ1 UVR 2 HZ1 UVR 2 7.364 7.133 -1.073 21 HZ2 UVR 2 HZ2 UVR 2 6.465 8.048 -2.253 22 HZ3 UVR 2 HZ3 UVR 2 6.741 8.406 -0.571 23 HQ1 UVR 3 HQ1 UVR 3 11.133 -0.847 2.102 24 HQ2 UVR 3 HQ2 UVR 3 12.342 -1.596 1.071 25 HN UVR 3 HN UVR 3 9.244 0.603 0.430 26 HA UVR 3 HA UVR 3 11.803 -0.193 -0.777 27 HB1 UVR 3 HB1 UVR 3 12.780 0.378 1.414 28 HB2 UVR 3 HB2 UVR 3 11.173 0.863 1.978 29 HD1 UVR 3 HD1 UVR 3 11.230 3.405 2.219 30 HE1 UVR 3 HE1 UVR 3 11.995 5.381 0.757 31 HE3 UVR 3 HE3 UVR 3 13.304 0.794 -1.657 32 HZ2 UVR 3 HZ2 UVR 3 13.305 5.780 -1.711 33 HZ3 UVR 3 HZ3 UVR 3 14.292 2.049 -3.529 34 HH2 UVR 3 HH2 UVR 3 14.291 4.490 -3.555 35 H LEU 4 HN LEU 4 9.190 -1.383 2.073 36 HA LEU 4 HA LEU 4 9.348 -4.277 2.204 37 HB2 LEU 4 HB2 LEU 4 7.751 -2.370 3.923 38 HB3 LEU 4 HB1 LEU 4 7.944 -4.092 4.197 39 HG LEU 4 HG LEU 4 10.487 -2.662 4.082 40 HD11 LEU 4 HD11 LEU 4 8.326 -1.704 5.863 41 HD12 LEU 4 HD12 LEU 4 9.710 -0.842 5.190 42 HD13 LEU 4 HD13 LEU 4 9.926 -1.909 6.576 43 HD21 LEU 4 HD21 LEU 4 10.890 -3.957 6.123 44 HD22 LEU 4 HD22 LEU 4 10.277 -4.971 4.817 45 HD23 LEU 4 HD23 LEU 4 9.204 -4.473 6.125 Start of MODEL 20 1 H1 ALA 1 HN ALA 1 7.655 -1.505 1.225 2 HA ALA 1 HA ALA 1 5.626 -3.025 -0.247 3 HB1 ALA 1 HB1 ALA 1 4.334 -2.019 1.481 4 HB2 ALA 1 HB2 ALA 1 4.144 -0.963 0.081 5 HB3 ALA 1 HB3 ALA 1 5.244 -0.513 1.384 6 HN UVR 2 HN UVR 2 7.285 0.045 0.249 7 HA UVR 2 HA UVR 2 7.518 0.497 -2.611 8 HB1 UVR 2 HB1 UVR 2 7.924 2.788 -2.153 9 HB2 UVR 2 HB2 UVR 2 8.329 2.458 -0.474 10 HG1 UVR 2 HG1 UVR 2 6.245 2.848 0.152 11 HG2 UVR 2 HG2 UVR 2 5.639 1.633 -0.975 12 HD1 UVR 2 HD1 UVR 2 5.756 3.339 -2.784 13 HD2 UVR 2 HD2 UVR 2 6.188 4.539 -1.563 14 HE1 UVR 2 HE1 UVR 2 3.643 2.918 -1.618 15 HE2 UVR 2 HE2 UVR 2 3.796 4.612 -2.087 16 HF1 UVR 2 HF1 UVR 2 4.447 3.547 0.661 17 HF2 UVR 2 HF2 UVR 2 2.908 4.296 0.215 18 HY1 UVR 2 HY1 UVR 2 4.023 7.662 -0.058 19 HY2 UVR 2 HY2 UVR 2 3.290 6.530 -1.207 20 HZ1 UVR 2 HZ1 UVR 2 5.627 8.096 -1.696 21 HZ2 UVR 2 HZ2 UVR 2 5.179 6.712 -2.653 22 HZ3 UVR 2 HZ3 UVR 2 6.296 6.803 -1.319 23 HQ1 UVR 3 HQ1 UVR 3 11.135 -0.847 2.101 24 HQ2 UVR 3 HQ2 UVR 3 12.343 -1.598 1.070 25 HN UVR 3 HN UVR 3 9.242 0.596 0.431 26 HA UVR 3 HA UVR 3 11.803 -0.196 -0.779 27 HB1 UVR 3 HB1 UVR 3 12.779 0.374 1.414 28 HB2 UVR 3 HB2 UVR 3 11.172 0.866 1.973 29 HD1 UVR 3 HD1 UVR 3 12.361 1.910 -1.503 30 HE1 UVR 3 HE1 UVR 3 12.701 4.461 -1.527 31 HE3 UVR 3 HE3 UVR 3 11.755 2.858 3.485 32 HZ2 UVR 3 HZ2 UVR 3 12.710 6.593 0.323 33 HZ3 UVR 3 HZ3 UVR 3 11.945 5.180 4.275 34 HH2 UVR 3 HH2 UVR 3 12.414 7.008 2.726 35 H LEU 4 HN LEU 4 9.191 -1.382 2.072 36 HA LEU 4 HA LEU 4 9.347 -4.275 2.210 37 HB2 LEU 4 HB2 LEU 4 7.738 -2.366 3.915 38 HB3 LEU 4 HB1 LEU 4 7.938 -4.085 4.197 39 HG LEU 4 HG LEU 4 10.479 -2.659 4.089 40 HD11 LEU 4 HD11 LEU 4 9.725 -0.823 5.175 41 HD12 LEU 4 HD12 LEU 4 9.881 -1.882 6.577 42 HD13 LEU 4 HD13 LEU 4 8.306 -1.651 5.817 43 HD21 LEU 4 HD21 LEU 4 10.040 -5.007 4.874 44 HD22 LEU 4 HD22 LEU 4 9.273 -4.306 6.299 45 HD23 LEU 4 HD23 LEU 4 10.980 -4.004 5.979 Start of MODEL 21 1 H1 ALA 1 HN ALA 1 7.671 -1.511 1.220 2 HA ALA 1 HA ALA 1 5.639 -3.025 -0.251 3 HB1 ALA 1 HB1 ALA 1 4.646 -1.824 1.754 4 HB2 ALA 1 HB2 ALA 1 3.972 -1.362 0.191 5 HB3 ALA 1 HB3 ALA 1 5.143 -0.313 0.992 6 HN UVR 2 HN UVR 2 7.276 0.058 0.245 7 HA UVR 2 HA UVR 2 7.516 0.504 -2.613 8 HB1 UVR 2 HB1 UVR 2 8.316 2.797 -1.918 9 HB2 UVR 2 HB2 UVR 2 7.940 2.358 -0.258 10 HG1 UVR 2 HG1 UVR 2 5.860 2.252 -2.414 11 HG2 UVR 2 HG2 UVR 2 6.231 3.746 -1.551 12 HD1 UVR 2 HD1 UVR 2 5.949 1.775 0.425 13 HD2 UVR 2 HD2 UVR 2 4.631 1.504 -0.716 14 HE1 UVR 2 HE1 UVR 2 5.290 4.115 0.645 15 HE2 UVR 2 HE2 UVR 2 3.951 3.039 1.053 16 HF1 UVR 2 HF1 UVR 2 2.714 4.230 -0.381 17 HF2 UVR 2 HF2 UVR 2 3.655 3.471 -1.673 18 HY1 UVR 2 HY1 UVR 2 5.374 4.945 -2.908 19 HY2 UVR 2 HY2 UVR 2 5.219 6.683 -2.598 20 HZ1 UVR 2 HZ1 UVR 2 2.572 5.452 -3.015 21 HZ2 UVR 2 HZ2 UVR 2 3.580 5.298 -4.428 22 HZ3 UVR 2 HZ3 UVR 2 3.061 6.745 -3.608 23 HQ1 UVR 3 HQ1 UVR 3 11.183 -0.896 2.081 24 HQ2 UVR 3 HQ2 UVR 3 12.330 -1.653 0.992 25 HN UVR 3 HN UVR 3 9.241 0.600 0.427 26 HA UVR 3 HA UVR 3 11.795 -0.187 -0.788 27 HB1 UVR 3 HB1 UVR 3 11.323 0.689 2.055 28 HB2 UVR 3 HB2 UVR 3 11.713 1.846 0.788 29 HD1 UVR 3 HD1 UVR 3 13.881 -0.375 -0.551 30 HE1 UVR 3 HE1 UVR 3 16.218 -0.436 0.527 31 HE3 UVR 3 HE3 UVR 3 12.771 1.844 3.920 32 HZ2 UVR 3 HZ2 UVR 3 17.430 0.353 2.952 33 HZ3 UVR 3 HZ3 UVR 3 14.576 2.152 5.564 34 HH2 UVR 3 HH2 UVR 3 16.857 1.422 5.088 35 H LEU 4 HN LEU 4 9.216 -1.388 2.121 36 HA LEU 4 HA LEU 4 9.345 -4.283 2.218 37 HB2 LEU 4 HB2 LEU 4 7.747 -2.371 3.930 38 HB3 LEU 4 HB1 LEU 4 7.917 -4.095 4.198 39 HG LEU 4 HG LEU 4 10.482 -2.705 4.121 40 HD11 LEU 4 HD11 LEU 4 10.299 -1.258 5.862 41 HD12 LEU 4 HD12 LEU 4 8.969 -2.146 6.607 42 HD13 LEU 4 HD13 LEU 4 8.665 -1.106 5.215 43 HD21 LEU 4 HD21 LEU 4 9.270 -4.328 6.341 44 HD22 LEU 4 HD22 LEU 4 10.975 -4.103 5.949 45 HD23 LEU 4 HD23 LEU 4 9.945 -5.066 4.889 Start of MODEL 22 1 H1 ALA 1 HN ALA 1 7.660 -1.504 1.221 2 HA ALA 1 HA ALA 1 5.624 -3.021 -0.244 3 HB1 ALA 1 HB1 ALA 1 4.153 -2.052 1.230 4 HB2 ALA 1 HB2 ALA 1 4.330 -0.699 0.113 5 HB3 ALA 1 HB3 ALA 1 5.251 -0.727 1.617 6 HN UVR 2 HN UVR 2 7.292 0.045 0.244 7 HA UVR 2 HA UVR 2 7.517 0.489 -2.614 8 HB1 UVR 2 HB1 UVR 2 7.309 2.260 -0.270 9 HB2 UVR 2 HB2 UVR 2 6.869 2.574 -1.941 10 HG1 UVR 2 HG1 UVR 2 9.457 2.716 -2.286 11 HG2 UVR 2 HG2 UVR 2 9.457 3.024 -0.548 12 HD1 UVR 2 HD1 UVR 2 9.348 5.152 -1.538 13 HD2 UVR 2 HD2 UVR 2 7.694 4.803 -1.028 14 HE1 UVR 2 HE1 UVR 2 7.664 3.779 -3.529 15 HE2 UVR 2 HE2 UVR 2 8.821 5.094 -3.734 16 HF1 UVR 2 HF1 UVR 2 6.624 6.072 -2.205 17 HF2 UVR 2 HF2 UVR 2 5.987 5.241 -3.631 18 HY1 UVR 2 HY1 UVR 2 8.583 8.543 -4.351 19 HY2 UVR 2 HY2 UVR 2 9.379 6.973 -4.146 20 HZ1 UVR 2 HZ1 UVR 2 8.540 8.909 -2.032 21 HZ2 UVR 2 HZ2 UVR 2 9.657 7.582 -1.873 22 HZ3 UVR 2 HZ3 UVR 2 7.923 7.578 -1.702 23 HQ1 UVR 3 HQ1 UVR 3 11.139 -0.850 2.101 24 HQ2 UVR 3 HQ2 UVR 3 12.344 -1.599 1.066 25 HN UVR 3 HN UVR 3 9.242 0.601 0.431 26 HA UVR 3 HA UVR 3 11.803 -0.192 -0.776 27 HB1 UVR 3 HB1 UVR 3 12.787 0.387 1.404 28 HB2 UVR 3 HB2 UVR 3 11.180 0.852 1.985 29 HD1 UVR 3 HD1 UVR 3 11.234 3.394 2.251 30 HE1 UVR 3 HE1 UVR 3 11.959 5.386 0.792 31 HE3 UVR 3 HE3 UVR 3 13.252 0.828 -1.684 32 HZ2 UVR 3 HZ2 UVR 3 13.217 5.814 -1.697 33 HZ3 UVR 3 HZ3 UVR 3 14.197 2.104 -3.565 34 HH2 UVR 3 HH2 UVR 3 14.177 4.546 -3.569 35 H LEU 4 HN LEU 4 9.192 -1.384 2.074 36 HA LEU 4 HA LEU 4 9.347 -4.277 2.205 37 HB2 LEU 4 HB2 LEU 4 7.745 -2.369 3.918 38 HB3 LEU 4 HB1 LEU 4 7.937 -4.090 4.193 39 HG LEU 4 HG LEU 4 10.483 -2.666 4.090 40 HD11 