NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
15564 | 1yjr | 6483 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 H1 MET 1 12.615 -15.032 6.267 2 2H MET 1 H2 MET 1 13.916 -14.320 5.509 3 3H MET 1 H3 MET 1 12.343 -13.980 5.061 4 HA MET 1 HA MET 1 13.452 -15.513 3.503 5 1HB MET 1 2HB MET 1 13.224 -17.325 5.956 6 2HB MET 1 3HB MET 1 13.416 -17.906 4.298 7 1HG MET 1 2HG MET 1 15.567 -16.716 4.104 8 2HG MET 1 3HG MET 1 15.417 -16.165 5.784 9 1HE MET 1 1HE MET 1 18.308 -18.812 5.931 10 2HE MET 1 2HE MET 1 17.959 -17.697 4.589 11 3HE MET 1 3HE MET 1 17.842 -17.130 6.277 12 H GLY 2 H GLY 2 11.598 -15.061 2.375 13 1HA GLY 2 2HA GLY 2 9.371 -14.534 2.143 14 2HA GLY 2 1HA GLY 2 8.929 -15.587 3.503 15 H ASP 3 H ASP 3 7.797 -13.311 3.675 16 HA ASP 3 HA ASP 3 7.360 -11.435 4.817 17 1HB ASP 3 2HB ASP 3 8.037 -12.718 6.814 18 2HB ASP 3 3HB ASP 3 9.702 -12.137 6.628 19 H GLY 4 H GLY 4 8.098 -9.200 5.325 20 1HA GLY 4 2HA GLY 4 10.418 -7.926 4.678 21 2HA GLY 4 1HA GLY 4 9.720 -8.234 3.072 22 H VAL 5 H VAL 5 9.898 -5.665 3.385 23 HA VAL 5 HA VAL 5 7.146 -4.860 3.719 24 HB VAL 5 HB VAL 5 7.451 -3.048 5.180 25 1HG1 VAL 5 1HG1 VAL 5 8.462 -3.835 7.246 26 2HG1 VAL 5 2HG1 VAL 5 7.617 -5.185 6.484 27 3HG1 VAL 5 3HG1 VAL 5 9.386 -5.074 6.390 28 1HG2 VAL 5 1HG2 VAL 5 10.459 -3.299 4.844 29 2HG2 VAL 5 2HG2 VAL 5 9.412 -1.979 4.261 30 3HG2 VAL 5 3HG2 VAL 5 9.647 -2.209 5.989 31 H LEU 6 H LEU 6 6.714 -2.780 2.642 32 HA LEU 6 HA LEU 6 8.934 -1.647 1.076 33 1HB LEU 6 2HB LEU 6 7.623 -3.401 -0.339 34 2HB LEU 6 3HB LEU 6 6.273 -2.244 -0.240 35 HG LEU 6 HG LEU 6 7.888 -0.527 -1.251 36 1HD1 LEU 6 1HD1 LEU 6 9.326 -3.145 -1.947 37 2HD1 LEU 6 2HD1 LEU 6 9.682 -1.585 -2.694 38 3HD1 LEU 6 3HD1 LEU 6 10.008 -1.838 -0.965 39 1HD2 LEU 6 1HD2 LEU 6 6.921 -2.922 -2.848 40 2HD2 LEU 6 2HD2 LEU 6 5.993 -1.461 -2.459 41 3HD2 LEU 6 3HD2 LEU 6 7.392 -1.358 -3.540 42 H GLU 7 H GLU 7 8.700 0.561 0.899 43 HA GLU 7 HA GLU 7 6.199 1.856 1.856 44 1HB GLU 7 2HB GLU 7 8.940 3.064 1.316 45 2HB GLU 7 3HB GLU 7 7.497 3.864 1.935 46 1HG GLU 7 2HG GLU 7 7.593 2.184 3.896 47 2HG GLU 7 3HG GLU 7 9.231 1.799 3.327 48 H LEU 8 H LEU 8 4.893 2.823 0.406 49 HA LEU 8 HA LEU 8 6.029 3.878 -2.084 50 1HB LEU 8 2HB LEU 8 4.122 3.103 -3.433 51 2HB LEU 8 3HB LEU 8 5.068 1.783 -2.787 52 HG LEU 8 HG LEU 8 3.273 1.638 -0.891 53 1HD1 LEU 8 1HD1 LEU 8 1.837 3.271 -3.028 54 2HD1 LEU 8 2HD1 LEU 8 0.999 2.351 -1.766 55 3HD1 LEU 8 3HD1 LEU 8 2.041 3.713 -1.332 56 1HD2 LEU 8 1HD2 LEU 8 1.882 0.196 -2.320 57 2HD2 LEU 8 2HD2 LEU 8 2.609 0.918 -3.768 58 3HD2 LEU 8 3HD2 LEU 8 3.603 -0.050 -2.656 59 H VAL 9 H VAL 9 4.503 5.609 -2.934 60 HA VAL 9 HA VAL 9 3.190 7.088 -0.707 61 HB VAL 9 HB VAL 9 5.196 7.936 -2.803 62 1HG1 VAL 9 1HG1 VAL 9 3.266 9.841 -1.423 63 2HG1 VAL 9 2HG1 VAL 9 4.691 10.302 -2.364 64 3HG1 VAL 9 3HG1 VAL 9 3.331 9.515 -3.171 65 1HG2 VAL 9 1HG2 VAL 9 5.813 7.362 -0.402 66 2HG2 VAL 9 2HG2 VAL 9 6.254 9.012 -0.895 67 3HG2 VAL 9 3HG2 VAL 9 4.827 8.732 0.124 68 H VAL 10 H VAL 10 1.185 7.883 -1.176 69 HA VAL 10 HA VAL 10 0.058 7.093 -3.830 70 HB VAL 10 HB VAL 10 -2.027 6.693 -2.056 71 1HG1 VAL 10 1HG1 VAL 10 -0.188 4.563 -3.167 72 2HG1 VAL 10 2HG1 VAL 10 -1.909 4.450 -2.739 73 3HG1 VAL 10 3HG1 VAL 10 -1.402 5.408 -4.142 74 1HG2 VAL 10 1HG2 VAL 10 -1.245 5.056 -0.480 75 2HG2 VAL 10 2HG2 VAL 10 0.434 5.279 -1.008 76 3HG2 VAL 10 3HG2 VAL 10 -0.411 6.594 -0.150 77 H ARG 11 H ARG 11 -0.220 9.006 -4.749 78 HA ARG 11 HA ARG 11 -1.394 11.281 -3.329 79 1HB ARG 11 2HB ARG 11 -1.328 10.899 -6.330 80 2HB ARG 11 3HB ARG 11 -1.458 12.404 -5.421 81 1HG ARG 11 2HG ARG 11 0.850 11.975 -4.472 82 2HG ARG 11 3HG ARG 11 0.958 10.547 -5.509 83 1HD ARG 11 2HD ARG 11 0.483 12.183 -7.495 84 2HD ARG 11 3HD ARG 11 0.840 13.456 -6.347 85 HE ARG 11 HE ARG 11 3.074 12.951 -6.461 86 1HH1 ARG 11 2HH2 ARG 11 1.401 10.289 -8.211 87 2HH1 ARG 11 1HH2 ARG 11 2.790 9.209 -7.994 88 1HH2 ARG 11 2HH1 ARG 11 4.972 11.565 -6.677 89 2HH2 ARG 11 1HH1 ARG 11 4.724 9.967 -7.368 90 H GLY 12 H GLY 12 -3.588 12.008 -3.620 91 1HA GLY 12 2HA GLY 12 -5.787 11.804 -4.455 92 2HA GLY 12 1HA GLY 12 -5.568 10.080 -4.740 93 H MET 13 H MET 13 -4.257 10.536 -1.704 94 HA MET 13 HA MET 13 -6.533 9.305 -0.456 95 1HB MET 13 2HB MET 13 -3.912 10.279 0.689 96 2HB MET 13 3HB MET 13 -5.130 9.357 1.589 97 1HG MET 13 2HG MET 13 -4.969 7.550 -0.144 98 2HG MET 13 3HG MET 13 -3.592 8.392 -0.845 99 1HE MET 13 1HE MET 13 -1.226 8.712 0.588 100 2HE MET 13 2HE MET 13 -2.156 9.453 1.917 101 3HE MET 13 3HE MET 13 -1.052 8.098 2.247 102 H THR 14 H THR 14 -7.954 11.221 -1.094 103 HA THR 14 HA THR 14 -7.884 13.568 0.469 104 HB THR 14 HB THR 14 -9.087 13.461 -1.588 105 HG1 THR 14 1HG THR 14 -10.961 14.518 -0.833 106 1HG2 THR 14 1HG2 THR 14 -11.141 11.664 -0.220 107 2HG2 THR 14 2HG2 THR 14 -11.284 12.401 -1.822 108 3HG2 THR 14 3HG2 THR 14 -10.044 11.181 -1.533 109 H CYS 15 H CYS 15 -8.212 13.912 2.493 110 HA CYS 15 HA CYS 15 -9.101 14.036 4.560 111 1HB CYS 15 2HB CYS 15 -10.826 14.982 3.057 112 2HB CYS 15 3HB CYS 15 -11.650 13.405 3.039 113 HG CYS 15 HG CYS 15 -10.916 15.415 5.555 114 H ALA 16 H ALA 16 -8.047 12.237 5.497 115 HA ALA 16 HA ALA 16 -7.895 10.333 6.709 116 1HB ALA 16 1HB ALA 16 -9.340 11.550 8.203 117 2HB ALA 16 2HB ALA 16 -10.795 11.039 7.331 118 3HB ALA 16 3HB ALA 16 -9.815 9.841 8.209 119 H SER 17 H SER 17 -11.196 9.403 6.240 120 HA SER 17 HA SER 17 -11.717 7.144 5.678 121 1HB SER 17 2HB SER 17 -12.159 8.875 3.228 122 2HB SER 17 3HB SER 17 -13.251 7.729 4.031 123 HG SER 17 HG SER 17 -12.387 10.312 4.835 124 H CYS 18 H CYS 18 -10.124 8.508 2.762 125 HA CYS 18 HA CYS 18 -9.584 6.255 1.259 126 1HB CYS 18 2HB CYS 18 -8.099 8.849 1.713 127 2HB CYS 18 3HB CYS 18 -7.489 7.600 0.609 128 HG CYS 18 HG CYS 18 -8.829 9.485 -0.695 129 H VAL 19 H VAL 19 -7.605 7.471 3.963 130 HA VAL 19 HA VAL 19 -5.550 5.661 4.175 131 HB VAL 19 HB VAL 19 -7.391 6.831 6.290 132 1HG1 VAL 19 1HG1 VAL 19 -6.466 4.907 7.398 133 2HG1 VAL 19 2HG1 VAL 19 -4.869 5.182 6.687 134 3HG1 VAL 19 3HG1 VAL 19 -5.512 6.300 7.905 135 1HG2 VAL 19 1HG2 VAL 19 -4.542 7.496 5.419 136 2HG2 VAL 19 2HG2 VAL 19 -5.979 