LEU 4 HD11 LEU 4 9.006 -2.123 6.596 41 HD12 LEU 4 HD12 LEU 4 8.635 -1.103 5.206 42 HD13 LEU 4 HD13 LEU 4 10.289 -1.203 5.810 43 HD21 LEU 4 HD21 LEU 4 9.845 -5.046 4.909 44 HD22 LEU 4 HD22 LEU 4 9.408 -4.220 6.404 45 HD23 LEU 4 HD23 LEU 4 11.058 -4.119 5.792 Start of MODEL 23 1 H1 ALA 1 HN ALA 1 7.623 -1.500 1.277 2 HA ALA 1 HA ALA 1 5.614 -3.014 -0.227 3 HB1 ALA 1 HB1 ALA 1 4.038 -2.003 1.039 4 HB2 ALA 1 HB2 ALA 1 4.479 -0.527 0.180 5 HB3 ALA 1 HB3 ALA 1 5.207 -0.887 1.745 6 HN UVR 2 HN UVR 2 7.283 0.066 0.236 7 HA UVR 2 HA UVR 2 7.534 0.437 -2.630 8 HB1 UVR 2 HB1 UVR 2 6.544 2.323 -1.250 9 HB2 UVR 2 HB2 UVR 2 7.918 2.763 -2.251 10 HG1 UVR 2 HG1 UVR 2 8.301 3.847 -0.235 11 HG2 UVR 2 HG2 UVR 2 9.335 2.425 -0.153 12 HD1 UVR 2 HD1 UVR 2 8.288 1.689 1.673 13 HD2 UVR 2 HD2 UVR 2 6.713 1.835 0.891 14 HE1 UVR 2 HE1 UVR 2 6.340 3.941 1.717 15 HE2 UVR 2 HE2 UVR 2 8.060 4.310 1.848 16 HF1 UVR 2 HF1 UVR 2 7.550 4.040 4.066 17 HF2 UVR 2 HF2 UVR 2 7.978 2.373 3.650 18 HY1 UVR 2 HY1 UVR 2 6.158 0.771 4.640 19 HY2 UVR 2 HY2 UVR 2 4.640 1.548 5.116 20 HZ1 UVR 2 HZ1 UVR 2 5.813 2.930 6.770 21 HZ2 UVR 2 HZ2 UVR 2 7.383 2.465 6.177 22 HZ3 UVR 2 HZ3 UVR 2 6.230 1.518 7.075 23 HQ1 UVR 3 HQ1 UVR 3 11.126 -0.838 2.113 24 HQ2 UVR 3 HQ2 UVR 3 12.347 -1.579 1.090 25 HN UVR 3 HN UVR 3 9.211 0.527 0.426 26 HA UVR 3 HA UVR 3 11.802 -0.189 -0.764 27 HB1 UVR 3 HB1 UVR 3 12.754 0.404 1.434 28 HB2 UVR 3 HB2 UVR 3 11.138 0.876 1.980 29 HD1 UVR 3 HD1 UVR 3 11.157 3.419 2.202 30 HE1 UVR 3 HE1 UVR 3 11.919 5.395 0.739 31 HE3 UVR 3 HE3 UVR 3 13.316 0.809 -1.627 32 HZ2 UVR 3 HZ2 UVR 3 13.259 5.794 -1.714 33 HZ3 UVR 3 HZ3 UVR 3 14.316 2.063 -3.494 34 HH2 UVR 3 HH2 UVR 3 14.287 4.504 -3.534 35 H LEU 4 HN LEU 4 9.178 -1.388 2.060 36 HA LEU 4 HA LEU 4 9.351 -4.280 2.211 37 HB2 LEU 4 HB2 LEU 4 7.728 -2.368 3.901 38 HB3 LEU 4 HB1 LEU 4 7.919 -4.089 4.185 39 HG LEU 4 HG LEU 4 10.458 -2.649 4.098 40 HD11 LEU 4 HD11 LEU 4 8.399 -1.941 6.177 41 HD12 LEU 4 HD12 LEU 4 9.265 -0.848 5.097 42 HD13 LEU 4 HD13 LEU 4 10.132 -1.683 6.386 43 HD21 LEU 4 HD21 LEU 4 9.141 -4.527 6.053 44 HD22 LEU 4 HD22 LEU 4 10.795 -3.933 6.194 45 HD23 LEU 4 HD23 LEU 4 10.334 -4.937 4.819 Start of MODEL 24 1 H1 ALA 1 HN ALA 1 7.654 -1.504 1.226 2 HA ALA 1 HA ALA 1 5.626 -3.024 -0.246 3 HB1 ALA 1 HB1 ALA 1 4.217 -2.053 1.328 4 HB2 ALA 1 HB2 ALA 1 4.253 -0.798 0.089 5 HB3 ALA 1 HB3 ALA 1 5.253 -0.641 1.533 6 HN UVR 2 HN UVR 2 7.287 0.044 0.248 7 HA UVR 2 HA UVR 2 7.518 0.496 -2.611 8 HB1 UVR 2 HB1 UVR 2 7.921 2.786 -2.157 9 HB2 UVR 2 HB2 UVR 2 8.330 2.459 -0.478 10 HG1 UVR 2 HG1 UVR 2 6.174 3.581 -0.687 11 HG2 UVR 2 HG2 UVR 2 6.007 1.973 0.021 12 HD1 UVR 2 HD1 UVR 2 4.291 1.951 -1.506 13 HD2 UVR 2 HD2 UVR 2 5.598 1.254 -2.465 14 HE1 UVR 2 HE1 UVR 2 5.711 3.031 -3.846 15 HE2 UVR 2 HE2 UVR 2 5.419 4.188 -2.545 16 HF1 UVR 2 HF1 UVR 2 3.480 4.415 -3.768 17 HF2 UVR 2 HF2 UVR 2 2.996 3.168 -2.609 18 HY1 UVR 2 HY1 UVR 2 4.546 3.600 -5.955 19 HY2 UVR 2 HY2 UVR 2 2.921 3.194 -6.531 20 HZ1 UVR 2 HZ1 UVR 2 3.894 1.389 -7.653 21 HZ2 UVR 2 HZ2 UVR 2 4.435 0.710 -6.143 22 HZ3 UVR 2 HZ3 UVR 2 5.280 1.781 -7.225 23 HQ1 UVR 3 HQ1 UVR 3 11.134 -0.845 2.101 24 HQ2 UVR 3 HQ2 UVR 3 12.344 -1.597 1.072 25 HN UVR 3 HN UVR 3 9.242 0.595 0.430 26 HA UVR 3 HA UVR 3 11.803 -0.195 -0.778 27 HB1 UVR 3 HB1 UVR 3 12.778 0.376 1.415 28 HB2 UVR 3 HB2 UVR 3 11.171 0.867 1.973 29 HD1 UVR 3 HD1 UVR 3 13.567 1.892 -0.924 30 HE1 UVR 3 HE1 UVR 3 13.436 4.451 -1.174 31 HE3 UVR 3 HE3 UVR 3 10.081 2.884 2.683 32 HZ2 UVR 3 HZ2 UVR 3 12.040 6.605 0.003 33 HZ3 UVR 3 HZ3 UVR 3 9.404 5.219 3.058 34 HH2 UVR 3 HH2 UVR 3 10.364 7.041 1.745 35 H LEU 4 HN LEU 4 9.190 -1.382 2.072 36 HA LEU 4 HA LEU 4 9.348 -4.276 2.209 37 HB2 LEU 4 HB2 LEU 4 7.737 -2.368 3.916 38 HB3 LEU 4 HB1 LEU 4 7.939 -4.087 4.196 39 HG LEU 4 HG LEU 4 10.480 -2.658 4.089 40 HD11 LEU 4 HD11 LEU 4 10.276 -1.162 5.771 41 HD12 LEU 4 HD12 LEU 4 9.027 -2.095 6.597 42 HD13 LEU 4 HD13 LEU 4 8.608 -1.102 5.202 43 HD21 LEU 4 HD21 LEU 4 10.047 -5.007 4.873 44 HD22 LEU 4 HD22 LEU 4 9.272 -4.310 6.296 45 HD23 LEU 4 HD23 LEU 4 10.980 -4.001 5.981 Start of MODEL 25 1 H1 ALA 1 HN ALA 1 7.656 -1.506 1.224 2 HA ALA 1 HA ALA 1 5.626 -3.024 -0.247 3 HB1 ALA 1 HB1 ALA 1 5.213 -0.895 1.731 4 HB2 ALA 1 HB2 ALA 1 4.055 -2.037 1.049 5 HB3 ALA 1 HB3 ALA 1 4.458 -0.561 0.172 6 HN UVR 2 HN UVR 2 7.285 0.046 0.248 7 HA UVR 2 HA UVR 2 7.518 0.496 -2.611 8 HB1 UVR 2 HB1 UVR 2 8.460 2.771 -1.744 9 HB2 UVR 2 HB2 UVR 2 7.718 2.311 -0.218 10 HG1 UVR 2 HG1 UVR 2 5.554 2.372 -1.129 11 HG2 UVR 2 HG2 UVR 2 6.165 2.398 -2.784 12 HD1 UVR 2 HD1 UVR 2 7.039 4.623 -2.480 13 HD2 UVR 2 HD2 UVR 2 6.596 4.601 -0.772 14 HE1 UVR 2 HE1 UVR 2 4.550 5.328 -1.246 15 HE2 UVR 2 HE2 UVR 2 4.294 3.986 -2.362 16 HF1 UVR 2 HF1 UVR 2 5.734 6.541 -3.072 17 HF2 UVR 2 HF2 UVR 2 4.032 6.212 -3.430 18 HY1 UVR 2 HY1 UVR 2 3.394 4.741 -5.119 19 HY2 UVR 2 HY2 UVR 2 4.529 3.557 -5.789 20 HZ1 UVR 2 HZ1 UVR 2 3.812 6.259 -6.871 21 HZ2 UVR 2 HZ2 UVR 2 4.513 4.918 -7.734 22 HZ3 UVR 2 HZ3 UVR 2 5.310 6.151 -6.798 23 HQ1 UVR 3 HQ1 UVR 3 11.135 -0.847 2.101 24 HQ2 UVR 3 HQ2 UVR 3 12.342 -1.599 1.069 25 HN UVR 3 HN UVR 3 9.242 0.594 0.430 26 HA UVR 3 HA UVR 3 11.803 -0.196 -0.779 27 HB1 UVR 3 HB1 UVR 3 12.780 0.376 1.411 28 HB2 UVR 3 HB2 UVR 3 11.173 0.864 1.973 29 HD1 UVR 3 HD1 UVR 3 10.303 3.249 1.269 30 HE1 UVR 3 HE1 UVR 3 11.436 5.282 0.169 31 HE3 UVR 3 HE3 UVR 3 14.600 1.004 -0.356 32 HZ2 UVR 3 HZ2 UVR 3 13.833 5.858 -1.204 33 HZ3 UVR 3 HZ3 UVR 3 16.261 2.367 -1.554 34 HH2 UVR 3 HH2 UVR 3 15.884 4.743 -1.969 35 H LEU 4 HN LEU 4 9.190 -1.383 2.073 36 HA LEU 4 HA LEU 4 9.347 -4.276 2.209 37 HB2 LEU 4 HB2 LEU 4 7.738 -2.368 3.917 38 HB3 LEU 4 HB1 LEU 4 7.939 -4.088 4.197 39 HG LEU 4 HG LEU 4 10.480 -2.660 4.089 40 HD11 LEU 4 HD11 LEU 4 8.776 -2.063 6.480 41 HD12 LEU 4 HD12 LEU 4 8.832 -0.970 5.097 42 HD13 LEU 4 HD13 LEU 4 10.306 -1.333 5.995 43 HD21 LEU 4 HD21 LEU 4 11.006 -4.031 5.929 44 HD22 LEU 4 HD22 LEU 4 9.983 -5.019 4.886 45 HD23 LEU 4 HD23 LEU 4 9.307 -4.275 6.336 Start of MODEL 26 1 H1 ALA 1 HN ALA 1 7.620 -1.499 1.275 2 HA ALA 1 HA ALA 1 5.624 -3.022 -0.238 3 HB1 ALA 1 HB1 ALA 1 4.077 -1.078 0.085 4 HB2 ALA 1 HB2 ALA 1 5.217 -0.424 1.262 5 HB3 ALA 1 HB3 ALA 1 4.413 -1.961 1.574 6 HN UVR 2 HN UVR 2 7.270 0.067 0.237 7 HA UVR 2 HA UVR 2 7.529 0.449 -2.623 8 HB1 UVR 2 HB1 UVR 2 6.538 2.330 -1.254 9 HB2 UVR 2 HB2 UVR 2 7.925 2.771 -2.230 10 HG1 UVR 2 HG1 UVR 2 8.306 3.850 -0.223 11 HG2 UVR 2 HG2 UVR 2 9.309 2.414 -0.110 12 HD1 UVR 2 HD1 UVR 2 7.984 3.019 1.957 13 HD2 UVR 2 HD2 UVR 2 7.823 1.360 1.395 14 HE1 UVR 2 HE1 UVR 2 5.669 2.336 2.069 15 HE2 UVR 2 HE2 UVR 2 5.690 1.871 0.369 16 HF1 UVR 2 HF1 UVR 2 6.556 4.490 0.308 17 HF2 UVR 2 HF2 UVR 2 5.333 4.500 1.585 18 HY1 UVR 2 HY1 UVR 2 5.499 5.446 -1.564 19 HY2 UVR 2 HY2 UVR 2 3.856 5.818 -1.016 20 HZ1 UVR 2 HZ1 UVR 2 3.957 3.407 -2.750 21 HZ2 UVR 2 HZ2 UVR 2 4.365 4.877 -3.591 22 HZ3 UVR 2 HZ3 UVR 2 2.892 4.467 -2.756 23 HQ1 UVR 3 HQ1 UVR 3 11.124 -0.834 2.109 24 HQ2 UVR 3 HQ2 UVR 3 12.347 -1.584 1.092 25 HN UVR 3 HN UVR 3 9.218 0.521 0.430 26 HA UVR 3 HA UVR 3 11.801 -0.205 -0.774 27 HB1 UVR 3 HB1 UVR 3 12.733 0.341 1.473 28 HB2 UVR 3 HB2 UVR 3 11.129 0.921 1.943 29 HD1 UVR 3 HD1 UVR 3 11.028 2.282 -1.240 30 HE1 UVR 3 HE1 UVR 3 12.076 4.624 -1.426 31 HE3 UVR 3 HE3 UVR 3 13.817 2.267 3.046 32 HZ2 UVR 3 HZ2 UVR 3 13.851 6.251 0.047 33 HZ3 UVR 3 HZ3 UVR 3 15.164 4.256 3.583 34 HH2 UVR 3 HH2 UVR 3 15.180 6.205 2.113 35 H LEU 4 HN LEU 4 9.180 -1.382 2.057 36 HA LEU 4 HA LEU 4 9.350 -4.273 2.225 37 HB2 LEU 4 HB2 LEU 4 7.713 -2.355 3.896 38 HB3 LEU 4 HB1 LEU 4 7.915 -4.072 4.194 39 HG LEU 4 HG LEU 4 10.449 -2.627 4.103 40 HD11 LEU 4 HD11 LEU 4 8.602 -2.016 6.400 41 HD12 LEU 4 HD12 LEU 4 8.909 -0.898 5.072 42 HD13 LEU 4 HD13 LEU 4 10.230 -1.399 6.126 43 HD21 LEU 4 HD21 LEU 4 10.241 -4.928 4.858 44 HD22 LEU 4 HD22 LEU 4 9.146 -4.424 6.145 45 HD23 LEU 4 HD23 LEU 4 10.829 -3.898 6.162 Start of MODEL 27 1 H1 ALA 1 HN ALA 1 7.637 -1.509 1.280 2 HA ALA 1 HA ALA 1 5.668 -3.029 -0.268 3 HB1 ALA 1 HB1 ALA 1 4.569 -1.837 1.650 4 HB2 ALA 1 HB2 ALA 1 4.035 -1.268 0.067 5 HB3 ALA 1 HB3 ALA 1 5.194 -0.320 1.000 6 HN UVR 2 HN UVR 2 7.128 0.168 0.213 7 HA UVR 2 HA UVR 2 7.500 0.537 -2.622 8 HB1 UVR 2 HB1 UVR 2 6.628 2.483 -1.628 9 HB2 UVR 2 HB2 UVR 2 8.334 2.830 -1.842 10 HG1 UVR 2 HG1 UVR 2 8.128 3.566 0.277 11 HG2 UVR 2 HG2 UVR 2 8.395 1.867 0.653 12 HD1 UVR 2 HD1 UVR 2 6.527 2.393 1.926 13 HD2 UVR 2 HD2 UVR 2 5.832 1.650 0.484 14 HE1 UVR 2 HE1 UVR 2 5.417 3.873 -0.459 15 HE2 UVR 2 HE2 UVR 2 6.104 4.613 0.988 16 HF1 UVR 2 HF1 UVR 2 3.873 2.669 1.321 17 HF2 UVR 2 HF2 UVR 2 3.497 4.293 0.727 18 HY1 UVR 2 HY1 UVR 2 2.683 4.185 4.068 19 HY2 UVR 2 HY2 UVR 2 2.391 5.142 2.605 20 HZ1 UVR 2 HZ1 UVR 2 2.885 6.458 4.875 21 HZ2 UVR 2 HZ2 UVR 2 3.828 6.978 3.505 22 HZ3 UVR 2 HZ3 UVR 2 4.311 5.981 4.849 23 HQ1 UVR 3 HQ1 UVR 3 11.150 -0.866 2.083 24 HQ2 UVR 3 HQ2 UVR 3 12.326 -1.641 1.032 25 HN UVR 3 HN UVR 3 9.219 0.519 0.428 26 HA UVR 3 HA UVR 3 11.772 -0.243 -0.809 27 HB1 UVR 3 HB1 UVR 3 12.767 0.312 1.394 28 HB2 UVR 3 HB2 UVR 3 11.175 0.871 1.930 29 HD1 UVR 3 HD1 UVR 3 10.190 2.902 0.037 30 HE1 UVR 3 HE1 UVR 3 11.494 5.008 -0.659 31 HE3 UVR 3 HE3 UVR 3 14.921 1.346 1.192 32 HZ2 UVR 3 HZ2 UVR 3 14.175 5.895 -0.710 33 HZ3 UVR 3 HZ3 UVR 3 16.800 2.883 0.790 34 HH2 UVR 3 HH2 UVR 3 16.432 5.109 -0.142 35 H LEU 4 HN LEU 4 9.198 -1.383 2.108 36 HA LEU 4 HA LEU 4 9.342 -4.273 2.279 37 HB2 LEU 4 HB2 LEU 4 7.701 -2.317 3.905 38 HB3 LEU 4 HB1 LEU 4 7.851 -4.038 4.217 39 HG LEU 4 HG LEU 4 10.421 -2.643 4.174 40 HD11 LEU 4 HD11 LEU 4 9.331 -0.801 5.141 41 HD12 LEU 4 HD12 LEU 4 9.998 -1.705 6.500 42 HD13 LEU 4 HD13 LEU 4 8.280 -1.827 6.117 43 HD21 LEU 4 HD21 LEU 4 10.673 -3.905 6.301 44 HD22 LEU 4 HD22 LEU 4 10.251 -4.916 4.920 45 HD23 LEU 4 HD23 LEU 4 9.019 -4.484 6.106 Start of MODEL 28 1 H1 ALA 1 HN ALA 1 7.663 -1.508 1.217 2 HA ALA 1 HA ALA 1 5.631 -3.025 -0.251 3 HB1 ALA 1 HB1 ALA 1 5.256 -0.631 1.518 4 HB2 ALA 1 HB2 ALA 1 4.233 -2.057 1.340 5 HB3 ALA 1 HB3 ALA 1 4.246 -0.818 0.085 6 HN UVR 2 HN UVR 2 7.282 0.048 0.247 7 HA UVR 2 HA UVR 2 7.516 0.500 -2.610 8 HB1 UVR 2 HB1 UVR 2 7.901 2.789 -2.161 9 HB2 UVR 2 HB2 UVR 2 8.345 2.468 -0.491 10 HG1 UVR 2 HG1 UVR 2 6.199 3.569 -0.593 11 HG2 UVR 2 HG2 UVR 2 6.009 1.924 0.016 12 HD1 UVR 2 HD1 UVR 2 5.655 1.476 -2.609 13 HD2 UVR 2 HD2 UVR 2 5.061 3.135 -2.507 14 HE1 UVR 2 HE1 UVR 2 4.137 1.087 -0.534 15 HE2 UVR 2 HE2 UVR 2 3.413 1.159 -2.142 16 HF1 UVR 2 HF1 UVR 2 2.336 3.106 -1.715 17 HF2 UVR 2 HF2 UVR 2 3.656 3.738 -0.720 18 HY1 UVR 2 HY1 UVR 2 0.693 1.630 -0.833 19 HY2 UVR 2 HY2 UVR 2 0.167 2.595 0.556 20 HZ1 UVR 2 HZ1 UVR 2 0.590 0.763 2.076 21 HZ2 UVR 2 HZ2 UVR 2 1.616 -0.086 0.953 22 HZ3 UVR 2 HZ3 UVR 2 -0.119 0.069 0.946 23 HQ1 UVR 3 HQ1 UVR 3 11.140 -0.852 2.097 24 HQ2 UVR 3 HQ2 UVR 3 12.341 -1.605 1.059 25 HN UVR 3 HN UVR 3 9.243 0.597 0.431 26 HA UVR 3 HA UVR 3 11.801 -0.197 -0.781 27 HB1 UVR 3 HB1 UVR 3 12.780 0.369 1.411 28 HB2 UVR 3 HB2 UVR 3 11.175 0.860 1.973 29 HD1 UVR 3 HD1 UVR 3 13.844 1.946 -0.616 30 HE1 UVR 3 HE1 UVR 3 13.608 4.483 -0.982 31 HE3 UVR 3 HE3 UVR 3 9.703 2.799 2.259 32 HZ2 UVR 3 HZ2 UVR 3 11.895 6.569 -0.158 33 HZ3 UVR 3 HZ3 UVR 3 8.831 5.093 2.418 34 HH2 UVR 3 HH2 UVR 3 9.905 6.938 1.234 35 H LEU 4 HN LEU 4 9.196 -1.383 2.080 36 HA LEU 4 HA LEU 4 9.346 -4.277 2.214 37 HB2 LEU 4 HB2 LEU 4 7.739 -2.365 3.919 38 HB3 LEU 4 HB1 LEU 4 7.935 -4.086 4.200 39 HG LEU 4 HG LEU 4 10.480 -2.665 4.096 40 HD11 LEU 4 HD11 LEU 4 8.611 -1.104 5.208 41 HD12 LEU 4 HD12 LEU 4 10.278 -1.170 5.780 42 HD13 LEU 4 HD13 LEU 4 9.025 -2.098 6.604 43 HD21 LEU 4 HD21 LEU 4 9.338 -4.243 6.376 44 HD22 LEU 4 HD22 LEU 4 11.022 -4.063 5.884 45 HD23 LEU 4 HD23 LEU 4 9.916 -5.029 4.907 Start of MODEL 29 1 H1 ALA 1 HN ALA 1 7.646 -1.505 1.264 2 HA ALA 1 HA ALA 1 5.624 -3.013 -0.230 3 HB1 ALA 1 HB1 ALA 1 5.246 -0.806 1.691 4 HB2 ALA 1 HB2 ALA 1 4.093 -2.012 1.119 5 HB3 ALA 1 HB3 ALA 1 4.434 -0.584 0.140 6 HN UVR 2 HN UVR 2 7.267 0.082 0.234 7 HA UVR 2 HA UVR 2 7.529 0.457 -2.632 8 HB1 UVR 2 HB1 UVR 2 6.565 2.347 -1.255 9 HB2 UVR 2 HB2 UVR 2 7.973 2.778 -2.211 10 HG1 UVR 2 HG1 UVR 2 9.386 2.635 -0.244 11 HG2 UVR 2 HG2 UVR 2 8.002 2.132 0.729 12 HD1 UVR 2 HD1 UVR 2 8.467 4.506 1.039 13 HD2 UVR 2 HD2 UVR 2 6.899 4.267 0.266 14 HE1 UVR 2 HE1 UVR 2 9.284 4.645 -1.471 15 HE2 UVR 2 HE2 UVR 2 8.624 6.053 -0.636 16 HF1 UVR 2 HF1 UVR 2 6.830 6.149 -1.983 17 HF2 UVR 2 HF2 UVR 2 6.580 4.399 -1.915 18 HY1 UVR 2 HY1 UVR 2 7.024 6.831 -4.228 19 HY2 UVR 2 HY2 UVR 2 6.539 5.343 -5.059 20 HZ1 UVR 2 HZ1 UVR 2 9.059 5.251 -5.863 21 HZ2 UVR 2 HZ2 UVR 2 9.097 6.951 -5.481 22 HZ3 UVR 2 HZ3 UVR 2 8.117 6.116 -6.655 23 HQ1 UVR 3 HQ1 UVR 3 11.179 -0.890 2.092 24 HQ2 UVR 3 HQ2 UVR 3 12.334 -1.639 1.006 25 HN UVR 3 HN UVR 3 9.217 0.552 0.425 26 HA UVR 3 HA UVR 3 11.795 -0.177 -0.774 27 HB1 UVR 3 HB1 UVR 3 11.295 0.698 2.067 28 HB2 UVR 3 HB2 UVR 3 11.674 1.859 0.801 29 HD1 UVR 3 HD1 UVR 3 13.313 -0.711 3.044 30 HE1 UVR 3 HE1 UVR 3 15.867 -0.583 2.747 31 HE3 UVR 3 HE3 UVR 3 13.506 2.406 -1.005 32 HZ2 UVR 3 HZ2 UVR 3 17.718 0.672 1.024 33 HZ3 UVR 3 HZ3 UVR 3 15.708 3.021 -1.916 34 HH2 UVR 3 HH2 UVR 3 17.769 2.172 -0.921 35 H LEU 4 HN