8.421 4.966 137 3HG2 VAL 19 3HG2 VAL 19 -5.489 8.336 6.664 138 H HIS 20 H HIS 20 -8.814 5.036 5.646 139 HA HIS 20 HA HIS 20 -7.988 2.311 6.222 140 1HB HIS 20 2HB HIS 20 -9.582 2.316 7.710 141 2HB HIS 20 3HB HIS 20 -9.801 4.024 7.387 142 HD1 HIS 20 1HD HIS 20 -11.954 1.491 8.175 143 HD2 HIS 20 2HD HIS 20 -11.626 3.915 4.763 144 HE1 HIS 20 1HE HIS 20 -14.257 1.545 7.078 145 H LYS 21 H LYS 21 -9.688 3.983 3.671 146 HA LYS 21 HA LYS 21 -10.978 1.795 2.431 147 1HB LYS 21 2HB LYS 21 -10.749 4.466 1.967 148 2HB LYS 21 3HB LYS 21 -9.716 3.900 0.676 149 1HG LYS 21 2HG LYS 21 -12.497 2.733 1.105 150 2HG LYS 21 3HG LYS 21 -12.307 4.276 0.298 151 1HD LYS 21 2HD LYS 21 -10.798 1.798 -0.646 152 2HD LYS 21 3HD LYS 21 -12.453 2.178 -1.166 153 1HE LYS 21 2HE LYS 21 -11.565 4.498 -1.888 154 2HE LYS 21 3HE LYS 21 -9.942 3.849 -1.623 155 1HZ LYS 21 1HZ LYS 21 -10.498 3.604 -3.889 156 2HZ LYS 21 2HZ LYS 21 -10.524 2.111 -3.247 157 3HZ LYS 21 3HZ LYS 21 -11.941 2.890 -3.561 158 H ILE 22 H ILE 22 -7.658 2.951 2.357 159 HA ILE 22 HA ILE 22 -6.764 0.937 0.416 160 HB ILE 22 HB ILE 22 -5.218 2.794 2.283 161 1HG1 ILE 22 2HG1 ILE 22 -5.531 2.889 -0.699 162 2HG1 ILE 22 3HG1 ILE 22 -6.513 3.847 0.443 163 1HG2 ILE 22 1HG2 ILE 22 -4.458 0.954 -0.002 164 2HG2 ILE 22 2HG2 ILE 22 -3.300 2.059 0.781 165 3HG2 ILE 22 3HG2 ILE 22 -3.978 0.695 1.685 166 1HD1 ILE 22 1HD1 ILE 22 -4.814 5.212 1.053 167 2HD1 ILE 22 2HD1 ILE 22 -3.523 4.193 0.352 168 3HD1 ILE 22 3HD1 ILE 22 -4.634 5.083 -0.693 169 H GLU 23 H GLU 23 -6.054 1.660 3.834 170 HA GLU 23 HA GLU 23 -4.578 -0.529 4.402 171 1HB GLU 23 2HB GLU 23 -5.448 1.661 5.768 172 2HB GLU 23 3HB GLU 23 -6.373 0.438 6.633 173 1HG GLU 23 2HG GLU 23 -4.345 -0.663 7.329 174 2HG GLU 23 3HG GLU 23 -3.393 0.274 6.147 175 H SER 24 H SER 24 -8.069 -0.271 4.998 176 HA SER 24 HA SER 24 -8.373 -2.844 6.217 177 1HB SER 24 2HB SER 24 -9.962 -0.915 6.441 178 2HB SER 24 3HB SER 24 -10.501 -1.205 4.776 179 HG SER 24 HG SER 24 -10.600 -3.110 6.886 180 H SER 25 H SER 25 -8.633 -1.668 2.872 181 HA SER 25 HA SER 25 -9.692 -4.136 1.804 182 1HB SER 25 2HB SER 25 -9.911 -1.816 0.810 183 2HB SER 25 3HB SER 25 -8.225 -1.940 0.300 184 HG SER 25 HG SER 25 -9.483 -2.670 -1.364 185 H LEU 26 H LEU 26 -6.387 -2.648 1.981 186 HA LEU 26 HA LEU 26 -5.130 -4.806 0.633 187 1HB LEU 26 2HB LEU 26 -4.170 -2.554 2.355 188 2HB LEU 26 3HB LEU 26 -3.095 -3.938 2.122 189 HG LEU 26 HG LEU 26 -2.743 -2.128 0.531 190 1HD1 LEU 26 1HD1 LEU 26 -3.506 -4.763 -0.799 191 2HD1 LEU 26 2HD1 LEU 26 -2.417 -3.530 -1.431 192 3HD1 LEU 26 3HD1 LEU 26 -1.989 -4.408 0.051 193 1HD2 LEU 26 1HD2 LEU 26 -4.255 -1.871 -1.434 194 2HD2 LEU 26 2HD2 LEU 26 -5.413 -2.982 -0.714 195 3HD2 LEU 26 3HD2 LEU 26 -5.075 -1.427 0.073 196 H THR 27 H THR 27 -5.829 -4.352 4.144 197 HA THR 27 HA THR 27 -4.419 -6.623 4.955 198 HB THR 27 HB THR 27 -6.053 -6.639 6.908 199 HG1 THR 27 1HG THR 27 -7.573 -5.225 5.437 200 1HG2 THR 27 1HG2 THR 27 -5.034 -4.553 7.800 201 2HG2 THR 27 2HG2 THR 27 -3.835 -5.571 6.983 202 3HG2 THR 27 3HG2 THR 27 -4.469 -4.124 6.176 203 H LYS 28 H LYS 28 -7.121 -6.722 2.835 204 HA LYS 28 HA LYS 28 -8.113 -9.350 3.585 205 1HB LYS 28 2HB LYS 28 -8.055 -7.986 0.900 206 2HB LYS 28 3HB LYS 28 -9.091 -9.345 1.345 207 1HG LYS 28 2HG LYS 28 -10.288 -7.970 3.000 208 2HG LYS 28 3HG LYS 28 -9.289 -6.583 2.642 209 1HD LYS 28 2HD LYS 28 -11.459 -7.833 0.976 210 2HD LYS 28 3HD LYS 28 -11.239 -6.157 1.482 211 1HE LYS 28 2HE LYS 28 -9.034 -6.461 -0.184 212 2HE LYS 28 3HE LYS 28 -10.121 -7.659 -0.874 213 1HZ LYS 28 1HZ LYS 28 -10.426 -4.747 -0.589 214 2HZ LYS 28 2HZ LYS 28 -10.402 -5.638 -1.951 215 3HZ LYS 28 3HZ LYS 28 -11.728 -5.716 -0.974 216 H HIS 29 H HIS 29 -5.352 -8.108 1.677 217 HA HIS 29 HA HIS 29 -5.148 -10.324 -0.090 218 1HB HIS 29 2HB HIS 29 -3.177 -8.165 0.737 219 2HB HIS 29 3HB HIS 29 -2.786 -9.449 -0.394 220 HD1 HIS 29 1HD HIS 29 -3.197 -8.747 -2.955 221 HD2 HIS 29 2HD HIS 29 -5.668 -6.813 -0.111 222 HE1 HIS 29 1HE HIS 29 -4.873 -7.412 -4.233 223 H ARG 30 H ARG 30 -4.488 -12.344 0.252 224 HA ARG 30 HA ARG 30 -3.641 -13.160 2.865 225 1HB ARG 30 2HB ARG 30 -5.224 -14.302 1.178 226 2HB ARG 30 3HB ARG 30 -3.773 -14.983 0.447 227 1HG ARG 30 2HG ARG 30 -4.706 -15.280 3.353 228 2HG ARG 30 3HG ARG 30 -4.891 -16.481 2.066 229 1HD ARG 30 2HD ARG 30 -2.402 -16.595 1.850 230 2HD ARG 30 3HD ARG 30 -2.267 -15.515 3.269 231 HE ARG 30 HE ARG 30 -3.913 -17.678 3.999 232 1HH1 ARG 30 2HH2 ARG 30 -0.577 -17.036 3.084 233 2HH1 ARG 30 1HH2 ARG 30 0.125 -18.304 4.040 234 1HH2 ARG 30 2HH1 ARG 30 -3.037 -19.404 5.293 235 2HH2 ARG 30 1HH1 ARG 30 -1.329 -19.694 5.325 236 H GLY 31 H GLY 31 -1.742 -11.697 2.585 237 1HA GLY 31 2HA GLY 31 0.637 -13.189 2.867 238 2HA GLY 31 1HA GLY 31 0.663 -12.454 1.253 239 H ILE 32 H ILE 32 -1.135 -10.482 3.485 240 HA ILE 32 HA ILE 32 1.108 -8.624 3.820 241 HB ILE 32 HB ILE 32 -1.074 -8.197 2.529 242 1HG1 ILE 32 2HG1 ILE 32 0.267 -6.331 2.817 243 2HG1 ILE 32 3HG1 ILE 32 -1.353 -5.869 3.299 244 1HG2 ILE 32 1HG2 ILE 32 -2.169 -7.673 5.291 245 2HG2 ILE 32 2HG2 ILE 32 -2.956 -7.550 3.700 246 3HG2 ILE 32 3HG2 ILE 32 -2.540 -9.133 4.356 247 1HD1 ILE 32 1HD1 ILE 32 -0.687 -6.162 5.713 248 2HD1 ILE 32 2HD1 ILE 32 0.960 -6.496 5.136 249 3HD1 ILE 32 3HD1 ILE 32 0.234 -4.919 4.856 250 H LEU 33 H LEU 33 1.799 -8.302 5.905 251 HA LEU 33 HA LEU 33 0.474 -9.668 8.187 252 1HB LEU 33 2HB LEU 33 3.098 -8.109 8.015 253 2HB LEU 33 3HB LEU 33 2.436 -8.868 9.446 254 HG LEU 33 HG LEU 33 4.195 -10.151 8.584 255 1HD1 LEU 33 1HD1 LEU 33 2.272 -11.336 9.638 256 2HD1 LEU 33 2HD1 LEU 33 1.612 -11.667 8.018 257 3HD1 LEU 33 3HD1 LEU 33 3.173 -12.354 8.500 258 1HD2 LEU 33 1HD2 LEU 33 4.291 -11.304 6.485 259 2HD2 LEU 33 2HD2 LEU 33 2.733 -10.654 5.968 260 3HD2 LEU 33 3HD2 LEU 33 4.134 -9.573 6.189 261 H TYR 34 H TYR 34 1.727 -6.416 7.323 262 HA TYR 34 HA TYR 34 -0.494 -5.144 8.855 263 1HB TYR 34 2HB TYR 34 1.485 -5.671 10.367 264 2HB TYR 34 3HB TYR 34 2.451 -4.590 9.381 265 HD1 TYR 34 HD1 TYR 34 2.365 -2.194 9.749 266 HD2 TYR 34 HD2 TYR 34 -0.594 -4.757 11.552 267 HE1 TYR 34 HE1 TYR 34 1.824 -0.420 11.407 268 HE2 TYR 34 HE2 TYR 34 -1.281 -2.907 13.046 269 HH TYR 34 HH TYR 34 -0.891 -0.720 13.690 270 H CYS 35 H CYS 35 -1.089 -3.137 8.055 271 HA CYS 35 HA CYS 35 0.557 -1.920 5.861 272 1HB CYS 35 2HB CYS 35 -2.434 -1.774 6.440 273 2HB CYS 35 3HB CYS 35 -1.579 -0.678 5.347 274 HG CYS 35 HG CYS 35 -1.077 -2.019 3.544 275 H SER 36 H SER 36 0.686 0.408 5.928 276 HA SER 36 HA SER 36 -0.683 1.809 8.102 277 1HB SER 36 2HB SER 36 2.297 2.259 7.829 278 2HB SER 36 3HB SER 36 1.181 2.984 8.993 279 HG SER 36 HG SER 36 0.841 0.484 9.393 280 H VAL 37 H VAL 37 -1.948 2.809 6.411 281 HA VAL 37 HA VAL 37 -0.650 4.381 4.343 282 HB VAL 37 HB VAL 37 -3.517 3.855 5.191 283 1HG1 VAL 37 1HG1 VAL 37 -4.031 4.505 2.935 284 2HG1 VAL 37 2HG1 VAL 37 -3.177 5.843 3.717 285 3HG1 VAL 37 3HG1 VAL 37 -2.317 4.794 2.556 286 1HG2 VAL 37 1HG2 VAL 37 -2.288 1.718 4.594 287 2HG2 VAL 37 2HG2 VAL 37 -3.539 2.149 3.465 288 3HG2 VAL 37 3HG2 VAL 37 -1.841 2.467 3.051 289 H ALA 38 H ALA 38 0.481 6.006 5.569 290 HA ALA 38 HA ALA 38 -1.107 7.662 7.455 291 1HB ALA 38 1HB ALA 38 1.158 7.151 8.153 292 2HB ALA 38 2HB ALA 38 1.804 7.910 6.670 293 3HB ALA 38 3HB ALA 38 0.890 8.889 7.851 294 H LEU 39 H LEU 39 -1.963 9.513 6.923 295 HA LEU 39 HA LEU 39 -2.083 10.224 4.108 296 1HB LEU 39 2HB LEU 39 -3.887 11.643 4.599 297 2HB LEU 39 3HB LEU 39 -4.062 10.147 5.499 298 HG LEU 39 HG LEU 39 -2.922 11.619 7.463 299 1HD1 LEU 39 1HD1 LEU 39 -2.754 13.705 5.984 300 2HD1 LEU 39 2HD1 LEU 39 -4.512 13.661 5.822 301 3HD1 LEU 39 3HD1 LEU 39 -3.772 13.926 7.411 302 1HD2 LEU 39 1HD2 LEU 39 -5.840 11.718 6.615 303 2HD2 LEU 39 2HD2 LEU 39 -5.070 10.474 7.626 304 3HD2 LEU 39 3HD2 LEU 39 -5.227 12.130 8.232 305 H ALA 40 H ALA 40 -0.843 11.845 7.048 306 HA ALA 40 HA ALA 40 -0.173 14.309 5.844 307 1HB ALA 40 1HB ALA 40 -0.247 13.958 8.278 308 2HB ALA 40 2HB ALA 40 1.166 12.882 8.187 309 3HB ALA 40 3HB ALA 40 1.329 14.604 7.781 310 H THR 41 H THR 41 1.809 11.342 6.309 311 HA THR 41 HA THR 41 4.082 12.316 4.874 312 HB THR 41 HB THR 41 3.407 9.402 5.281 313 HG1 THR 41 1HG THR 41 4.001 11.196 7.387 314 1HG2 THR 41 1HG2 THR 41 5.896 11.077 5.896 315 2HG2 THR 41 2HG2 THR 41 5.751 9.318 6.069 316 3HG2 THR 41 3HG2 THR 41 5.667 10.066 4.455 317 H ASN 42 H ASN 42 0.994 11.387 3.807 318 HA ASN 42 HA ASN 42 0.051 10.464 2.077 319 1HB ASN 42 2HB ASN 42 1.037 12.582 1.116 320 2HB ASN 42 3HB ASN 42 2.372 11.614 0.468 321 1HD2 ASN 42 1HD2 ASN 42 -1.261 11.468 0.623 322 2HD2 ASN 42 2HD2 ASN 42 -1.396 10.751 -0.984 323 H LYS 43 H LYS 43 1.587 8.600 3.496 324 HA LYS 43 HA LYS 43 3.079 7.047 1.422 325 1HB LYS 43 2HB LYS 43 4.549 8.180 3.081 326 2HB LYS 43 3HB LYS 43 3.774 7.209 4.355 327 1HG LYS 43 2HG LYS 43 4.433 5.142 2.966 328 2HG LYS 43 3HG LYS 43 5.383 6.217 1.949 329 1HD LYS 43 2HD LYS 43 5.723 5.795 4.966 330 2HD LYS 43 3HD LYS 43 6.603 4.954 3.702 331 1HE LYS 43 2HE LYS 43 7.365 7.333 2.895 332 2HE LYS 43 3HE LYS 43 6.777 7.878 4.474 333 1HZ LYS 43 1HZ LYS 43 9.029 6.110 3.838 334 2HZ LYS 43 2HZ LYS 43 8.985 7.350 4.932 335 3HZ LYS 43 3HZ LYS 43 8.313 5.838 5.205 336 H ALA 44 H ALA 44 2.554 4.953 1.227 337 HA ALA 44 HA ALA 44 1.052 3.605 3.433 338 1HB ALA 44 1HB ALA 44 0.269 1.974 1.830 339 2HB ALA 44 2HB ALA 44 -0.302 3.595 1.373 340 3HB ALA 44 3HB ALA 44 1.057 2.847 0.509 341 H HIS 45 H HIS 45 2.506 2.576 4.639 342 HA HIS 45 HA HIS 45 4.626 1.089 3.157 343 1HB HIS 45 2HB HIS 45 5.917 0.809 4.896 344 2HB HIS 45 3HB HIS 45 5.280 2.400 5.285 345 HD1 HIS 45 1HD HIS 45 4.947 2.464 7.826 346 HD2 HIS 45 2HD HIS 45 4.434 -1.360 6.152 347 HE1 HIS 45 1HE HIS 45 4.653 0.851 9.769 348 H ILE 46 H ILE 46 4.532 -1.083 3.037 349 HA ILE 46 HA ILE 46 2.219 -2.458 4.316 350 HB ILE 46 HB ILE 46 3.271 -3.032 1.523 351 1HG1 ILE 46 2HG1 ILE 46 0.768 -2.308 0.979 352 2HG1 ILE 46 3HG1 ILE 46 0.963 -1.286 2.405 353 1HG2 ILE 46 1HG2 ILE 46 1.446 -4.584 1.392 354 2HG2 ILE 46 2HG2 ILE 46 2.204 -4.900 2.954 355 3HG2 ILE 46 3HG2 ILE 46 0.714 -3.943 2.873 356 1HD1 ILE 46 1HD1 ILE 46 2.965 -0.224 1.275 357 2HD1 ILE 46 2HD1 ILE 46 2.727 -1.319 -0.098 358 3HD1 ILE 46 3HD1 ILE 46 1.496 -0.101 0.297 359 H LYS 47 H LYS 47 2.891 -4.079 5.496 360 HA LYS 47 HA LYS 47 5.619 -5.252 5.206 361 1HB LYS 47 2HB LYS 47 3.632 -5.586 7.476 362 2HB LYS 47 3HB LYS 47 5.269 -6.230 7.333 363 1HG LYS 47 2HG LYS 47 5.935 -3.669 7.119 364 2HG LYS 47 3HG LYS 47 4.314 -3.402 7.796 365 1HD LYS 47 2HD LYS 47 4.894 -5.041 9.647 366 2HD LYS 47 3HD LYS 47 6.491 -5.235 8.935 367 1HE LYS 47 2HE LYS 47 6.666 -3.723 10.825 368 2HE LYS 47 3HE LYS 47 7.021 -2.847 9.328 369 1HZ LYS 47 1HZ LYS 47 4.852 -1.878 9.400 370 2HZ LYS 47 2HZ LYS 47 4.402 -2.800 10.697 371 3HZ LYS 47 3HZ LYS 47 5.560 -1.645 10.857 372 H TYR 48 H TYR 48 4.870 -6.348 3.233 373 HA TYR 48 HA TYR 48 3.199 -8.712 3.780 374 1HB TYR 48 2HB TYR 48 2.604 -8.662 1.368 375 2HB TYR 48 3HB TYR 48 2.226 -7.095 2.059 376 HD1 TYR 48 HD1 TYR 48 4.213 -8.868 -0.418 377 HD2 TYR 48 HD2 TYR 48 3.990 -5.196 1.783 378 HE1 TYR 48 HE1 TYR 48 5.794 -7.814 -1.997 379 HE2 TYR 48 HE2 TYR 48 5.583 -4.181 0.285 380 HH TYR 48 HH TYR 48 7.218 -6.052 -2.304 381 H ASP 49 H ASP 49 3.744 -10.608 2.369 382 HA ASP 49 HA ASP 49 6.604 -11.069 2.495 383 1HB ASP 49 2HB ASP 49 5.069 -12.763 3.209 384 2HB ASP 49 3HB ASP 49 4.299 -12.798 1.620 385 HA PRO 50 HA PRO 50 6.819 -9.697 -1.827 386 1HB PRO 50 2HB PRO 50 9.520 -9.569 -2.151 387 2HB PRO 50 3HB PRO 50 8.605 -8.384 -1.167 388 1HG PRO 50 2HG PRO 50 10.049 -10.868 -0.186 389 2HG PRO 50 3HG PRO 50 10.224 -9.198 0.432 390 1HD PRO 50 2HD PRO 50 8.567 -10.970 1.618 391 2HD PRO 50 3HD PRO 50 8.054 -9.256 1.427 392 H GLU 51 H GLU 51 7.661 -12.841 -0.618 393 HA GLU 51 HA GLU 51 8.890 -13.740 -3.139 394 1HB GLU 51 2HB GLU 51 8.117 -15.325 -0.659 395 2HB GLU 51 3HB GLU 51 9.166 -15.832 -1.990 396 1HG GLU 51 2HG GLU 51 9.764 -13.593 0.006 397 2HG GLU 51 3HG GLU 51 10.465 -15.216 0.003 398 H ILE 52 H ILE 52 5.939 -14.182 -1.162 399 HA ILE 52 HA ILE 52 4.660 -15.747 -3.332 400 HB ILE 52 HB ILE 52 2.643 -15.657 -1.790 401 1HG1 ILE 52 2HG1 ILE 52 4.483 -15.276 0.514 402 2HG1 ILE 52 3HG1 ILE 52 3.995 -13.792 -0.302 403 1HG2 ILE 52 1HG2 ILE 52 4.044 -17.637 -2.105 404 2HG2 ILE 52 2HG2 ILE 52 5.219 -17.024 -0.921 405 3HG2 ILE 52 3HG2 ILE 52 3.585 -17.485 -0.400 406 1HD1 ILE 52 1HD1 ILE 52 2.097 -15.932 0.772 407 2HD1 ILE 52 2HD1 ILE 52 2.459 -14.381 1.551 408 3HD1 ILE 52 3HD1 ILE 52 1.608 -14.411 -0.008 409 H ILE 53 H ILE 53 2.927 -13.186 -1.651 410 HA ILE 53 HA ILE 53 1.366 -12.561 -3.882 411 HB ILE 53 HB ILE 53 0.504 -12.120 -1.751 412 1HG1 ILE 53 2HG1 ILE 53 1.135 -9.326 -2.797 413 2HG1 ILE 53 3HG1 ILE 53 0.048 -10.439 -3.644 414 1HG2 ILE 53 1HG2 ILE 53 2.745 -10.154 -1.226 415 2HG2 ILE 53 2HG2 ILE 53 1.424 -10.499 -0.118 416 3HG2 ILE 53 3HG2 ILE 53 2.606 -11.742 -0.441 417 1HD1 ILE 53 1HD1 ILE 53 -0.365 -9.559 -0.746 418 2HD1 ILE 53 2HD1 ILE 53 -1.135 -8.841 -2.144 419 3HD1 ILE 53 3HD1 ILE 53 -1.436 -10.555 -1.763 420 H GLY 54 H GLY 54 4.220 -10.832 -2.613 421 1HA GLY 54 2HA GLY 54 5.814 -9.705 -3.819 422 2HA GLY 54 1HA GLY 54 4.950 -10.053 -5.316 423 HA PRO 55 HA PRO 55 4.563 -5.517 -3.806 424 1HB PRO 55 2HB PRO 55 6.116 -4.309 -5.761 425 2HB PRO 55 3HB PRO 55 6.750 -4.890 -4.207 426 1HG PRO 55 2HG PRO 55 6.805 -6.320 -6.867 427 2HG PRO 55 3HG PRO 55 8.138 -6.126 -5.694 428 1HD PRO 55 2HD PRO 55 6.673 -8.409 -5.788 429 2HD PRO 55 3HD PRO 55 7.175 -7.738 -4.215 430 H ARG 56 H ARG 56 4.562 -6.967 -7.050 431 HA ARG 56 HA ARG 56 3.369 -4.841 -8.403 432 1HB ARG 56 2HB ARG 56 4.562 -7.095 -9.183 433 2HB ARG 56 3HB ARG 56 2.911 -7.699 -9.283 434 1HG ARG 56 2HG ARG 56 3.692 -6.926 -11.430 435 2HG ARG 56 3HG ARG 56 2.380 -5.893 -10.902 436 1HD ARG 56 2HD ARG 56 5.000 -4.854 -10.017 437 2HD ARG 56 3HD ARG 56 5.007 -5.161 -11.756 438 HE ARG 56 HE ARG 56 2.705 -3.803 -11.600 439 1HH1 ARG 56 2HH2 ARG 56 5.912 -2.977 -10.347 440 2HH1 ARG 56 1HH2 ARG 56 5.615 -1.265 -10.383 441 1HH2 ARG 56 2HH1 ARG 56 2.299 -1.689 -11.624 442 2HH2 ARG 56 1HH1 ARG 56 3.470 -0.471 -11.162 443 H ASP 57 H ASP 57 1.777 -7.727 -6.995 444 HA ASP 57 HA ASP 57 -0.877 -7.273 -7.751 445 1HB ASP 57 2HB ASP 57 -0.099 -9.320 -6.545 446 2HB ASP 57 3HB ASP 57 0.189 -8.366 -5.093 447 H ILE 58 H ILE 58 0.748 -6.286 -4.767 448 HA ILE 58 HA ILE 58 -1.264 -4.624 -3.663 449 HB ILE 58 HB ILE 58 1.758 -4.712 -3.404 450 1HG1 ILE 58 2HG1 ILE 58 -0.366 -5.462 -1.362 451 2HG1 ILE 58 3HG1 ILE 58 0.105 -6.603 -2.621 452 1HG2 ILE 58 1HG2 ILE 58 -0.181 -3.007 -1.784 453 2HG2 ILE 58 2HG2 ILE 58 1.512 -3.313 -1.357 454 3HG2 ILE 58 3HG2 ILE 58 1.131 -2.421 -2.824 455 1HD1 ILE 58 1HD1 ILE 58 1.355 -7.021 -0.592 456 2HD1 ILE 58 2HD1 ILE 58 2.428 -6.542 -1.925 457 3HD1 ILE 58 3HD1 ILE 58 2.040 -5.380 -0.643 458 H ILE 59 H ILE 59 1.583 -3.531 -5.601 459 HA ILE 59 HA ILE 59 0.767 -0.854 -5.669 460 HB ILE 59 HB ILE 59 2.423 -2.539 -7.556 461 1HG1 ILE 59 2HG1 ILE 59 3.237 -0.264 -5.719 462 2HG1 ILE 59 3HG1 ILE 59 3.184 -1.950 -5.195 463 1HG2 ILE 59 1HG2 ILE 59 1.958 0.458 -7.755 464 2HG2 ILE 59 2HG2 ILE 59 3.190 -0.445 -8.649 465 3HG2 ILE 59 3HG2 ILE 59 1.488 -0.759 -8.966 466 1HD1 ILE 59 1HD1 ILE 59 4.781 -2.542 -7.041 467 2HD1 ILE 59 2HD1 ILE 59 4.974 -0.802 -7.368 468 3HD1 ILE 59 3HD1 ILE 59 5.438 -1.464 -5.795 469 H HIS 60 H HIS 60 -0.348 -3.495 -7.784 470 HA HIS 60 HA HIS 60 -1.835 -1.571 -9.446 471 1HB HIS 60 2HB HIS 60 -1.596 -4.561 -9.561 472 2HB HIS 60 3HB HIS 60 -2.844 -3.686 -10.463 473 HD1 HIS 60 1HD HIS 60 -1.843 -1.557 -12.089 474 HD2 HIS 60 2HD HIS 60 0.854 -4.378 -10.532 475 HE1 HIS 60 1HE HIS 60 0.323 -1.245 -13.347 476 H THR 61 H THR 61 -2.542 -3.635 -6.669 477 HA THR 61 HA THR 61 -5.416 -3.310 -6.790 478 HB THR 61 HB THR 61 -3.575 -3.679 -4.380 479 HG1 THR 61 1HG THR 61 -3.456 -5.375 -5.898 480 1HG2 THR 61 1HG2 THR 61 -6.565 -4.187 -4.687 481 2HG2 THR 61 2HG2 THR 61 -5.572 -4.480 -3.245 482 3HG2 THR 61 3HG2 THR 61 -5.857 -2.830 -3.781 483 H ILE 62 H ILE 62 -2.751 -1.527 -5.245 484 HA ILE 62 HA ILE 62 -4.282 0.495 -3.990 485 HB ILE 62 HB ILE 62 -1.410 0.444 -4.994 486 1HG1 ILE 62 2HG1 ILE 62 -2.236 -1.323 -3.196 487 2HG1 ILE 62 3HG1 ILE 62 -0.723 -0.432 -2.964 488 1HG2 ILE 62 1HG2 ILE 62 -2.851 2.359 -3.127 489 2HG2 ILE 62 2HG2 ILE 62 -1.079 2.214 -3.218 490 3HG2 ILE 62 3HG2 ILE 62 -2.006 2.743 -4.631 491 1HD1 ILE 62 1HD1 ILE 62 -1.871 1.052 -1.397 492 2HD1 ILE 62 2HD1 ILE 62 -3.427 0.285 -1.845 493 3HD1 ILE 62 3HD1 ILE 62 -2.158 -0.647 -1.000 494 H GLU 63 H GLU 63 -2.576 0.470 -7.158 495 HA GLU 63 HA GLU 63 -3.303 2.922 -8.226 496 1HB GLU 63 2HB GLU 63 -1.720 1.208 -9.109 497 2HB GLU 63 3HB GLU 63 -3.098 0.173 -9.495 498 1HG GLU 63 2HG GLU 63 -3.891 1.844 -11.089 499 2HG GLU 63 3HG GLU 63 -2.422 2.806 -10.788 500 H SER 64 H SER 64 -5.004 -0.215 -8.652 501 HA SER 64 HA SER 64 -7.256 0.783 -9.961 502 1HB SER 64 2HB SER 64 -6.542 -1.559 -9.925 503 2HB SER 64 3HB SER 64 -7.100 -1.709 -8.243 504 HG SER 64 HG SER 64 -9.186 -0.836 -9.266 505 H LEU 65 H LEU 65 -6.670 0.550 -6.441 506 HA LEU 65 HA LEU 65 -9.387 1.137 -5.694 507 1HB LEU 65 2HB LEU 65 -6.733 1.366 -4.252 508 2HB LEU 65 3HB LEU 65 -8.236 1.872 -3.487 509 HG LEU 65 HG LEU 65 -7.865 -0.934 -4.596 510 1HD1 LEU 65 1HD1 LEU 65 -7.436 0.091 -1.754 511 2HD1 LEU 65 2HD1 LEU 65 -7.409 -1.612 -2.258 512 3HD1 LEU 65 3HD1 LEU 65 -6.167 -0.495 -2.847 513 1HD2 LEU 65 1HD2 LEU 65 -10.238 -0.225 -4.210 514 2HD2 LEU 65 2HD2 LEU 65 -9.718 -1.494 -3.108 515 3HD2 LEU 65 3HD2 LEU 65 -9.815 0.178 -2.529 516 H GLY 66 H GLY 66 -6.964 3.128 -7.119 517 1HA GLY 66 2HA GLY 66 -7.695 5.067 -8.211 518 2HA GLY 66 1HA GLY 66 -8.905 5.382 -6.961 519 H PHE 67 H PHE 67 -5.371 4.714 -6.934 520 HA PHE 67 HA PHE 67 -4.803 7.381 -5.810 521 1HB PHE 67 2HB PHE 67 -3.797 4.770 -4.588 522 2HB PHE 67 3HB PHE 67 -3.428 6.416 -4.045 523 HD1 PHE 67 HD1 PHE 67 -5.607 3.615 -3.541 524 HD2 PHE 67 HD2 PHE 67 -5.474 7.912 -3.455 525 HE1 PHE 67 HE1 PHE 67 -7.536 3.645 -1.979 526 HE2 PHE 67 HE2 PHE 67 -7.533 7.945 -2.083 527 HZ PHE 67 HZ PHE 67 -8.464 5.836 -1.193 528 H GLU 68 H GLU 68 -2.380 7.736 -5.864 529 HA GLU 68 HA GLU 68 -1.195 6.288 -8.197 530 1HB GLU 68 2HB GLU 68 -0.378 8.928 -6.972 531 2HB GLU 68 3HB GLU 68 0.248 8.181 -8.445 532 1HG GLU 68 2HG GLU 68 -1.917 8.504 -9.557 533 2HG GLU 68 3HG GLU 68 -2.616 9.164 -8.062 534 HA PRO 69 HA PRO 69 1.455 4.738 -4.781 535 1HB PRO 69 2HB PRO 69 1.892 2.189 -5.708 536 2HB PRO 69 3HB PRO 69 0.468 2.687 -4.774 537 1HG PRO 69 2HG PRO 69 0.682 2.387 -7.756 538 2HG PRO 69 3HG PRO 69 -0.604 1.813 -6.654 539 1HD PRO 69 2HD PRO 69 -0.800 4.120 -8.124 540 2HD PRO 69 3HD PRO 69 -1.537 3.966 -6.506 541 H SER 70 H SER 70 2.733 6.461 -5.772 542 HA SER 70 HA SER 70 4.857 5.775 -7.674 543 1HB SER 70 2HB SER 70 4.432 7.983 -5.616 544 2HB SER 70 3HB SER 70 5.957 7.791 -6.502 545 HG SER 70 HG SER 70 4.967 8.068 -8.406 546 H LEU 71 H LEU 71 6.961 5.091 -7.111 547 HA LEU 71 HA LEU 71 7.224 3.713 -4.491 548 1HB LEU 71 2HB LEU 71 8.814 3.827 -7.045 549 2HB LEU 71 3HB LEU 71 9.552 3.175 -5.570 550 HG LEU 71 HG LEU 71 6.869 2.191 -6.595 551 1HD1 LEU 71 1HD1 LEU 71 8.089 0.380 -7.782 552 2HD1 LEU 71 2HD1 LEU 71 8.464 1.973 -8.459 553 3HD1 LEU 71 3HD1 LEU 71 9.633 1.169 -7.391 554 1HD2 LEU 71 1HD2 LEU 71 7.494 0.130 -5.411 555 2HD2 LEU 71 2HD2 LEU 71 9.050 0.842 -4.942 556 3HD2 LEU 71 3HD2 LEU 71 7.527 1.498 -4.290 557 H VAL 72 H VAL 72 8.860 4.195 -3.053 558 HA VAL 72 HA VAL 72 9.400 7.074 -2.741 559 HB VAL 72 HB VAL 72 9.773 4.626 -0.974 560 1HG1 VAL 72 1HG1 VAL 72 11.624 6.126 -0.382 561 2HG1 VAL 72 2HG1 VAL 72 10.516 7.517 -0.349 562 3HG1 VAL 72 3HG1 VAL 72 10.367 6.217 0.853 563 1HG2 VAL 72 1HG2 VAL 72 7.464 5.537 -1.290 564 2HG2 VAL 72 2HG2 VAL 72 8.044 5.714 0.375 565 3HG2 VAL 72 3HG2 VAL 72 8.052 7.112 -0.719 566 H LYS 73 H LYS 73 11.269 4.079 -3.095 567 HA LYS 73 HA LYS 73 13.812 5.192 -2.575 568 1HB LYS 73 2HB LYS 73 13.045 2.685 -4.152 569 2HB LYS 73 3HB LYS 73 14.667 3.120 -3.643 570 1HG LYS 73 2HG LYS 73 13.933 1.524 -2.106 571 2HG LYS 73 3HG LYS 73 13.982 3.066 -1.264 572 1HD LYS 73 2HD LYS 73 12.081 1.637 -0.634 573 2HD LYS 73 3HD LYS 73 11.558 3.202 -1.227 574 1HE LYS 73 2HE LYS 73 10.946 2.161 -3.441 575 2HE LYS 73 3HE LYS 73 11.662 0.638 -2.912 576 1HZ LYS 73 1HZ LYS 73 9.244 1.868 -1.673 577 2HZ LYS 73 2HZ LYS 73 9.288 0.636 -2.738 578 3HZ LYS 73 3HZ LYS 73 9.970 0.453 -1.266 579 H ILE 74 H ILE 74 12.072 4.561 -5.595 580 HA ILE 74 HA ILE 74 13.474 6.551 -7.100 581 HB ILE 74 HB ILE 74 14.139 5.160 -8.928 582 1HG1 ILE 74 2HG1 ILE 74 12.554 3.365 -8.980 583 2HG1 ILE 74 3HG1 ILE 74 14.189 2.734 -8.951 584 1HG2 ILE 74 1HG2 ILE 74 15.395 3.956 -6.445 585 2HG2 ILE 74 2HG2 ILE 74 16.060 3.998 -8.084 586 3HG2 ILE 74 3HG2 ILE 74 15.815 5.508 -7.196 587 1HD1 ILE 74 1HD1 ILE 74 13.899 2.231 -6.488 588 2HD1 ILE 74 2HD1 ILE 74 12.190 2.714 -6.659 589 3HD1 ILE 74 3HD1 ILE 74 12.819 1.345 -7.575 590 H GLU 75 H GLU 75 12.297 5.975 -9.560 591 HA GLU 75 HA GLU 75 9.622 4.925 -9.237 592 1HB GLU 75 2HB GLU 75 10.357 7.547 -10.621 593 2HB GLU 75 3HB GLU 75 8.893 6.627 -10.992 594 1HG GLU 75 2HG GLU 75 9.389 7.480 -8.123 595 2HG GLU 75 3HG GLU 75 8.804 8.657 -9.308 Start of MODEL 2 1 1H MET 1 H1 MET 1 9.920 -13.778 0.335 2 2H MET 1 H2 MET 1 10.597 -15.219 -0.121 3 3H MET 1 H3 MET 1 9.456 -15.084 1.093 4 HA MET 1 HA MET 1 11.760 -15.505 1.844 5 1HB MET 1 2HB MET 1 12.782 -14.027 0.105 6 2HB MET 1 3HB MET 1 12.202 -12.610 0.988 7 1HG MET 1 2HG MET 1 13.560 -13.313 2.951 8 2HG MET 1 3HG MET 1 14.054 -14.771 2.078 9 1HE MET 1 1HE MET 1 16.128 -12.902 3.500 10 2HE MET 1 2HE MET 1 16.573 -14.348 2.556 11 3HE MET 1 3HE MET 1 17.389 -12.798 2.246 12 H GLY 2 H GLY 2 10.334 -12.138 2.190 13 1HA GLY 2 2HA GLY 2 8.961 -12.484 4.562 14 2HA GLY 2 1HA GLY 2 10.657 -12.199 5.032 15 H ASP 3 H ASP 3 9.202 -10.234 5.900 16 HA ASP 3 HA ASP 3 8.004 -8.291 4.736 17 1HB ASP 3 2HB ASP 3 10.222 -7.978 6.775 18 2HB ASP 3 3HB ASP 3 8.978 -6.766 6.428 19 H GLY 4 H GLY 4 8.739 -8.165 2.499 20 1HA GLY 4 2HA GLY 4 10.810 -6.133 1.904 21 2HA GLY 4 1HA GLY 4 9.543 -6.745 0.824 22 H VAL 5 H VAL 5 10.141 -4.675 3.643 23 HA VAL 5 HA VAL 5 7.512 -3.471 3.671 24 HB VAL 5 HB VAL 5 10.077 -2.300 4.812 25 1HG1 VAL 5 1HG1 VAL 5 8.167 -0.717 4.744 26 2HG1 VAL 5 2HG1 VAL 5 7.120 -1.925 5.503 27 3HG1 VAL 5 3HG1 VAL 5 8.483 -1.229 6.402 28 1HG2 VAL 5 1HG2 VAL 5 9.275 -3.390 6.957 29 2HG2 VAL 5 2HG2 VAL 5 8.151 -4.352 5.975 30 3HG2 VAL 5 3HG2 VAL 5 9.903 -4.510 5.751 31 H LEU 6 H LEU 6 7.510 -3.340 1.277 32 HA LEU 6 HA LEU 6 9.204 -1.272 0.036 33 1HB LEU 6 2HB LEU 6 8.883 -3.489 -0.967 34 2HB LEU 6 3HB LEU 6 7.160 -3.195 -1.130 35 HG LEU 6 HG LEU 6 8.527 -2.998 -3.201 36 1HD1 LEU 6 1HD1 LEU 6 6.295 -1.886 -3.001 37 2HD1 LEU 6 2HD1 LEU 6 7.133 -0.374 -2.594 38 3HD1 LEU 6 3HD1 LEU 6 7.398 -1.134 -4.164 39 1HD2 LEU 6 1HD2 LEU 6 9.574 -0.377 -2.056 40 2HD2 LEU 6 2HD2 LEU 6 10.516 -1.884 -2.182 41 3HD2 LEU 6 3HD2 LEU 6 9.919 -1.079 -3.645 42 H GLU 7 H GLU 7 8.470 0.720 0.704 43 HA GLU 7 HA GLU 7 5.680 1.378 0.958 44 1HB GLU 7 2HB GLU 7 8.072 3.239 0.632 45 2HB GLU 7 3HB GLU 7 6.460 3.649 1.237 46 1HG GLU 7 2HG GLU 7 6.872 1.997 3.135 47 2HG GLU 7 3HG GLU 7 8.563 1.914 2.603 48 H LEU 8 H LEU 8 4.348 2.456 -0.465 49 HA LEU 8 HA LEU 8 5.500 3.353 -3.062 50 1HB LEU 8 2HB LEU 8 2.885 3.073 -3.701 51 2HB LEU 8 3HB LEU 8 4.130 1.921 -4.129 52 HG LEU 8 HG LEU 8 2.674 1.540 -1.503 53 1HD1 LEU 8 1HD1 LEU 8 0.883 1.913 -3.116 54 2HD1 LEU 8 2HD1 LEU 8 1.607 0.720 -4.225 55 3HD1 LEU 8 3HD1 LEU 8 0.991 0.212 -2.635 56 1HD2 LEU 8 1HD2 LEU 8 3.129 -0.833 -2.034 57 2HD2 LEU 8 2HD2 LEU 8 3.755 -0.389 -3.629 58 3HD2 LEU 8 3HD2 LEU 8 4.640 0.076 -2.169 59 H VAL 9 H VAL 9 5.072 5.457 -3.503 60 HA VAL 9 HA VAL 9 3.624 7.096 -1.522 61 HB VAL 9 HB VAL 9 5.564 7.639 -3.635 62 1HG1 VAL 9 1HG1 VAL 9 3.689 8.459 -4.988 63 2HG1 VAL 9 2HG1 VAL 9 3.096 9.422 -3.609 64 3HG1 VAL 9 3HG1 VAL 9 4.650 9.805 -4.370 65 1HG2 VAL 9 1HG2 VAL 9 4.406 9.509 -1.519 66 2HG2 VAL 9 2HG2 VAL 9 5.661 8.304 -1.172 67 3HG2 VAL 9 3HG2 VAL 9 5.977 9.617 -2.320 68 H VAL 10 H VAL 10 1.480 7.681 -1.879 69 HA VAL 10 HA VAL 10 0.155 6.822 -4.381 70 HB VAL 10 HB VAL 10 -1.831 6.172 -2.865 71 1HG1 VAL 10 1HG1 VAL 10 -0.874 4.516 -4.285 72 2HG1 VAL 10 2HG1 VAL 10 0.616 4.421 -3.301 73 3HG1 VAL 10 3HG1 VAL 10 -0.909 3.811 -2.660 74 1HG2 VAL 10 1HG2 VAL 10 -1.350 5.260 -0.755 75 2HG2 VAL 10 2HG2 VAL 10 0.406 5.356 -1.023 76 3HG2 VAL 10 3HG2 