LEU 4 9.206 -1.395 2.114 36 HA LEU 4 HA LEU 4 9.349 -4.288 2.213 37 HB2 LEU 4 HB2 LEU 4 7.740 -2.380 3.922 38 HB3 LEU 4 HB1 LEU 4 7.907 -4.106 4.186 39 HG LEU 4 HG LEU 4 10.470 -2.707 4.124 40 HD11 LEU 4 HD11 LEU 4 8.807 -1.035 5.162 41 HD12 LEU 4 HD12 LEU 4 10.290 -1.408 6.042 42 HD13 LEU 4 HD13 LEU 4 8.767 -2.155 6.524 43 HD21 LEU 4 HD21 LEU 4 9.277 -4.352 6.335 44 HD22 LEU 4 HD22 LEU 4 10.976 -4.133 5.918 45 HD23 LEU 4 HD23 LEU 4 9.926 -5.082 4.867 Start of MODEL 30 1 H1 ALA 1 HN ALA 1 7.633 -1.501 1.268 2 HA ALA 1 HA ALA 1 5.612 -3.011 -0.226 3 HB1 ALA 1 HB1 ALA 1 5.224 -0.860 1.732 4 HB2 ALA 1 HB2 ALA 1 4.053 -1.998 1.065 5 HB3 ALA 1 HB3 ALA 1 4.470 -0.535 0.170 6 HN UVR 2 HN UVR 2 7.276 0.071 0.236 7 HA UVR 2 HA UVR 2 7.531 0.448 -2.631 8 HB1 UVR 2 HB1 UVR 2 6.564 2.337 -1.243 9 HB2 UVR 2 HB2 UVR 2 7.957 2.770 -2.221 10 HG1 UVR 2 HG1 UVR 2 9.397 2.627 -0.266 11 HG2 UVR 2 HG2 UVR 2 8.017 2.149 0.724 12 HD1 UVR 2 HD1 UVR 2 7.268 4.511 -0.619 13 HD2 UVR 2 HD2 UVR 2 8.897 4.777 0.003 14 HE1 UVR 2 HE1 UVR 2 7.895 3.713 2.186 15 HE2 UVR 2 HE2 UVR 2 6.366 4.242 1.481 16 HF1 UVR 2 HF1 UVR 2 7.829 6.480 1.144 17 HF2 UVR 2 HF2 UVR 2 8.587 5.832 2.606 18 HY1 UVR 2 HY1 UVR 2 4.479 5.715 2.643 19 HY2 UVR 2 HY2 UVR 2 5.227 6.209 1.114 20 HZ1 UVR 2 HZ1 UVR 2 4.999 8.366 3.198 21 HZ2 UVR 2 HZ2 UVR 2 3.527 7.927 2.378 22 HZ3 UVR 2 HZ3 UVR 2 5.001 8.570 1.708 23 HQ1 UVR 3 HQ1 UVR 3 11.127 -0.842 2.111 24 HQ2 UVR 3 HQ2 UVR 3 12.345 -1.584 1.084 25 HN UVR 3 HN UVR 3 9.216 0.547 0.428 26 HA UVR 3 HA UVR 3 11.802 -0.186 -0.764 27 HB1 UVR 3 HB1 UVR 3 12.760 0.405 1.429 28 HB2 UVR 3 HB2 UVR 3 11.144 0.865 1.987 29 HD1 UVR 3 HD1 UVR 3 10.810 3.385 1.995 30 HE1 UVR 3 HE1 UVR 3 11.688 5.382 0.628 31 HE3 UVR 3 HE3 UVR 3 13.778 0.862 -1.317 32 HZ2 UVR 3 HZ2 UVR 3 13.410 5.829 -1.563 33 HZ3 UVR 3 HZ3 UVR 3 15.006 2.149 -3.016 34 HH2 UVR 3 HH2 UVR 3 14.824 4.581 -3.136 35 H LEU 4 HN LEU 4 9.181 -1.390 2.066 36 HA LEU 4 HA LEU 4 9.350 -4.282 2.205 37 HB2 LEU 4 HB2 LEU 4 7.727 -2.381 3.908 38 HB3 LEU 4 HB1 LEU 4 7.933 -4.100 4.188 39 HG LEU 4 HG LEU 4 10.468 -2.660 4.091 40 HD11 LEU 4 HD11 LEU 4 8.422 -1.917 6.172 41 HD12 LEU 4 HD12 LEU 4 9.262 -0.840 5.057 42 HD13 LEU 4 HD13 LEU 4 10.155 -1.642 6.349 43 HD21 LEU 4 HD21 LEU 4 10.997 -4.034 5.925 44 HD22 LEU 4 HD22 LEU 4 9.977 -5.025 4.881 45 HD23 LEU 4 HD23 LEU 4 9.299 -4.286 6.332 Start of MODEL 31 1 H1 ALA 1 HN ALA 1 7.660 -1.507 1.222 2 HA ALA 1 HA ALA 1 5.626 -3.023 -0.246 3 HB1 ALA 1 HB1 ALA 1 4.945 -1.466 1.885 4 HB2 ALA 1 HB2 ALA 1 3.901 -1.730 0.487 5 HB3 ALA 1 HB3 ALA 1 4.900 -0.279 0.580 6 HN UVR 2 HN UVR 2 7.278 0.052 0.248 7 HA UVR 2 HA UVR 2 7.515 0.498 -2.611 8 HB1 UVR 2 HB1 UVR 2 8.010 2.795 -2.121 9 HB2 UVR 2 HB2 UVR 2 8.257 2.436 -0.417 10 HG1 UVR 2 HG1 UVR 2 6.185 3.521 -0.536 11 HG2 UVR 2 HG2 UVR 2 5.803 1.809 -0.339 12 HD1 UVR 2 HD1 UVR 2 6.058 2.689 -3.127 13 HD2 UVR 2 HD2 UVR 2 4.724 3.430 -2.240 14 HE1 UVR 2 HE1 UVR 2 3.769 1.320 -1.729 15 HE2 UVR 2 HE2 UVR 2 5.211 0.461 -2.273 16 HF1 UVR 2 HF1 UVR 2 4.074 0.193 -4.198 17 HF2 UVR 2 HF2 UVR 2 4.533 1.872 -4.511 18 HY1 UVR 2 HY1 UVR 2 2.691 2.586 -5.717 19 HY2 UVR 2 HY2 UVR 2 1.368 3.172 -4.694 20 HZ1 UVR 2 HZ1 UVR 2 0.105 1.040 -5.158 21 HZ2 UVR 2 HZ2 UVR 2 1.382 0.486 -6.204 22 HZ3 UVR 2 HZ3 UVR 2 0.284 1.818 -6.432 23 HQ1 UVR 3 HQ1 UVR 3 11.143 -0.850 2.099 24 HQ2 UVR 3 HQ2 UVR 3 12.344 -1.603 1.060 25 HN UVR 3 HN UVR 3 9.243 0.597 0.430 26 HA UVR 3 HA UVR 3 11.803 -0.196 -0.781 27 HB1 UVR 3 HB1 UVR 3 12.780 0.372 1.411 28 HB2 UVR 3 HB2 UVR 3 11.175 0.864 1.973 29 HD1 UVR 3 HD1 UVR 3 14.107 2.059 -0.151 30 HE1 UVR 3 HE1 UVR 3 13.773 4.553 -0.697 31 HE3 UVR 3 HE3 UVR 3 9.344 2.648 1.614 32 HZ2 UVR 3 HZ2 UVR 3 11.759 6.510 -0.415 33 HZ3 UVR 3 HZ3 UVR 3 8.286 4.862 1.438 34 HH2 UVR 3 HH2 UVR 3 9.470 6.753 0.445 35 H LEU 4 HN LEU 4 9.191 -1.382 2.077 36 HA LEU 4 HA LEU 4 9.346 -4.276 2.214 37 HB2 LEU 4 HB2 LEU 4 7.747 -2.355 3.915 38 HB3 LEU 4 HB1 LEU 4 7.918 -4.079 4.193 39 HG LEU 4 HG LEU 4 10.473 -2.660 4.099 40 HD11 LEU 4 HD11 LEU 4 9.393 -0.849 5.137 41 HD12 LEU 4 HD12 LEU 4 10.116 -1.773 6.454 42 HD13 LEU 4 HD13 LEU 4 8.389 -1.907 6.127 43 HD21 LEU 4 HD21 LEU 4 10.777 -3.955 6.218 44 HD22 LEU 4 HD22 LEU 4 10.385 -4.935 4.805 45 HD23 LEU 4 HD23 LEU 4 9.141 -4.577 6.001 Start of MODEL 32 1 H1 ALA 1 HN ALA 1 7.665 -1.509 1.225 2 HA ALA 1 HA ALA 1 5.633 -3.023 -0.247 3 HB1 ALA 1 HB1 ALA 1 4.875 -0.290 0.544 4 HB2 ALA 1 HB2 ALA 1 4.969 -1.432 1.884 5 HB3 ALA 1 HB3 ALA 1 3.907 -1.763 0.517 6 HN UVR 2 HN UVR 2 7.279 0.054 0.246 7 HA UVR 2 HA UVR 2 7.518 0.498 -2.613 8 HB1 UVR 2 HB1 UVR 2 8.612 2.714 -1.388 9 HB2 UVR 2 HB2 UVR 2 7.327 2.270 -0.274 10 HG1 UVR 2 HG1 UVR 2 5.725 2.331 -2.156 11 HG2 UVR 2 HG2 UVR 2 7.030 2.890 -3.205 12 HD1 UVR 2 HD1 UVR 2 6.126 4.313 -0.705 13 HD2 UVR 2 HD2 UVR 2 5.590 4.722 -2.336 14 HE1 UVR 2 HE1 UVR 2 8.440 4.777 -1.347 15 HE2 UVR 2 HE2 UVR 2 7.407 6.185 -1.604 16 HF1 UVR 2 HF1 UVR 2 8.360 6.242 -3.645 17 HF2 UVR 2 HF2 UVR 2 7.231 4.933 -4.021 18 HY1 UVR 2 HY1 UVR 2 10.752 3.905 -2.183 19 HY2 UVR 2 HY2 UVR 2 10.569 5.616 -2.606 20 HZ1 UVR 2 HZ1 UVR 2 11.762 5.269 -4.718 21 HZ2 UVR 2 HZ2 UVR 2 11.714 3.535 -4.569 22 HZ3 UVR 2 HZ3 UVR 2 12.665 4.684 -3.669 23 HQ1 UVR 3 HQ1 UVR 3 11.185 -0.891 2.082 24 HQ2 UVR 3 HQ2 UVR 3 12.333 -1.649 0.996 25 HN UVR 3 HN UVR 3 9.241 0.599 0.428 26 HA UVR 3 HA UVR 3 11.793 -0.181 -0.786 27 HB1 UVR 3 HB1 UVR 3 11.298 0.705 2.049 28 HB2 UVR 3 HB2 UVR 3 11.715 1.849 0.781 29 HD1 UVR 3 HD1 UVR 3 13.621 1.719 3.174 30 HE1 UVR 3 HE1 UVR 3 16.047 0.907 2.933 31 HE3 UVR 3 HE3 UVR 3 13.159 -1.029 -1.131 32 HZ2 UVR 3 HZ2 UVR 3 17.565 -0.677 1.169 33 HZ3 UVR 3 HZ3 UVR 3 15.151 -2.155 -2.020 34 HH2 UVR 3 HH2 UVR 3 17.309 -1.983 -0.894 35 H LEU 4 HN LEU 4 9.213 -1.389 2.115 36 HA LEU 4 HA LEU 4 9.347 -4.282 2.214 37 HB2 LEU 4 HB2 LEU 4 7.757 -2.364 3.929 38 HB3 LEU 4 HB1 LEU 4 7.908 -4.091 4.192 39 HG LEU 4 HG LEU 4 10.482 -2.705 4.118 40 HD11 LEU 4 HD11 LEU 4 10.038 -1.902 6.547 41 HD12 LEU 4 HD12 LEU 4 8.351 -1.856 6.034 42 HD13 LEU 4 HD13 LEU 4 9.556 -0.882 5.191 43 HD21 LEU 4 HD21 LEU 4 9.462 -4.249 6.444 44 HD22 LEU 4 HD22 LEU 4 11.056 -4.257 5.690 45 HD23 LEU 4 HD23 LEU 4 9.713 -5.101 4.920 Start of MODEL 33 1 H1 ALA 1 HN ALA 1 7.657 -1.506 1.222 2 HA ALA 1 HA ALA 1 5.626 -3.024 -0.247 3 HB1 ALA 1 HB1 ALA 1 5.255 -0.607 1.499 4 HB2 ALA 1 HB2 ALA 1 4.246 -2.048 1.367 5 HB3 ALA 1 HB3 ALA 1 4.227 -0.837 0.084 6 HN UVR 2 HN UVR 2 7.284 0.046 0.248 7 HA UVR 2 HA UVR 2 7.518 0.497 -2.611 8 HB1 UVR 2 HB1 UVR 2 8.012 2.793 -2.120 9 HB2 UVR 2 HB2 UVR 2 8.256 2.435 -0.416 10 HG1 UVR 2 HG1 UVR 2 5.714 1.671 -0.627 11 HG2 UVR 2 HG2 UVR 2 5.752 2.863 -1.928 12 HD1 UVR 2 HD1 UVR 2 6.587 4.551 -0.383 13 HD2 UVR 2 HD2 UVR 2 6.609 3.362 0.921 14 HE1 UVR 2 HE1 UVR 2 4.037 3.641 -0.480 15 HE2 UVR 2 HE2 UVR 2 4.553 5.056 0.440 16 HF1 UVR 2 HF1 UVR 2 4.831 3.654 2.435 17 HF2 UVR 2 HF2 UVR 2 4.298 2.242 1.510 18 HY1 UVR 2 HY1 UVR 2 0.858 3.067 2.617 19 HY2 UVR 2 HY2 UVR 2 2.203 2.046 3.155 20 HZ1 UVR 2 HZ1 UVR 2 2.290 1.645 0.404 21 HZ2 UVR 2 HZ2 UVR 2 0.573 1.735 0.681 22 HZ3 UVR 2 HZ3 UVR 2 1.733 0.627 1.359 23 HQ1 UVR 3 HQ1 UVR 3 11.135 -0.847 2.101 24 HQ2 UVR 3 HQ2 UVR 3 12.342 -1.598 1.069 25 HN UVR 3 HN UVR 3 9.242 0.596 0.430 26 HA UVR 3 HA UVR 3 11.803 -0.196 -0.779 27 HB1 UVR 3 HB1 UVR 3 12.779 0.376 1.413 28 HB2 UVR 3 HB2 UVR 3 11.172 0.865 1.974 29 HD1 UVR 3 HD1 UVR 3 13.032 1.864 -1.291 30 HE1 UVR 3 HE1 UVR 3 13.107 4.435 -1.395 31 HE3 UVR 3 HE3 UVR 3 10.820 2.923 3.195 32 HZ2 UVR 3 HZ2 UVR 3 12.331 6.622 0.212 33 HZ3 UVR 3 HZ3 UVR 3 10.523 5.280 3.836 34 HH2 UVR 3 HH2 UVR 3 11.264 7.090 2.374 35 H LEU 4 HN LEU 4 9.190 -1.383 2.073 36 HA LEU 4 HA LEU 4 9.347 -4.276 2.209 37 HB2 LEU 4 HB2 LEU 4 7.741 -2.367 3.917 38 HB3 LEU 4 HB1 LEU 4 7.940 -4.087 4.199 39 HG LEU 4 HG LEU 4 10.482 -2.660 4.088 40 HD11 LEU 4 HD11 LEU 4 8.637 -1.085 5.189 41 HD12 LEU 4 HD12 LEU 4 10.288 -1.186 5.800 42 HD13 LEU 4 HD13 LEU 4 9.000 -2.097 6.587 43 HD21 LEU 4 HD21 LEU 4 9.962 -5.023 4.890 44 HD22 LEU 4 HD22 LEU 4 9.326 -4.263 6.349 45 HD23 LEU 4 HD23 LEU 4 11.019 -4.043 5.905 Start of MODEL 34 1 H1 ALA 1 HN ALA 1 7.665 -1.508 1.224 2 HA ALA 1 HA ALA 1 5.634 -3.024 -0.247 3 HB1 ALA 1 HB1 ALA 1 4.316 -0.729 0.101 4 HB2 ALA 1 HB2 ALA 1 5.258 -0.705 1.592 5 HB3 ALA 1 HB3 ALA 1 4.176 -2.056 1.253 6 HN UVR 2 HN UVR 2 7.281 0.054 0.246 7 HA UVR 2 HA UVR 2 7.519 0.497 -2.614 8 HB1 UVR 2 HB1 UVR 2 8.238 2.796 -1.991 9 HB2 UVR 2 HB2 UVR 2 8.032 2.378 -0.295 10 HG1 UVR 2 HG1 UVR 2 5.639 2.031 -0.675 11 HG2 UVR 2 HG2 UVR 2 5.852 2.471 -2.371 12 HD1 UVR 2 HD1 UVR 2 5.940 4.667 -1.917 13 HD2 UVR 2 HD2 UVR 2 6.936 4.428 -0.480 14 HE1 UVR 2 HE1 UVR 2 3.981 3.847 -0.578 15 HE2 UVR 2 HE2 UVR 2 4.660 5.385 -0.040 16 HF1 UVR 2 HF1 UVR 2 5.441 2.746 1.183 17 HF2 UVR 2 HF2 UVR 2 4.097 3.728 1.787 18 HY1 UVR 2 HY1 UVR 2 7.709 3.359 1.618 19 HY2 UVR 2 HY2 UVR 2 7.363 3.581 3.342 20 HZ1 UVR 2 HZ1 UVR 2 9.220 5.125 1.727 21 HZ2 UVR 2 HZ2 UVR 2 8.805 5.462 3.384 22 HZ3 UVR 2 HZ3 UVR 2 8.101 6.108 1.929 23 HQ1 UVR 3 HQ1 UVR 3 11.183 -0.890 2.083 24 HQ2 UVR 3 HQ2 UVR 3 12.332 -1.649 0.998 25 HN UVR 3 HN UVR 3 9.241 0.600 0.429 26 HA UVR 3 HA UVR 3 11.793 -0.182 -0.785 27 HB1 UVR 3 HB1 UVR 3 11.300 0.705 2.049 28 HB2 UVR 3 HB2 UVR 3 11.718 1.848 0.782 29 HD1 UVR 3 HD1 UVR 3 13.626 1.720 3.170 30 HE1 UVR 3 HE1 UVR 3 16.050 0.901 2.930 31 HE3 UVR 3 HE3 UVR 3 13.156 -1.038 -1.130 32 HZ2 UVR 3 HZ2 UVR 3 17.563 -0.690 1.169 33 HZ3 UVR 3 HZ3 UVR 3 15.145 -2.170 -2.016 34 HH2 UVR 3 HH2 UVR 3 17.303 -1.999 -0.890 35 H LEU 4 HN LEU 4 9.214 -1.388 2.116 36 HA LEU 4 HA LEU 4 9.347 -4.282 2.213 37 HB2 LEU 4 HB2 LEU 4 7.748 -2.371 3.929 38 HB3 LEU 4 HB1 LEU 4 7.919 -4.097 4.195 39 HG LEU 4 HG LEU 4 10.482 -2.705 4.117 40 HD11 LEU 4 HD11 LEU 4 8.757 -1.055 5.172 41 HD12 LEU 4 HD12 LEU 4 10.314 -1.333 5.954 42 HD13 LEU 4 HD13 LEU 4 8.867 -2.139 6.558 43 HD21 LEU 4 HD21 LEU 4 9.959 -5.067 4.876 44 HD22 LEU 4 HD22 LEU 4 9.269 -4.340 6.328 45 HD23 LEU 4 HD23 LEU 4 10.975 -4.102 5.948 Start of MODEL 35 1 H1 ALA 1 HN ALA 1 7.642 -1.506 1.265 2 HA ALA 1 HA ALA 1 5.632 -3.018 -0.239 3 HB1 ALA 1 HB1 ALA 1 4.954 -1.428 1.878 4 HB2 ALA 1 HB2 ALA 1 3.908 -1.731 0.491 5 HB3 ALA 1 HB3 ALA 1 4.898 -0.272 0.546 6 HN UVR 2 HN UVR 2 7.256 0.086 0.235 7 HA UVR 2 HA UVR 2 7.523 0.472 -2.627 8 HB1 UVR 2 HB1 UVR 2 6.565 2.358 -1.260 9 HB2 UVR 2 HB2 UVR 2 7.999 2.789 -2.179 10 HG1 UVR 2 HG1 UVR 2 9.366 2.644 -0.197 11 HG2 UVR 2 HG2 UVR 2 7.984 2.081 0.746 12 HD1 UVR 2 HD1 UVR 2 6.832 4.233 0.182 13 HD2 UVR 2 HD2 UVR 2 8.350 4.787 -0.527 14 HE1 UVR 2 HE1 UVR 2 9.325 5.114 1.481 15 HE2 UVR 2 HE2 UVR 2 8.552 3.700 2.201 16 HF1 UVR 2 HF1 UVR 2 6.812 6.010 1.535 17 HF2 UVR 2 HF2 UVR 2 7.908 6.184 2.913 18 HY1 UVR 2 HY1 UVR 2 4.871 3.209 3.067 19 HY2 UVR 2 HY2 UVR 2 5.372 3.812 1.478 20 HZ1 UVR 2 HZ1 UVR 2 3.293 4.991 1.830 21 HZ2 UVR 2 HZ2 UVR 2 4.365 6.149 2.569 22 HZ3 UVR 2 HZ3 UVR 2 3.340 4.968 3.333 23 HQ1 UVR 3 HQ1 UVR 3 11.179 -0.891 2.089 24 HQ2 UVR 3 HQ2 UVR 3 12.334 -1.644 1.004 25 HN UVR 3 HN UVR 3 9.219 0.547 0.426 26 HA UVR 3 HA UVR 3 11.793 -0.188 -0.781 27 HB1 UVR 3 HB1 UVR 3 11.303 0.697 2.058 28 HB2 UVR 3 HB2 UVR 3 11.689 1.851 0.789 29 HD1 UVR 3 HD1 UVR 3 13.428 0.414 3.472 30 HE1 UVR 3 HE1 UVR 3 15.937 0.077 3.003 31 HE3 UVR 3 HE3 UVR 3 13.360 0.802 -1.625 32 HZ2 UVR 3 HZ2 UVR 3 17.658 -0.012 0.766 33 HZ3 UVR 3 HZ3 UVR 3 15.480 0.579 -2.854 34 HH2 UVR 3 HH2 UVR 3 17.584 0.181 -1.681 35 H LEU 4 HN LEU 4 9.207 -1.391 2.114 36 HA LEU 4 HA LEU 4 9.348 -4.285 2.226 37 HB2 LEU 4 HB2 LEU 4 7.731 -2.368 3.918 38 HB3 LEU 4 HB1 LEU 4 7.898 -4.093 4.192 39 HG LEU 4 HG LEU 4 10.461 -2.695 4.132 40 HD11 LEU 4 HD11 LEU 4 10.273 -1.406 6.069 41 HD12 LEU 4 HD12 LEU 4 8.715 -2.113 6.499 42 HD13 LEU 4 HD13 LEU 4 8.831 -0.997 5.138 43 HD21 LEU 4 HD21 LEU 4 9.348 -4.244 6.430 44 HD22 LEU 4 HD22 LEU 4 11.001 -4.171 5.820 45 HD23 LEU 4 HD23 LEU 4 9.773 -5.075 4.935 Start of MODEL 36 1 H1 ALA 1 HN ALA 1 7.654 -1.504 1.226 2 HA ALA 1 HA ALA 1 5.624 -3.022 -0.244 3 HB1 ALA 1 HB1 ALA 1 4.727 -1.731 1.817 4 HB2 ALA 1 HB2 ALA 1 3.925 -1.475 0.268 5 HB3 ALA 1 HB3 ALA 1 5.073 -0.282 0.875 6 HN UVR 2 HN UVR 2 7.290 0.043 0.247 7 HA UVR 2 HA UVR 2 7.519 0.491 -2.612 8 HB1 UVR 2 HB1 UVR 2 8.090 2.792 -2.085 9 HB2 UVR 2 HB2 UVR 2 8.179 2.413 -0.370 10 HG1 UVR 2 HG1 UVR 2 5.654 1.699 -0.803 11 HG2 UVR 2 HG2 UVR 2 5.822 2.892 -2.092 12 HD1 UVR 2 HD1 UVR 2 6.047 4.633 -0.646 13 HD2 UVR 2 HD2 UVR 2 6.835 3.647 0.587 14 HE1 UVR 2 HE1 UVR 2 4.373 2.534 0.567 15 HE2 UVR 2 HE2 UVR 2 3.975 4.201 0.146 16 HF1 UVR 2 HF1 UVR 2 5.814 4.420 2.231 17 HF2 UVR 2 HF2 UVR 2 4.759 3.079 2.699 18 HY1 UVR 2 HY1 UVR 2 2.450 5.403 4.060 19 HY2 UVR 2 HY2 UVR 2 3.033 3.731 4.035 20 HZ1 UVR 2 HZ1 UVR 2 0.758 3.510 3.231 21 HZ2 UVR 2 HZ2 UVR 2 1.563 3.722 1.701 22 HZ3 UVR 2 HZ3 UVR 2 0.658 4.884 2.631 23 HQ1 UVR 3 HQ1 UVR 3 11.135 -0.846 2.101 24 HQ2 UVR 3 HQ2 UVR 3 12.344 -1.596 1.070 25 HN UVR 3 HN UVR 3 9.241 0.595 0.431 26 HA UVR 3 HA UVR 3 11.803 -0.192 -0.776 27 HB1 UVR 3 HB1 UVR 3 12.774 0.372 1.422 28 HB2 UVR 3 HB2 UVR 3 11.168 0.869 1.975 29 HD1 UVR 3 HD1 UVR 3 10.729 2.389 -1.039 30 HE1 UVR 3 HE1 UVR 3 11.724 