VAL 10 -0.529 6.841 -0.750 77 H ARG 11 H ARG 11 -0.606 8.627 -5.238 78 HA ARG 11 HA ARG 11 -1.287 10.944 -3.566 79 1HB ARG 11 2HB ARG 11 -0.606 10.653 -6.260 80 2HB ARG 11 3HB ARG 11 -2.363 10.847 -6.316 81 1HG ARG 11 2HG ARG 11 -1.800 12.904 -4.653 82 2HG ARG 11 3HG ARG 11 -0.209 12.747 -5.411 83 1HD ARG 11 2HD ARG 11 -2.914 13.351 -6.656 84 2HD ARG 11 3HD ARG 11 -1.487 14.375 -6.721 85 HE ARG 11 HE ARG 11 -2.296 12.110 -8.394 86 1HH1 ARG 11 2HH2 ARG 11 0.513 13.984 -7.412 87 2HH1 ARG 11 1HH2 ARG 11 1.508 13.525 -8.766 88 1HH2 ARG 11 2HH1 ARG 11 -0.998 11.347 -10.082 89 2HH2 ARG 11 1HH1 ARG 11 0.590 11.996 -10.388 90 H GLY 12 H GLY 12 -3.495 11.746 -3.365 91 1HA GLY 12 2HA GLY 12 -5.715 11.691 -4.164 92 2HA GLY 12 1HA GLY 12 -5.700 9.942 -4.270 93 H MET 13 H MET 13 -4.334 10.043 -1.354 94 HA MET 13 HA MET 13 -6.869 9.945 0.079 95 1HB MET 13 2HB MET 13 -4.101 9.912 1.262 96 2HB MET 13 3HB MET 13 -5.610 9.433 2.037 97 1HG MET 13 2HG MET 13 -5.035 7.333 1.412 98 2HG MET 13 3HG MET 13 -5.599 7.805 -0.186 99 1HE MET 13 1HE MET 13 -2.356 8.719 1.923 100 2HE MET 13 2HE MET 13 -2.631 6.977 2.136 101 3HE MET 13 3HE MET 13 -1.215 7.558 1.241 102 H THR 14 H THR 14 -7.439 12.152 -0.675 103 HA THR 14 HA THR 14 -6.153 14.479 0.160 104 HB THR 14 HB THR 14 -7.873 14.397 -1.554 105 HG1 THR 14 1HG THR 14 -7.459 16.359 -0.342 106 1HG2 THR 14 1HG2 THR 14 -9.928 14.076 0.677 107 2HG2 THR 14 2HG2 THR 14 -10.253 14.318 -1.043 108 3HG2 THR 14 3HG2 THR 14 -9.494 12.813 -0.501 109 H CYS 15 H CYS 15 -8.315 12.400 2.056 110 HA CYS 15 HA CYS 15 -7.709 13.943 4.486 111 1HB CYS 15 2HB CYS 15 -10.601 13.346 3.676 112 2HB CYS 15 3HB CYS 15 -10.039 14.124 5.167 113 HG CYS 15 HG CYS 15 -8.678 15.997 3.626 114 H ALA 16 H ALA 16 -9.373 12.560 6.200 115 HA ALA 16 HA ALA 16 -8.183 9.963 6.414 116 1HB ALA 16 1HB ALA 16 -8.971 11.340 8.336 117 2HB ALA 16 2HB ALA 16 -10.649 11.108 7.791 118 3HB ALA 16 3HB ALA 16 -9.684 9.721 8.338 119 H SER 17 H SER 17 -10.115 8.197 7.024 120 HA SER 17 HA SER 17 -11.504 6.655 6.228 121 1HB SER 17 2HB SER 17 -12.564 8.622 4.163 122 2HB SER 17 3HB SER 17 -13.312 7.133 4.762 123 HG SER 17 HG SER 17 -14.069 9.068 5.829 124 H CYS 18 H CYS 18 -10.258 8.455 3.355 125 HA CYS 18 HA CYS 18 -9.614 6.359 1.566 126 1HB CYS 18 2HB CYS 18 -8.085 8.887 2.305 127 2HB CYS 18 3HB CYS 18 -7.700 7.815 0.939 128 HG CYS 18 HG CYS 18 -8.963 9.940 0.064 129 H VAL 19 H VAL 19 -7.710 7.461 4.374 130 HA VAL 19 HA VAL 19 -5.648 5.735 4.411 131 HB VAL 19 HB VAL 19 -7.444 6.558 6.723 132 1HG1 VAL 19 1HG1 VAL 19 -5.511 6.095 8.194 133 2HG1 VAL 19 2HG1 VAL 19 -6.094 4.609 7.443 134 3HG1 VAL 19 3HG1 VAL 19 -4.625 5.392 6.832 135 1HG2 VAL 19 1HG2 VAL 19 -5.675 8.248 7.117 136 2HG2 VAL 19 2HG2 VAL 19 -4.793 7.670 5.691 137 3HG2 VAL 19 3HG2 VAL 19 -6.373 8.454 5.509 138 H HIS 20 H HIS 20 -8.819 4.798 5.982 139 HA HIS 20 HA HIS 20 -7.841 2.085 6.174 140 1HB HIS 20 2HB HIS 20 -9.297 1.848 7.768 141 2HB HIS 20 3HB HIS 20 -9.659 3.559 7.630 142 HD1 HIS 20 1HD HIS 20 -11.502 0.573 8.029 143 HD2 HIS 20 2HD HIS 20 -11.659 3.751 5.289 144 HE1 HIS 20 1HE HIS 20 -13.857 0.600 7.060 145 H LYS 21 H LYS 21 -9.737 3.882 3.841 146 HA LYS 21 HA LYS 21 -10.991 1.816 2.407 147 1HB LYS 21 2HB LYS 21 -10.741 4.467 2.055 148 2HB LYS 21 3HB LYS 21 -9.543 3.970 0.872 149 1HG LYS 21 2HG LYS 21 -12.474 3.129 0.940 150 2HG LYS 21 3HG LYS 21 -11.764 4.400 -0.063 151 1HD LYS 21 2HD LYS 21 -10.233 2.564 -1.069 152 2HD LYS 21 3HD LYS 21 -11.237 1.402 -0.204 153 1HE LYS 21 2HE LYS 21 -12.080 1.470 -2.426 154 2HE LYS 21 3HE LYS 21 -13.264 2.289 -1.402 155 1HZ LYS 21 1HZ LYS 21 -11.291 3.558 -3.219 156 2HZ LYS 21 2HZ LYS 21 -12.900 3.496 -3.413 157 3HZ LYS 21 3HZ LYS 21 -12.271 4.404 -2.198 158 H ILE 22 H ILE 22 -7.610 2.914 2.488 159 HA ILE 22 HA ILE 22 -6.777 0.791 0.622 160 HB ILE 22 HB ILE 22 -5.000 2.643 2.262 161 1HG1 ILE 22 2HG1 ILE 22 -6.016 2.985 -0.579 162 2HG1 ILE 22 3HG1 ILE 22 -6.517 3.955 0.816 163 1HG2 ILE 22 1HG2 ILE 22 -4.703 0.961 -0.237 164 2HG2 ILE 22 2HG2 ILE 22 -3.428 2.020 0.386 165 3HG2 ILE 22 3HG2 ILE 22 -3.946 0.620 1.344 166 1HD1 ILE 22 1HD1 ILE 22 -5.004 5.281 -0.324 167 2HD1 ILE 22 2HD1 ILE 22 -4.176 4.714 1.134 168 3HD1 ILE 22 3HD1 ILE 22 -3.791 4.005 -0.460 169 H GLU 23 H GLU 23 -5.880 1.722 3.949 170 HA GLU 23 HA GLU 23 -4.407 -0.448 4.623 171 1HB GLU 23 2HB GLU 23 -5.329 1.826 5.883 172 2HB GLU 23 3HB GLU 23 -6.085 0.582 6.875 173 1HG GLU 23 2HG GLU 23 -3.908 -0.320 7.439 174 2HG GLU 23 3HG GLU 23 -3.127 0.699 6.207 175 H SER 24 H SER 24 -7.898 -0.143 5.273 176 HA SER 24 HA SER 24 -8.182 -2.648 6.623 177 1HB SER 24 2HB SER 24 -9.729 -0.612 6.689 178 2HB SER 24 3HB SER 24 -10.411 -1.200 5.159 179 HG SER 24 HG SER 24 -10.696 -3.252 6.383 180 H SER 25 H SER 25 -8.391 -1.593 3.241 181 HA SER 25 HA SER 25 -9.523 -4.087 2.244 182 1HB SER 25 2HB SER 25 -9.874 -1.840 1.189 183 2HB SER 25 3HB SER 25 -8.177 -1.849 0.685 184 HG SER 25 HG SER 25 -8.683 -3.915 -0.354 185 H LEU 26 H LEU 26 -6.308 -2.741 2.820 186 HA LEU 26 HA LEU 26 -4.896 -4.779 1.320 187 1HB LEU 26 2HB LEU 26 -4.175 -2.490 3.083 188 2HB LEU 26 3HB LEU 26 -3.068 -3.856 3.130 189 HG LEU 26 HG LEU 26 -2.468 -2.115 1.511 190 1HD1 LEU 26 1HD1 LEU 26 -1.617 -4.403 1.304 191 2HD1 LEU 26 2HD1 LEU 26 -2.972 -4.841 0.242 192 3HD1 LEU 26 3HD1 LEU 26 -1.807 -3.615 -0.269 193 1HD2 LEU 26 1HD2 LEU 26 -3.601 -1.889 -0.627 194 2HD2 LEU 26 2HD2 LEU 26 -4.818 -3.092 -0.182 195 3HD2 LEU 26 3HD2 LEU 26 -4.751 -1.541 0.672 196 H THR 27 H THR 27 -5.756 -4.322 4.791 197 HA THR 27 HA THR 27 -4.477 -6.701 5.692 198 HB THR 27 HB THR 27 -6.104 -6.391 7.649 199 HG1 THR 27 1HG THR 27 -7.609 -5.186 6.172 200 1HG2 THR 27 1HG2 THR 27 -4.407 -4.006 6.771 201 2HG2 THR 27 2HG2 THR 27 -4.986 -4.325 8.415 202 3HG2 THR 27 3HG2 THR 27 -3.822 -5.431 7.658 203 H LYS 28 H LYS 28 -5.034 -8.129 4.060 204 HA LYS 28 HA LYS 28 -6.816 -10.192 4.459 205 1HB LYS 28 2HB LYS 28 -8.523 -9.897 2.715 206 2HB LYS 28 3HB LYS 28 -8.758 -8.815 4.072 207 1HG LYS 28 2HG LYS 28 -8.707 -7.008 2.691 208 2HG LYS 28 3HG LYS 28 -7.084 -7.431 2.216 209 1HD LYS 28 2HD LYS 28 -8.108 -7.396 0.170 210 2HD LYS 28 3HD LYS 28 -8.143 -9.115 0.529 211 1HE LYS 28 2HE LYS 28 -10.387 -7.045 0.823 212 2HE LYS 28 3HE LYS 28 -10.307 -8.347 -0.372 213 1HZ LYS 28 1HZ LYS 28 -10.508 -9.925 1.429 214 2HZ LYS 28 2HZ LYS 28 -10.555 -8.711 2.540 215 3HZ LYS 28 3HZ LYS 28 -11.780 -8.877 1.450 216 H HIS 29 H HIS 29 -4.891 -8.245 2.133 217 HA HIS 29 HA HIS 29 -4.681 -10.288 0.120 218 1HB HIS 29 2HB HIS 29 -2.955 -7.906 0.899 219 2HB HIS 29 3HB HIS 29 -2.538 -9.002 -0.419 220 HD1 HIS 29 1HD HIS 29 -3.435 -8.223 -2.718 221 HD2 HIS 29 2HD HIS 29 -5.516 -6.790 0.635 222 HE1 HIS 29 1HE HIS 29 -5.360 -6.860 -3.615 223 H ARG 30 H ARG 30 -4.556 -12.104 1.664 224 HA ARG 30 HA ARG 30 -2.659 -12.875 3.419 225 1HB ARG 30 2HB ARG 30 -4.585 -14.201 2.628 226 2HB ARG 30 3HB ARG 30 -3.728 -14.561 1.120 227 1HG ARG 30 2HG ARG 30 -1.972 -15.761 2.410 228 2HG ARG 30 3HG ARG 30 -2.822 -15.365 3.923 229 1HD ARG 30 2HD ARG 30 -4.820 -16.592 3.108 230 2HD ARG 30 3HD ARG 30 -3.957 -16.976 1.595 231 HE ARG 30 HE ARG 30 -2.367 -17.861 3.761 232 1HH1 ARG 30 2HH2 ARG 30 -5.437 -18.624 2.219 233 2HH1 ARG 30 1HH2 ARG 30 -5.447 -20.302 2.662 234 1HH2 ARG 30 2HH1 ARG 30 -2.327 -20.099 4.380 235 2HH2 ARG 30 1HH1 ARG 30 -3.620 -21.157 3.925 236 H GLY 31 H GLY 31 -0.561 -12.129 3.213 237 1HA GLY 31 2HA GLY 31 1.556 -13.197 1.872 238 2HA GLY 31 1HA GLY 31 0.787 -12.181 0.636 239 H ILE 32 H ILE 32 -0.269 -10.146 2.259 240 HA ILE 32 HA ILE 32 2.043 -8.822 3.463 241 HB ILE 32 HB ILE 32 0.953 -6.940 3.634 242 1HG1 ILE 32 2HG1 ILE 32 -0.711 -7.396 5.246 243 2HG1 ILE 32 3HG1 ILE 32 -1.323 -6.391 3.973 244 1HG2 ILE 32 1HG2 ILE 32 -0.500 -6.435 1.752 245 2HG2 ILE 32 2HG2 ILE 32 0.826 -7.502 1.249 246 3HG2 ILE 32 3HG2 ILE 32 -0.792 -8.156 1.472 247 1HD1 ILE 32 1HD1 ILE 32 -1.831 -9.408 4.122 248 2HD1 ILE 32 2HD1 ILE 32 -2.915 -8.169 4.759 249 3HD1 ILE 32 3HD1 ILE 32 -2.576 -8.244 3.025 250 H LEU 33 H LEU 33 2.191 -8.385 5.675 251 HA LEU 33 HA LEU 33 0.450 -10.052 7.467 252 1HB LEU 33 2HB LEU 33 2.195 -9.904 9.134 253 2HB LEU 33 3HB LEU 33 2.708 -10.805 7.714 254 HG LEU 33 HG LEU 33 3.386 -7.890 7.680 255 1HD1 LEU 33 1HD1 LEU 33 5.281 -8.134 9.200 256 2HD1 LEU 33 2HD1 LEU 33 3.758 -8.405 10.055 257 3HD1 LEU 33 3HD1 LEU 33 4.779 -9.790 9.598 258 1HD2 LEU 33 1HD2 LEU 33 4.126 -9.573 5.933 259 2HD2 LEU 33 2HD2 LEU 33 5.454 -8.701 6.712 260 3HD2 LEU 33 3HD2 LEU 33 5.091 -10.369 7.189 261 H TYR 34 H TYR 34 1.474 -6.774 6.568 262 HA TYR 34 HA TYR 34 -0.430 -5.641 8.465 263 1HB TYR 34 2HB TYR 34 1.623 -6.071 9.833 264 2HB TYR 34 3HB TYR 34 2.573 -5.178 8.670 265 HD1 TYR 34 HD1 TYR 34 0.121 -4.889 11.416 266 HD2 TYR 34 HD2 TYR 34 2.444 -2.741 8.491 267 HE1 TYR 34 HE1 TYR 34 -0.277 -2.764 12.643 268 HE2 TYR 34 HE2 TYR 34 2.157 -0.661 9.791 269 HH TYR 34 HH TYR 34 0.649 0.342 11.292 270 H CYS 35 H CYS 35 -0.734 -3.341 8.046 271 HA CYS 35 HA CYS 35 0.589 -2.171 5.689 272 1HB CYS 35 2HB CYS 35 -1.633 -3.096 4.866 273 2HB CYS 35 3HB CYS 35 -2.442 -2.157 6.134 274 HG CYS 35 HG CYS 35 -0.514 -1.207 3.656 275 H SER 36 H SER 36 0.755 0.110 5.926 276 HA SER 36 HA SER 36 -1.223 1.342 7.536 277 1HB SER 36 2HB SER 36 1.628 1.995 8.340 278 2HB SER 36 3HB SER 36 0.168 2.884 8.817 279 HG SER 36 HG SER 36 -0.325 0.370 9.342 280 H VAL 37 H VAL 37 -1.927 3.110 6.376 281 HA VAL 37 HA VAL 37 0.012 4.320 4.455 282 HB VAL 37 HB VAL 37 -1.825 4.775 3.006 283 1HG1 VAL 37 1HG1 VAL 37 -2.580 2.658 2.357 284 2HG1 VAL 37 2HG1 VAL 37 -1.070 2.250 3.192 285 3HG1 VAL 37 3HG1 VAL 37 -2.620 2.017 4.001 286 1HG2 VAL 37 1HG2 VAL 37 -3.503 5.392 4.741 287 2HG2 VAL 37 2HG2 VAL 37 -4.143 4.251 3.547 288 3HG2 VAL 37 3HG2 VAL 37 -3.689 3.663 5.153 289 H ALA 38 H ALA 38 -0.347 6.658 4.049 290 HA ALA 38 HA ALA 38 -1.773 8.119 6.134 291 1HB ALA 38 1HB ALA 38 1.255 8.148 6.031 292 2HB ALA 38 2HB ALA 38 0.267 9.395 6.832 293 3HB ALA 38 3HB ALA 38 0.228 7.711 7.414 294 H LEU 39 H LEU 39 -2.355 10.032 5.505 295 HA LEU 39 HA LEU 39 -1.983 10.890 2.774 296 1HB LEU 39 2HB LEU 39 -3.520 12.674 3.350 297 2HB LEU 39 3HB LEU 39 -4.104 11.092 3.852 298 HG LEU 39 HG LEU 39 -2.899 11.951 6.196 299 1HD1 LEU 39 1HD1 LEU 39 -3.546 14.279 6.564 300 2HD1 LEU 39 2HD1 LEU 39 -2.440 14.225 5.183 301 3HD1 LEU 39 3HD1 LEU 39 -4.180 14.408 4.912 302 1HD2 LEU 39 1HD2 LEU 39 -5.737 12.499 5.271 303 2HD2 LEU 39 2HD2 LEU 39 -5.148 10.978 5.973 304 3HD2 LEU 39 3HD2 LEU 39 -5.183 12.451 6.957 305 H ALA 40 H ALA 40 -0.693 11.978 5.941 306 HA ALA 40 HA ALA 40 0.164 14.534 5.078 307 1HB ALA 40 1HB ALA 40 -0.136 13.891 7.444 308 2HB ALA 40 2HB ALA 40 1.234 12.761 7.317 309 3HB ALA 40 3HB ALA 40 1.502 14.509 7.147 310 H THR 41 H THR 41 1.560 11.364 4.718 311 HA THR 41 HA THR 41 4.035 12.488 3.478 312 HB THR 41 HB THR 41 4.540 11.394 5.513 313 HG1 THR 41 1HG THR 41 5.162 10.155 3.114 314 1HG2 THR 41 1HG2 THR 41 2.670 9.217 4.632 315 2HG2 THR 41 2HG2 THR 41 3.979 8.907 5.802 316 3HG2 THR 41 3HG2 THR 41 2.743 10.115 6.156 317 H ASN 42 H ASN 42 1.056 11.428 2.660 318 HA ASN 42 HA ASN 42 0.118 10.531 0.820 319 1HB ASN 42 2HB ASN 42 2.693 11.602 -0.431 320 2HB ASN 42 3HB ASN 42 1.218 11.197 -1.316 321 1HD2 ASN 42 1HD2 ASN 42 -0.849 12.336 -0.543 322 2HD2 ASN 42 2HD2 ASN 42 -0.624 14.028 -0.122 323 H LYS 43 H LYS 43 1.179 8.431 2.234 324 HA LYS 43 HA LYS 43 2.150 6.696 0.034 325 1HB LYS 43 2HB LYS 43 3.995 5.769 1.386 326 2HB LYS 43 3HB LYS 43 4.252 7.466 0.964 327 1HG LYS 43 2HG LYS 43 3.835 8.219 3.106 328 2HG LYS 43 3HG LYS 43 2.921 6.790 3.607 329 1HD LYS 43 2HD LYS 43 5.058 6.855 4.731 330 2HD LYS 43 3HD LYS 43 4.970 5.441 3.671 331 1HE LYS 43 2HE LYS 43 6.383 6.475 2.021 332 2HE LYS 43 3HE LYS 43 6.308 8.064 2.787 333 1HZ LYS 43 1HZ LYS 43 8.250 6.264 3.180 334 2HZ LYS 43 2HZ LYS 43 7.841 7.377 4.375 335 3HZ LYS 43 3HZ LYS 43 7.302 5.799 4.327 336 H ALA 44 H ALA 44 2.271 4.509 0.425 337 HA ALA 44 HA ALA 44 0.657 3.436 2.661 338 1HB ALA 44 1HB ALA 44 -0.668 3.209 0.595 339 2HB ALA 44 2HB ALA 44 0.729 2.508 -0.247 340 3HB ALA 44 3HB ALA 44 -0.040 1.623 1.085 341 H HIS 45 H HIS 45 2.010 2.285 3.961 342 HA HIS 45 HA HIS 45 4.239 0.829 2.627 343 1HB HIS 45 2HB HIS 45 5.461 