4.755 -1.230 31 HE3 UVR 3 HE3 UVR 3 14.036 2.200 2.857 32 HZ2 UVR 3 HZ2 UVR 3 13.654 6.333 0.093 33 HZ3 UVR 3 HZ3 UVR 3 15.419 4.181 3.327 34 HH2 UVR 3 HH2 UVR 3 15.231 6.203 1.973 35 H LEU 4 HN LEU 4 9.190 -1.383 2.073 36 HA LEU 4 HA LEU 4 9.348 -4.276 2.207 37 HB2 LEU 4 HB2 LEU 4 7.737 -2.369 3.915 38 HB3 LEU 4 HB1 LEU 4 7.938 -4.089 4.194 39 HG LEU 4 HG LEU 4 10.479 -2.663 4.089 40 HD11 LEU 4 HD11 LEU 4 9.722 -0.828 5.173 41 HD12 LEU 4 HD12 LEU 4 9.880 -1.885 6.576 42 HD13 LEU 4 HD13 LEU 4 8.304 -1.655 5.818 43 HD21 LEU 4 HD21 LEU 4 10.980 -4.012 5.973 44 HD22 LEU 4 HD22 LEU 4 10.029 -5.013 4.876 45 HD23 LEU 4 HD23 LEU 4 9.273 -4.306 6.303 Start of MODEL 37 1 H1 ALA 1 HN ALA 1 7.656 -1.505 1.223 2 HA ALA 1 HA ALA 1 5.625 -3.024 -0.246 3 HB1 ALA 1 HB1 ALA 1 3.900 -1.785 0.543 4 HB2 ALA 1 HB2 ALA 1 4.846 -0.297 0.526 5 HB3 ALA 1 HB3 ALA 1 4.978 -1.411 1.887 6 HN UVR 2 HN UVR 2 7.287 0.044 0.248 7 HA UVR 2 HA UVR 2 7.518 0.495 -2.611 8 HB1 UVR 2 HB1 UVR 2 8.068 2.793 -2.094 9 HB2 UVR 2 HB2 UVR 2 8.207 2.419 -0.382 10 HG1 UVR 2 HG1 UVR 2 5.595 1.877 -1.655 11 HG2 UVR 2 HG2 UVR 2 6.054 3.568 -1.448 12 HD1 UVR 2 HD1 UVR 2 6.003 1.493 0.741 13 HD2 UVR 2 HD2 UVR 2 4.762 2.716 0.464 14 HE1 UVR 2 HE1 UVR 2 6.689 4.413 0.668 15 HE2 UVR 2 HE2 UVR 2 7.588 3.081 1.400 16 HF1 UVR 2 HF1 UVR 2 6.117 2.934 3.219 17 HF2 UVR 2 HF2 UVR 2 4.855 3.852 2.384 18 HY1 UVR 2 HY1 UVR 2 7.490 5.954 4.769 19 HY2 UVR 2 HY2 UVR 2 7.562 4.183 4.766 20 HZ1 UVR 2 HZ1 UVR 2 5.623 4.092 6.075 21 HZ2 UVR 2 HZ2 UVR 2 4.785 5.274 5.109 22 HZ3 UVR 2 HZ3 UVR 2 5.867 5.528 6.450 23 HQ1 UVR 3 HQ1 UVR 3 11.132 -0.844 2.101 24 HQ2 UVR 3 HQ2 UVR 3 12.343 -1.596 1.072 25 HN UVR 3 HN UVR 3 9.242 0.596 0.430 26 HA UVR 3 HA UVR 3 11.804 -0.195 -0.778 27 HB1 UVR 3 HB1 UVR 3 12.773 0.369 1.423 28 HB2 UVR 3 HB2 UVR 3 11.166 0.873 1.970 29 HD1 UVR 3 HD1 UVR 3 10.706 2.402 -1.018 30 HE1 UVR 3 HE1 UVR 3 11.722 4.758 -1.228 31 HE3 UVR 3 HE3 UVR 3 14.084 2.175 2.814 32 HZ2 UVR 3 HZ2 UVR 3 13.693 6.314 0.060 33 HZ3 UVR 3 HZ3 UVR 3 15.496 4.141 3.258 34 HH2 UVR 3 HH2 UVR 3 15.303 6.166 1.909 35 H LEU 4 HN LEU 4 9.189 -1.382 2.071 36 HA LEU 4 HA LEU 4 9.347 -4.275 2.208 37 HB2 LEU 4 HB2 LEU 4 7.739 -2.368 3.917 38 HB3 LEU 4 HB1 LEU 4 7.941 -4.088 4.198 39 HG LEU 4 HG LEU 4 10.482 -2.658 4.086 40 HD11 LEU 4 HD11 LEU 4 8.988 -2.092 6.581 41 HD12 LEU 4 HD12 LEU 4 8.646 -1.077 5.180 42 HD13 LEU 4 HD13 LEU 4 10.290 -1.189 5.806 43 HD21 LEU 4 HD21 LEU 4 10.998 -4.013 5.954 44 HD22 LEU 4 HD22 LEU 4 10.021 -5.012 4.878 45 HD23 LEU 4 HD23 LEU 4 9.294 -4.292 6.314 Start of MODEL 38 1 H1 ALA 1 HN ALA 1 7.653 -1.504 1.227 2 HA ALA 1 HA ALA 1 5.624 -3.023 -0.245 3 HB1 ALA 1 HB1 ALA 1 4.953 -1.446 1.886 4 HB2 ALA 1 HB2 ALA 1 3.897 -1.754 0.507 5 HB3 ALA 1 HB3 ALA 1 4.874 -0.287 0.558 6 HN UVR 2 HN UVR 2 7.286 0.045 0.247 7 HA UVR 2 HA UVR 2 7.518 0.495 -2.611 8 HB1 UVR 2 HB1 UVR 2 8.365 2.784 -1.867 9 HB2 UVR 2 HB2 UVR 2 7.869 2.337 -0.240 10 HG1 UVR 2 HG1 UVR 2 5.599 1.830 -1.644 11 HG2 UVR 2 HG2 UVR 2 6.264 3.203 -2.530 12 HD1 UVR 2 HD1 UVR 2 4.905 4.164 -0.876 13 HD2 UVR 2 HD2 UVR 2 6.550 4.322 -0.257 14 HE1 UVR 2 HE1 UVR 2 5.658 3.447 1.618 15 HE2 UVR 2 HE2 UVR 2 5.874 1.916 0.767 16 HF1 UVR 2 HF1 UVR 2 3.516 2.347 -0.175 17 HF2 UVR 2 HF2 UVR 2 3.371 3.530 1.133 18 HY1 UVR 2 HY1 UVR 2 3.506 1.042 3.854 19 HY2 UVR 2 HY2 UVR 2 4.369 2.539 3.459 20 HZ1 UVR 2 HZ1 UVR 2 6.274 1.167 3.754 21 HZ2 UVR 2 HZ2 UVR 2 5.908 0.499 2.187 22 HZ3 UVR 2 HZ3 UVR 2 5.516 -0.131 3.764 23 HQ1 UVR 3 HQ1 UVR 3 11.134 -0.846 2.101 24 HQ2 UVR 3 HQ2 UVR 3 12.344 -1.597 1.070 25 HN UVR 3 HN UVR 3 9.241 0.595 0.430 26 HA UVR 3 HA UVR 3 11.803 -0.194 -0.777 27 HB1 UVR 3 HB1 UVR 3 12.776 0.375 1.417 28 HB2 UVR 3 HB2 UVR 3 11.170 0.867 1.975 29 HD1 UVR 3 HD1 UVR 3 11.044 2.250 -1.266 30 HE1 UVR 3 HE1 UVR 3 11.901 4.674 -1.368 31 HE3 UVR 3 HE3 UVR 3 13.583 2.400 3.170 32 HZ2 UVR 3 HZ2 UVR 3 13.450 6.419 0.221 33 HZ3 UVR 3 HZ3 UVR 3 14.725 4.485 3.804 34 HH2 UVR 3 HH2 UVR 3 14.660 6.452 2.359 35 H LEU 4 HN LEU 4 9.191 -1.382 2.072 36 HA LEU 4 HA LEU 4 9.349 -4.275 2.208 37 HB2 LEU 4 HB2 LEU 4 7.740 -2.367 3.916 38 HB3 LEU 4 HB1 LEU 4 7.940 -4.087 4.196 39 HG LEU 4 HG LEU 4 10.481 -2.660 4.088 40 HD11 LEU 4 HD11 LEU 4 8.308 -1.653 5.818 41 HD12 LEU 4 HD12 LEU 4 9.728 -0.827 5.176 42 HD13 LEU 4 HD13 LEU 4 9.883 -1.885 6.578 43 HD21 LEU 4 HD21 LEU 4 11.004 -4.026 5.934 44 HD22 LEU 4 HD22 LEU 4 9.994 -5.017 4.881 45 HD23 LEU 4 HD23 LEU 4 9.304 -4.281 6.327 Start of MODEL 39 1 H1 ALA 1 HN ALA 1 7.658 -1.506 1.222 2 HA ALA 1 HA ALA 1 5.626 -3.024 -0.247 3 HB1 ALA 1 HB1 ALA 1 4.160 -0.939 0.082 4 HB2 ALA 1 HB2 ALA 1 5.249 -0.529 1.406 5 HB3 ALA 1 HB3 ALA 1 4.319 -2.026 1.462 6 HN UVR 2 HN UVR 2 7.284 0.047 0.248 7 HA UVR 2 HA UVR 2 7.518 0.497 -2.611 8 HB1 UVR 2 HB1 UVR 2 8.341 2.788 -1.892 9 HB2 UVR 2 HB2 UVR 2 7.905 2.345 -0.247 10 HG1 UVR 2 HG1 UVR 2 5.847 2.149 -2.391 11 HG2 UVR 2 HG2 UVR 2 6.271 3.733 -1.738 12 HD1 UVR 2 HD1 UVR 2 5.487 1.392 -0.015 13 HD2 UVR 2 HD2 UVR 2 4.331 2.582 -0.617 14 HE1 UVR 2 HE1 UVR 2 6.015 4.296 0.426 15 HE2 UVR 2 HE2 UVR 2 6.515 2.905 1.390 16 HF1 UVR 2 HF1 UVR 2 3.673 3.897 1.168 17 HF2 UVR 2 HF2 UVR 2 4.774 4.282 2.498 18 HY1 UVR 2 HY1 UVR 2 4.348 0.953 4.098 19 HY2 UVR 2 HY2 UVR 2 4.659 2.663 4.439 20 HZ1 UVR 2 HZ1 UVR 2 6.896 2.509 3.514 21 HZ2 UVR 2 HZ2 UVR 2 6.575 1.004 2.697 22 HZ3 UVR 2 HZ3 UVR 2 6.819 1.295 4.397 23 HQ1 UVR 3 HQ1 UVR 3 11.135 -0.847 2.100 24 HQ2 UVR 3 HQ2 UVR 3 12.342 -1.599 1.068 25 HN UVR 3 HN UVR 3 9.243 0.597 0.430 26 HA UVR 3 HA UVR 3 11.803 -0.196 -0.779 27 HB1 UVR 3 HB1 UVR 3 12.779 0.374 1.413 28 HB2 UVR 3 HB2 UVR 3 11.174 0.864 1.974 29 HD1 UVR 3 HD1 UVR 3 10.166 3.156 0.931 30 HE1 UVR 3 HE1 UVR 3 11.354 5.225 -0.034 31 HE3 UVR 3 HE3 UVR 3 14.790 1.132 0.116 32 HZ2 UVR 3 HZ2 UVR 3 13.912 5.910 -1.012 33 HZ3 UVR 3 HZ3 UVR 3 16.552 2.562 -0.837 34 HH2 UVR 3 HH2 UVR 3 16.120 4.900 -1.390 35 H LEU 4 HN LEU 4 9.191 -1.383 2.074 36 HA LEU 4 HA LEU 4 9.348 -4.276 2.209 37 HB2 LEU 4 HB2 LEU 4 7.746 -2.363 3.919 38 HB3 LEU 4 HB1 LEU 4 7.935 -4.085 4.196 39 HG LEU 4 HG LEU 4 10.481 -2.662 4.090 40 HD11 LEU 4 HD11 LEU 4 10.187 -1.664 6.360 41 HD12 LEU 4 HD12 LEU 4 8.452 -1.929 6.191 42 HD13 LEU 4 HD13 LEU 4 9.290 -0.846 5.081 43 HD21 LEU 4 HD21 LEU 4 9.186 -4.466 6.131 44 HD22 LEU 4 HD22 LEU 4 10.874 -3.956 6.132 45 HD23 LEU 4 HD23 LEU 4 10.261 -4.970 4.826 Start of MODEL 40 1 H1 ALA 1 HN ALA 1 7.655 -1.505 1.225 2 HA ALA 1 HA ALA 1 5.626 -3.024 -0.247 3 HB1 ALA 1 HB1 ALA 1 4.953 -1.450 1.885 4 HB2 ALA 1 HB2 ALA 1 3.898 -1.756 0.504 5 HB3 ALA 1 HB3 ALA 1 4.875 -0.289 0.560 6 HN UVR 2 HN UVR 2 7.285 0.045 0.248 7 HA UVR 2 HA UVR 2 7.518 0.498 -2.611 8 HB1 UVR 2 HB1 UVR 2 8.271 2.793 -1.955 9 HB2 UVR 2 HB2 UVR 2 7.994 2.362 -0.272 10 HG1 UVR 2 HG1 UVR 2 5.586 1.767 -1.414 11 HG2 UVR 2 HG2 UVR 2 6.103 3.177 -2.341 12 HD1 UVR 2 HD1 UVR 2 6.222 3.146 0.657 13 HD2 UVR 2 HD2 UVR 2 4.742 3.578 -0.202 14 HE1 UVR 2 HE1 UVR 2 7.418 4.923 -0.571 15 HE2 UVR 2 HE2 UVR 2 6.093 5.550 0.412 16 HF1 UVR 2 HF1 UVR 2 4.739 5.236 -1.837 17 HF2 UVR 2 HF2 UVR 2 6.352 5.387 -2.548 18 HY1 UVR 2 HY1 UVR 2 6.082 7.504 -3.545 19 HY2 UVR 2 HY2 UVR 2 7.072 8.435 -2.408 20 HZ1 UVR 2 HZ1 UVR 2 5.268 9.876 -3.521 21 HZ2 UVR 2 HZ2 UVR 2 4.928 9.771 -1.816 22 HZ3 UVR 2 HZ3 UVR 2 4.146 8.952 -3.140 23 HQ1 UVR 3 HQ1 UVR 3 11.133 -0.846 2.101 24 HQ2 UVR 3 HQ2 UVR 3 12.343 -1.597 1.070 25 HN UVR 3 HN UVR 3 9.242 0.596 0.431 26 HA UVR 3 HA UVR 3 11.803 -0.195 -0.778 27 HB1 UVR 3 HB1 UVR 3 12.772 0.367 1.424 28 HB2 UVR 3 HB2 UVR 3 11.167 0.872 1.971 29 HD1 UVR 3 HD1 UVR 3 10.703 2.407 -1.011 30 HE1 UVR 3 HE1 UVR 3 11.725 4.759 -1.221 31 HE3 UVR 3 HE3 UVR 3 14.095 2.164 2.807 32 HZ2 UVR 3 HZ2 UVR 3 13.705 6.308 0.061 33 HZ3 UVR 3 HZ3 UVR 3 15.515 4.125 3.249 34 HH2 UVR 3 HH2 UVR 3 15.323 6.153 1.904 35 H LEU 4 HN LEU 4 9.191 -1.382 2.073 36 HA LEU 4 HA LEU 4 9.348 -4.276 2.211 37 HB2 LEU 4 HB2 LEU 4 7.743 -2.362 3.916 38 HB3 LEU 4 HB1 LEU 4 7.933 -4.084 4.196 39 HG LEU 4 HG LEU 4 10.480 -2.660 4.091 40 HD11 LEU 4 HD11 LEU 4 8.354 -1.798 6.010 41 HD12 LEU 4 HD12 LEU 4 9.515 -0.820 5.114 42 HD13 LEU 4 HD13 LEU 4 10.051 -1.787 6.488 43 HD21 LEU 4 HD21 LEU 4 11.059 -4.118 5.783 44 HD22 LEU 4 HD22 LEU 4 9.828 -5.041 4.919 45 HD23 LEU 4 HD23 LEU 4 9.414 -4.204 6.415 Start of MODEL 41 1 H1 ALA 1 HN ALA 1 7.670 -1.511 1.221 2 HA ALA 1 HA ALA 1 5.635 -3.025 -0.249 3 HB1 ALA 1 HB1 ALA 1 4.412 -1.985 1.556 4 HB2 ALA 1 HB2 ALA 1 4.104 -1.054 0.090 5 HB3 ALA 1 HB3 ALA 1 5.241 -0.450 1.295 6 HN UVR 2 HN UVR 2 7.277 0.057 0.246 7 HA UVR 2 HA UVR 2 7.517 0.501 -2.614 8 HB1 UVR 2 HB1 UVR 2 8.203 2.800 -2.014 9 HB2 UVR 2 HB2 UVR 2 8.074 2.388 -0.309 10 HG1 UVR 2 HG1 UVR 2 6.030 3.266 -0.457 11 HG2 UVR 2 HG2 UVR 2 5.592 1.736 -1.218 12 HD1 UVR 2 HD1 UVR 2 6.454 4.246 -2.653 13 HD2 UVR 2 HD2 UVR 2 4.804 3.629 -2.543 14 HE1 UVR 2 HE1 UVR 2 7.082 2.076 -3.758 15 HE2 UVR 2 HE2 UVR 2 5.997 3.107 -4.692 16 HF1 UVR 2 HF1 UVR 2 4.915 0.948 -2.914 17 HF2 UVR 2 HF2 UVR 2 5.467 0.590 -4.556 18 HY1 UVR 2 HY1 UVR 2 2.397 0.586 -5.435 19 HY2 UVR 2 HY2 UVR 2 3.956 0.772 -6.256 20 HZ1 UVR 2 HZ1 UVR 2 1.671 2.810 -6.198 21 HZ2 UVR 2 HZ2 UVR 2 2.462 2.166 -7.610 22 HZ3 UVR 2 HZ3 UVR 2 3.050 3.344 -6.470 23 HQ1 UVR 3 HQ1 UVR 3 11.181 -0.893 2.083 24 HQ2 UVR 3 HQ2 UVR 3 12.332 -1.649 0.996 25 HN UVR 3 HN UVR 3 9.241 0.601 0.427 26 HA UVR 3 HA UVR 3 11.796 -0.186 -0.787 27 HB1 UVR 3 HB1 UVR 3 11.321 0.691 2.057 28 HB2 UVR 3 HB2 UVR 3 11.710 1.849 0.790 29 HD1 UVR 3 HD1 UVR 3 14.183 1.588 -0.391 30 HE1 UVR 3 HE1 UVR 3 16.402 0.772 0.625 31 HE3 UVR 3 HE3 UVR 3 12.350 -0.865 3.704 32 HZ2 UVR 3 HZ2 UVR 3 17.263 -0.716 2.865 33 HZ3 UVR 3 HZ3 UVR 3 13.939 -1.958 5.233 34 HH2 UVR 3 HH2 UVR 3 16.343 -1.884 4.820 35 H LEU 4 HN LEU 4 9.215 -1.389 2.117 36 HA LEU 4 HA LEU 4 9.346 -4.283 2.215 37 HB2 LEU 4 HB2 LEU 4 7.753 -2.369 3.931 38 HB3 LEU 4 HB1 LEU 4 7.916 -4.095 4.197 39 HG LEU 4 HG LEU 4 10.485 -2.706 4.117 40 HD11 LEU 4 HD11 LEU 4 8.319 -1.704 5.857 41 HD12 LEU 4 HD12 LEU 4 9.751 -0.884 5.237 42 HD13 LEU 4 HD13 LEU 4 9.886 -1.972 6.618 43 HD21 LEU 4 HD21 LEU 4 9.388 -4.263 6.418 44 HD22 LEU 4 HD22 LEU 4 11.036 -4.191 5.793 45 HD23 LEU 4 HD23 LEU 4 9.796 -5.088 4.915 Start of MODEL 42 1 H1 ALA 1 HN ALA 1 7.656 -1.505 1.224 2 HA ALA 1 HA ALA 1 5.627 -3.025 -0.248 3 HB1 ALA 1 HB1 ALA 1 4.913 -0.281 0.614 4 HB2 ALA 1 HB2 ALA 1 4.913 -1.509 1.880 5 HB3 ALA 1 HB3 ALA 1 3.895 -1.714 0.454 6 HN UVR 2 HN UVR 2 7.286 0.044 0.249 7 HA UVR 2 HA UVR 2 7.517 0.498 -2.610 8 HB1 UVR 2 HB1 UVR 2 7.862 2.784 -2.174 9 HB2 UVR 2 HB2 UVR 2 8.378 2.476 -0.521 10 HG1 UVR 2 HG1 UVR 2 6.179 3.582 -0.669 11 HG2 UVR 2 HG2 UVR 2 6.118 2.023 0.157 12 HD1 UVR 2 HD1 UVR 2 5.391 0.995 -2.002 13 HD2 UVR 2 HD2 UVR 2 5.277 2.623 -2.674 14 HE1 UVR 2 HE1 UVR 2 3.304 2.987 -1.699 15 HE2 UVR 2 HE2 UVR 2 3.888 2.406 -0.139 16 HF1 UVR 2 HF1 UVR 2 3.664 0.053 -1.323 17 HF2 UVR 2 HF2 UVR 2 2.490 0.931 -2.314 18 HY1 UVR 2 HY1 UVR 2 2.312 -0.744 1.198 19 HY2 UVR 2 HY2 UVR 2 1.804 -1.327 -0.395 20 HZ1 UVR 2 HZ1 UVR 2 -0.521 -0.548 0.054 21 HZ2 UVR 2 HZ2 UVR 2 -0.053 0.127 1.590 22 HZ3 UVR 2 HZ3 UVR 2 -0.153 -1.546 1.117 23 HQ1 UVR 3 HQ1 UVR 3 11.133 -0.846 2.100 24 HQ2 UVR 3 HQ2 UVR 3 12.343 -1.597 1.071 25 HN UVR 3 HN UVR 3 9.242 0.595 0.430 26 HA UVR 3 HA UVR 3 11.803 -0.197 -0.779 27 HB1 UVR 3 HB1 UVR 3 12.779 0.374 1.414 28 HB2 UVR 3 HB2 UVR 3 11.173 0.866 1.973 29 HD1 UVR 3 HD1 UVR 3 11.358 2.143 -1.409 30 HE1 UVR 3 HE1 UVR 3 12.095 4.609 -1.456 31 HE3 UVR 3 HE3 UVR 3 13.154 2.546 3.362 32 HZ2 UVR 3 HZ2 UVR 3 13.281 6.477 0.297 33 HZ3 UVR 3 HZ3 UVR 3 14.073 4.707 4.097 34 HH2 UVR 3 HH2 UVR 3 14.135 6.630 2.595 35 H LEU 4 HN LEU 4 9.190 -1.382 2.072 36 HA LEU 4 HA LEU 4 9.348 -4.276 2.211 37 HB2 LEU 4 HB2 LEU 4 7.737 -2.367 3.916 38 HB3 LEU 4 HB1 LEU 4 7.939 -4.086 4.198 39 HG LEU 4 HG LEU 4 10.479 -2.657 4.090 40 HD11 LEU 4 HD11 LEU 4 10.301 -1.352 6.025 41 HD12 LEU 4 HD12 LEU 4 8.739 -2.048 6.458 42 HD13 LEU 4 HD13 LEU 4 8.866 -0.949 5.083 43 HD21 LEU 4 HD21 LEU 4 9.976 -5.016 4.892 44 HD22 LEU 4 HD22 LEU 4 9.310 -4.265 6.342 45 HD23 LEU 4 HD23 LEU 4 11.007 -4.027 5.926 Start of MODEL 43 1 H1 ALA 1 HN ALA 1 7.621 -1.502 1.282 2 HA ALA 1 HA ALA 1 5.617 -3.015 -0.230 3 HB1 ALA 1 HB1 ALA 1 4.307 -1.991 1.459 4 HB2 ALA 1 HB2 ALA 1 4.173 -0.909 0.073 5 HB3 ALA 1 HB3 ALA 1 5.256 -0.506 1.404 6 HN UVR 2 HN UVR 2 7.268 0.076 0.235 7 HA UVR 2 HA UVR 2 7.531 0.448 -2.630 8 HB1 UVR 2 HB1 UVR 2 6.537 2.332 -1.276 9 HB2 UVR 2 HB2 UVR 2 7.943 2.775 -2.229 10 HG1 UVR 2 HG1 UVR 2 8.277 3.837 -0.196 11 HG2 UVR 2 HG2 UVR 2 9.290 2.402 -0.086 12 HD1 UVR 2 HD1 UVR 2 8.070 1.519 1.590 13 HD2 UVR 2 HD2 UVR 2 6.542 2.029 0.872 14 HE1 UVR 2 HE1 UVR 2 7.720 4.408 1.634 15 HE2 UVR 2 HE2 UVR 2 8.147 3.300 2.939 16 HF1 UVR 2 HF1 UVR 2 6.120 3.844 3.760 17 HF2 UVR 2 HF2 UVR 2 5.521 2.688 2.562 18 HY1 UVR 2 HY1 UVR 2 5.346 6.045 3.694 19 HY2 UVR 2 HY2 UVR 2 4.381 6.628 2.326 20 HZ1 UVR 2 HZ1 UVR 2 7.169 6.396 1.488 21 HZ2 UVR 2 HZ2 UVR 2 7.058 7.454 2.867 22 HZ3 UVR 2 HZ3 UVR 2 6.285 7.600 1.314 23 HQ1 UVR 3 HQ1 UVR 3 11.125 -0.835 2.110 24 HQ2 UVR 3 HQ2 UVR 3 12.345 -1.583 1.089 25 HN UVR 3 HN UVR 3 9.209 0.515 0.425 26 HA UVR 3 HA UVR 3 11.799 -0.198 -0.770 27 HB1 UVR 3 HB1 UVR 3 12.740 0.372 1.452 28 HB2 UVR 3 HB2 UVR 3 11.129 0.897 1.960 29 HD1 UVR 3 HD1 UVR 3 11.086 2.232 -1.295 30 HE1 UVR 3 HE1 UVR 3 11.994 4.638 -1.422 31 HE3 UVR 3 HE3 UVR 3 13.571 2.400 3.171 32 HZ2 UVR 3 HZ2 UVR 3 13.557 6.375 0.161 33 HZ3 UVR 3 HZ3 UVR 3 14.748 4.472 3.789 34 HH2 UVR 3 HH2 UVR 3 14.740 6.417 2.313 35 H LEU 4 HN LEU 4 9.177 -1.387 2.064 36 HA LEU 4 HA LEU 4 9.351 -4.278 2.220 37 HB2 LEU 4 HB2 LEU 4 7.705 -2.376 3.898 38 HB3 LEU 4 HB1 LEU 4 7.921 -4.092 4.191 39 HG LEU 4 HG LEU 4 10.448 -2.641 4.107 40 HD11 LEU 4 HD11 LEU 4 8.295 -1.778 6.000 41 HD12 LEU 4 HD12 LEU 4 9.429 -0.793 5.077 42 HD13 LEU 4 HD13 LEU 4 9.994 -1.717 6.468 43 HD21 LEU 4 HD21 LEU 4 9.267 -4.237 6.361 44 HD22 LEU 4 HD22 LEU 4 10.967 -3.997 5.954 45 HD23 LEU 4 HD23 LEU 4 9.945 -4.999 4.922 Start of MODEL 44 1 H1 ALA 1 HN ALA 1 7.627 -1.501 1.267 2 HA ALA 1 HA ALA 1 5.614 -3.015 -0.231 3 HB1 ALA 1 HB1 ALA 1 4.366 -0.648 0.122 4 HB2 ALA 1 HB2 ALA 1 5.248 -0.745 1.645 5 HB3 ALA 1 HB3 ALA 1 4.123 -2.026 1.195 6 HN UVR 2 HN UVR 2 7.270 0.069 0.239 7 HA UVR 2 HA UVR 2 7.525 0.460 -2.625 8 HB1 UVR 2 HB1 UVR 2 6.559 2.344 -1.269 9 HB2 UVR 2 HB2 UVR 2 8.004 2.782 -2.167 10 HG1 UVR 2 HG1 UVR 2 9.343 2.667 -0.182 11 HG2 UVR 2 HG2 UVR 2 7.984 2.033 0.748 12 HD1 UVR 2 HD1 UVR 2 8.307 4.406 1.195 13 HD2 UVR 2 HD2 UVR 2 6.762 4.122 0.389 14 HE1 UVR 2 HE1 UVR 2 9.054 4.667 -1.384 15 HE2 UVR 2 HE2 UVR 2 8.522 6.014 -0.375 16 HF1 UVR 2 HF1 UVR 2 6.706 4.397 -2.160 17 HF2 UVR 2 HF2 UVR 2 7.411 5.961 -2.592 18 HY1 UVR 2 HY1 UVR 2 6.997 7.565 0.015 19 HY2 UVR 2 HY2 UVR 2 5.240 7.785 -0.050 20 HZ1 UVR 2 HZ1 UVR 2 5.763 8.041 -2.705 21 HZ2 UVR 2 HZ2 UVR 2 7.282 8.639 -2.099 22 HZ3 UVR 2 HZ3 UVR 2 5.677 9.257 -1.824 23 HQ1 UVR 3 HQ1 UVR 3 11.110 -0.828 2.113 24 HQ2 UVR 3 HQ2 UVR 3 12.346 -1.571 1.107 25 HN UVR 3 HN UVR 3 9.222 0.541 0.430 26 HA UVR 3 HA UVR 3 11.804 -0.196 -0.768 27 HB1 UVR 3 HB1 UVR 3 12.737 0.362 1.467 28 HB2 UVR 3 HB2 UVR 3 11.127 0.913 1.954 29 HD1 UVR 3 HD1 UVR 3 10.598 3.397 1.541 30 HE1 UVR 3 HE1 UVR 3 11.750 5.329 0.290 31 HE3 UVR 3 HE3 UVR 3 14.318 0.762 -0.775 32 HZ2 UVR 3 HZ2 UVR 3 13.945 5.688 -1.449 33 HZ3 UVR 3 HZ3 UVR 3 15.903 1.975 -2.216 34 HH2 UVR 3 HH2 UVR 3 15.718 4.388 -2.545 35 H LEU 4 HN LEU 4 9.175 -1.383 2.051 36 HA LEU 4 HA LEU 4 9.347 -4.276 2.214 37 HB2 LEU 4 HB2 LEU 4 7.714 -2.365 3.895 38 HB3 LEU 4 HB1 LEU 4 7.918 -4.083 4.186 39 HG LEU 4 HG LEU 4 10.447 -2.628 4.099 40 HD11 LEU 4 HD11 LEU 4 8.247 -1.688 5.840 41 HD12 LEU 4 HD12 LEU 4 9.638 -0.816 5.194 42 HD13 LEU 4 HD13 LEU 4 9.833 -1.881 6.586 43 HD21 LEU 4 HD21 LEU 4 10.826 -3.909 6.161 44 HD22 LEU 4 HD22 LEU 4 10.271 -4.933 4.837 45 HD23 LEU 4 HD23 LEU 4 9.152 -4.460 6.115 Start of MODEL 45 1 H1 ALA 1 HN ALA 1 7.655 -1.506 1.225 2 HA ALA 1 HA ALA 1 5.626 -3.024 -0.246 3 HB1 ALA 1 HB1 ALA 1 3.989 -1.993 0.899 4 HB2 ALA 1 HB2 ALA 1 4.571 -0.459 0.252 5 HB3 ALA 1 HB3 ALA 1 5.165 -1.043 1.806 6 HN UVR 2 HN UVR 2 7.286 0.045 0.248 7 HA UVR 2 HA UVR 2 7.518 0.495 -2.611 8 HB1 UVR 2 HB1 UVR 2 7.919 2.786 -2.159 9 HB2 UVR 2 HB2 UVR 2 8.327 2.461 -0.480 10 HG1 UVR 2 HG1 UVR 2 6.238 2.824 0.154 11 HG2 UVR 2 HG2 UVR 2 5.633 1.635 -1.000 12 HD1 UVR 2 HD1 UVR 2 5.374 3.235 -2.691 13 HD2 UVR 2 HD2 UVR 2 6.405 4.403 -1.864 14 HE1 UVR 2 HE1 UVR 2 4.428 5.316 -1.268 15 HE2 UVR 2 HE2 UVR 2 4.486 4.083 -0.006 16 HF1 UVR 2 HF1 UVR 2 2.415 3.605 -0.813 17 HF2 UVR 2 HF2 UVR 2 3.351 2.646 -1.968 18 HY1 UVR 2 HY1 UVR 2 0.628 3.733 -2.517 19 HY2 UVR 2 HY2 UVR 2 0.922 4.605 -4.031 20 HZ1 UVR 2 HZ1 UVR 2 -0.361 6.206 -2.742 21 HZ2 UVR 2 HZ2 UVR 2 1.239 6.687 -2.247 22 HZ3 UVR 2 HZ3 UVR 2 0.074 5.717 -1.388 23 HQ1 UVR 3 HQ1 UVR 3 11.135 -0.848 2.099 24 HQ2 UVR 3 HQ2 UVR 3 12.343 -1.600 1.067 25 HN UVR 3 HN UVR 3 9.241 0.596 0.430 26 HA UVR 3 HA UVR 3 11.803 -0.195 -0.778 27 HB1 UVR 3 HB1 UVR 3 12.776 0.371 1.416 28 HB2 UVR 3 HB2 UVR 3 11.171 0.866 1.973 29 HD1 UVR 3 HD1 UVR 3 10.128 3.105 0.738 30 HE1 UVR 3 HE1 UVR 3 11.343 5.190 -0.155 31 HE3 UVR 3 HE3 UVR 3 14.859 1.199 0.384 32 HZ2 UVR 3 HZ2 UVR 3 13.961 5.930 -0.909 33 HZ3 UVR 3 HZ3 UVR 3 16.662 2.661 -0.433 34 HH2 UVR 3 HH2 UVR 3 16.220 4.978 -1.065 35 H LEU 4 HN LEU 4 9.192 -1.383 2.074 36 HA LEU 4 HA LEU 4 9.347 -4.276 2.210 37 HB2 LEU 4 HB2 LEU 4 7.739 -2.366 3.916 38 HB3 LEU 4 HB1 LEU 4 7.936 -4.087 4.196 39 HG LEU 4 HG LEU 4 10.479 -2.663 4.091 40 HD11 LEU 4 HD11 LEU 4 10.033 -1.783 6.491 41 HD12 LEU 4 HD12 LEU 4 8.344 -1.774 5.984 42 HD13 LEU 4 HD13 LEU 4 9.534 -0.814 5.105 43 HD21 LEU 4 HD21 LEU 4 9.242 -4.342 6.264 44 HD22 LEU 4 HD22 LEU 4 10.953 -3.989 6.022 45 HD23 LEU 4 HD23 LEU 4 10.089 -5.001 4.865 Start of MODEL 46 1 H1 ALA 1 HN ALA 1 7.656 -1.506 1.223 2 HA ALA 1 HA ALA 1 5.628 -3.024 -0.247 3 HB1 ALA 1 HB1 ALA 1 4.056 -2.038 1.049 4 HB2 ALA 1 HB2 ALA 1 4.456 -0.564 0.169 5 HB3 ALA 1 HB3 ALA 1 5.213 -0.894 1.728 6 HN UVR 2 HN UVR 2 7.285 0.046 0.248 7 HA UVR 2 HA UVR 2 7.518 0.497 -2.611 8 HB1 UVR 2 HB1 UVR 2 7.945 2.790 -2.146 9 HB2 UVR 2 HB2 UVR 2 8.307 2.454 -0.458 10 HG1 UVR 2 HG1 UVR 2 5.946 1.924 -0.067 11 HG2 UVR 2 HG2 UVR 2 5.593 2.301 -1.755 12 HD1 UVR 2 HD1 UVR 2 6.565 4.593 -1.315 13 HD2 UVR 2 HD2 UVR 2 6.549 4.172 0.400 14 HE1 UVR 2 HE1 UVR 2 4.136 4.170 -1.412 15 HE2 UVR 2 HE2 UVR 2 4.555 5.455 -0.277 16 HF1 UVR 2 HF1 UVR 2 4.534 3.611 1.514 17 HF2 UVR 2 HF2 UVR 2 3.671 2.646 0.307 18 HY1 UVR 2 HY1 UVR 2 2.927 4.241 3.100 19 HY2 UVR 2 HY2 UVR 2 1.413 3.517 2.530 20 HZ1 UVR 2 HZ1 UVR 2 0.404 5.748 2.266 21 HZ2 UVR 2 HZ2 UVR 2 1.916 6.558 2.569 22 HZ3 UVR 2 HZ3 UVR 2 0.899 5.689 3.685 23 HQ1 UVR 3 HQ1 UVR 3 11.137 -0.848 2.100 24 HQ2 UVR 3 HQ2 UVR 3 12.343 -1.600 1.067 25 HN UVR 3 HN UVR 3 9.242 0.595 0.430 26 HA UVR 3 HA UVR 3 11.802 -0.196 -0.780 27 HB1 UVR 3 HB1 UVR 3 12.780 0.374 1.412 28 HB2 UVR 3 HB2 UVR 3 11.174 0.863 1.974 29 HD1 UVR 3 HD1 UVR 3 12.197 1.940 -1.519 30 HE1 UVR 3 HE1 UVR 3 12.600 4.482 -1.529 31 HE3 UVR 3 HE3 UVR 3 11.982 2.818 3.514 32 HZ2 UVR 3 HZ2 UVR 3 12.798 6.582 0.347 33 HZ3 UVR 3 HZ3 UVR 3 12.289 5.122 4.323 34 HH2 UVR 3 HH2 UVR 3 12.688 6.963 2.771 35 H LEU 4 HN LEU 4 9.192 -1.383 2.074 36 HA LEU 4 HA LEU 4 9.347 -4.276 2.211 37 HB2 LEU 4 HB2 LEU 4 7.746 -2.360 3.917 38 HB3 LEU 4 HB1 LEU 4 7.930 -4.081 4.197 39 HG LEU 4 HG LEU 4 10.480 -2.660 4.093 40 HD11 LEU 4 HD11 LEU 4 9.885 -1.922 6.594 41 HD12 LEU 4 HD12 LEU 4 8.309 -1.680 5.840 42 HD13 LEU 4 HD13 LEU 4 9.726 -0.842 5.209 43 HD21 LEU 4 HD21 LEU 4 9.176 -4.478 6.116 44 HD22 LEU 4 HD22 LEU 4 10.860 -3.952 6.147 45 HD23 LEU 4 HD23 LEU 4 10.275 -4.964 4.825