0.702 4.449 344 2HB HIS 45 3HB HIS 45 4.793 2.316 4.655 345 HD1 HIS 45 1HD HIS 45 4.447 2.605 7.162 346 HD2 HIS 45 2HD HIS 45 3.913 -1.351 5.847 347 HE1 HIS 45 1HE HIS 45 4.268 1.156 9.247 348 H ILE 46 H ILE 46 4.092 -1.303 2.504 349 HA ILE 46 HA ILE 46 1.979 -2.735 4.022 350 HB ILE 46 HB ILE 46 2.986 -3.358 1.210 351 1HG1 ILE 46 2HG1 ILE 46 0.545 -3.181 0.604 352 2HG1 ILE 46 3HG1 ILE 46 0.249 -2.354 2.131 353 1HG2 ILE 46 1HG2 ILE 46 2.454 -5.318 2.729 354 2HG2 ILE 46 2HG2 ILE 46 0.814 -4.675 2.887 355 3HG2 ILE 46 3HG2 ILE 46 1.432 -5.201 1.301 356 1HD1 ILE 46 1HD1 ILE 46 0.525 -0.948 -0.011 357 2HD1 ILE 46 2HD1 ILE 46 1.484 -0.418 1.362 358 3HD1 ILE 46 3HD1 ILE 46 2.253 -1.353 0.060 359 H LYS 47 H LYS 47 2.896 -4.402 5.177 360 HA LYS 47 HA LYS 47 5.800 -5.039 4.792 361 1HB LYS 47 2HB LYS 47 3.972 -5.750 7.100 362 2HB LYS 47 3HB LYS 47 5.684 -6.149 6.914 363 1HG LYS 47 2HG LYS 47 6.131 -3.630 6.823 364 2HG LYS 47 3HG LYS 47 4.439 -3.401 7.312 365 1HD LYS 47 2HD LYS 47 4.891 -4.856 9.337 366 2HD LYS 47 3HD LYS 47 6.546 -5.069 8.781 367 1HE LYS 47 2HE LYS 47 6.554 -3.407 10.526 368 2HE LYS 47 3HE LYS 47 6.972 -2.620 8.999 369 1HZ LYS 47 1HZ LYS 47 4.285 -2.575 10.231 370 2HZ LYS 47 2HZ LYS 47 5.395 -1.376 10.355 371 3HZ LYS 47 3HZ LYS 47 4.738 -1.716 8.897 372 H TYR 48 H TYR 48 5.922 -6.697 3.300 373 HA TYR 48 HA TYR 48 4.144 -8.979 3.573 374 1HB TYR 48 2HB TYR 48 3.365 -8.879 1.253 375 2HB TYR 48 3HB TYR 48 2.920 -7.379 2.045 376 HD1 TYR 48 HD1 TYR 48 4.524 -8.797 -0.819 377 HD2 TYR 48 HD2 TYR 48 4.492 -5.318 1.714 378 HE1 TYR 48 HE1 TYR 48 5.307 -7.390 -2.709 379 HE2 TYR 48 HE2 TYR 48 5.143 -3.907 -0.184 380 HH TYR 48 HH TYR 48 5.611 -3.851 -2.430 381 H ASP 49 H ASP 49 4.789 -10.755 2.177 382 HA ASP 49 HA ASP 49 7.723 -10.733 1.722 383 1HB ASP 49 2HB ASP 49 6.934 -12.616 2.880 384 2HB ASP 49 3HB ASP 49 5.705 -12.952 1.656 385 HA PRO 50 HA PRO 50 6.385 -9.488 -2.392 386 1HB PRO 50 2HB PRO 50 8.797 -8.938 -3.557 387 2HB PRO 50 3HB PRO 50 8.060 -7.886 -2.312 388 1HG PRO 50 2HG PRO 50 10.131 -10.062 -1.888 389 2HG PRO 50 3HG PRO 50 10.195 -8.370 -1.309 390 1HD PRO 50 2HD PRO 50 9.334 -10.379 0.280 391 2HD PRO 50 3HD PRO 50 8.507 -8.790 0.322 392 H GLU 51 H GLU 51 8.358 -12.334 -1.616 393 HA GLU 51 HA GLU 51 8.660 -13.137 -4.399 394 1HB GLU 51 2HB GLU 51 8.830 -14.762 -1.831 395 2HB GLU 51 3HB GLU 51 9.252 -15.327 -3.452 396 1HG GLU 51 2HG GLU 51 10.895 -13.405 -3.638 397 2HG GLU 51 3HG GLU 51 10.638 -13.088 -1.917 398 H ILE 52 H ILE 52 6.243 -13.687 -1.874 399 HA ILE 52 HA ILE 52 4.890 -15.725 -3.482 400 HB ILE 52 HB ILE 52 3.312 -15.868 -1.602 401 1HG1 ILE 52 2HG1 ILE 52 5.110 -13.798 -0.295 402 2HG1 ILE 52 3HG1 ILE 52 3.385 -13.630 -0.634 403 1HG2 ILE 52 1HG2 ILE 52 4.886 -17.078 -0.202 404 2HG2 ILE 52 2HG2 ILE 52 5.436 -17.218 -1.866 405 3HG2 ILE 52 3HG2 ILE 52 6.241 -16.077 -0.770 406 1HD1 ILE 52 1HD1 ILE 52 4.647 -15.514 1.387 407 2HD1 ILE 52 2HD1 ILE 52 3.640 -14.104 1.697 408 3HD1 ILE 52 3HD1 ILE 52 2.923 -15.533 0.926 409 H ILE 53 H ILE 53 3.903 -12.548 -2.260 410 HA ILE 53 HA ILE 53 1.538 -12.684 -4.064 411 HB ILE 53 HB ILE 53 1.106 -12.336 -1.746 412 1HG1 ILE 53 2HG1 ILE 53 0.394 -9.704 -3.054 413 2HG1 ILE 53 3HG1 ILE 53 -0.158 -11.219 -3.769 414 1HG2 ILE 53 1HG2 ILE 53 3.095 -11.040 -1.012 415 2HG2 ILE 53 2HG2 ILE 53 2.499 -9.624 -1.912 416 3HG2 ILE 53 3HG2 ILE 53 1.588 -10.254 -0.547 417 1HD1 ILE 53 1HD1 ILE 53 -1.860 -10.377 -2.238 418 2HD1 ILE 53 2HD1 ILE 53 -1.196 -11.890 -1.608 419 3HD1 ILE 53 3HD1 ILE 53 -0.690 -10.339 -0.901 420 H GLY 54 H GLY 54 4.067 -10.379 -3.164 421 1HA GLY 54 2HA GLY 54 5.440 -9.187 -4.555 422 2HA GLY 54 1HA GLY 54 4.531 -9.729 -5.971 423 HA PRO 55 HA PRO 55 3.768 -5.211 -4.606 424 1HB PRO 55 2HB PRO 55 5.059 -3.908 -6.688 425 2HB PRO 55 3HB PRO 55 5.838 -4.382 -5.160 426 1HG PRO 55 2HG PRO 55 5.868 -5.885 -7.782 427 2HG PRO 55 3HG PRO 55 7.248 -5.513 -6.708 428 1HD PRO 55 2HD PRO 55 6.044 -7.938 -6.614 429 2HD PRO 55 3HD PRO 55 6.531 -7.134 -5.097 430 H ARG 56 H ARG 56 3.617 -6.728 -7.843 431 HA ARG 56 HA ARG 56 2.012 -4.860 -9.146 432 1HB ARG 56 2HB ARG 56 2.121 -7.889 -9.453 433 2HB ARG 56 3HB ARG 56 1.197 -6.822 -10.522 434 1HG ARG 56 2HG ARG 56 3.221 -5.546 -11.076 435 2HG ARG 56 3HG ARG 56 4.202 -6.610 -10.053 436 1HD ARG 56 2HD ARG 56 3.657 -8.548 -11.420 437 2HD ARG 56 3HD ARG 56 2.537 -7.631 -12.415 438 HE ARG 56 HE ARG 56 5.433 -7.753 -12.602 439 1HH1 ARG 56 2HH2 ARG 56 2.667 -5.678 -13.262 440 2HH1 ARG 56 1HH2 ARG 56 3.407 -4.803 -14.566 441 1HH2 ARG 56 2HH1 ARG 56 6.481 -6.603 -14.318 442 2HH2 ARG 56 1HH1 ARG 56 5.646 -5.342 -15.165 443 H ASP 57 H ASP 57 0.890 -7.638 -7.185 444 HA ASP 57 HA ASP 57 -1.890 -7.403 -7.479 445 1HB ASP 57 2HB ASP 57 -0.948 -9.268 -6.281 446 2HB ASP 57 3HB ASP 57 -0.097 -8.213 -5.147 447 H ILE 58 H ILE 58 0.121 -6.024 -4.908 448 HA ILE 58 HA ILE 58 -1.829 -4.432 -3.655 449 HB ILE 58 HB ILE 58 1.203 -4.295 -3.811 450 1HG1 ILE 58 2HG1 ILE 58 -0.567 -5.171 -1.493 451 2HG1 ILE 58 3HG1 ILE 58 -0.114 -6.298 -2.766 452 1HG2 ILE 58 1HG2 ILE 58 -0.647 -2.693 -2.009 453 2HG2 ILE 58 2HG2 ILE 58 1.108 -2.857 -1.775 454 3HG2 ILE 58 3HG2 ILE 58 0.491 -2.057 -3.215 455 1HD1 ILE 58 1HD1 ILE 58 2.259 -5.954 -2.337 456 2HD1 ILE 58 2HD1 ILE 58 1.872 -4.837 -1.006 457 3HD1 ILE 58 3HD1 ILE 58 1.380 -6.541 -0.912 458 H ILE 59 H ILE 59 0.601 -3.415 -6.077 459 HA ILE 59 HA ILE 59 -0.204 -0.712 -6.236 460 HB ILE 59 HB ILE 59 1.172 -2.629 -8.141 461 1HG1 ILE 59 2HG1 ILE 59 2.194 -0.203 -6.604 462 2HG1 ILE 59 3HG1 ILE 59 2.297 -1.867 -6.027 463 1HG2 ILE 59 1HG2 ILE 59 1.783 -0.778 -9.617 464 2HG2 ILE 59 2HG2 ILE 59 0.041 -0.967 -9.595 465 3HG2 ILE 59 3HG2 ILE 59 0.799 0.338 -8.656 466 1HD1 ILE 59 1HD1 ILE 59 3.696 -0.711 -8.463 467 2HD1 ILE 59 2HD1 ILE 59 4.413 -1.323 -6.969 468 3HD1 ILE 59 3HD1 ILE 59 3.623 -2.450 -8.090 469 H HIS 60 H HIS 60 -1.186 -3.429 -8.380 470 HA HIS 60 HA HIS 60 -2.969 -1.846 -9.917 471 1HB HIS 60 2HB HIS 60 -1.905 -4.019 -10.547 472 2HB HIS 60 3HB HIS 60 -2.996 -4.847 -9.427 473 HD1 HIS 60 1HD HIS 60 -4.310 -2.051 -11.786 474 HD2 HIS 60 2HD HIS 60 -3.938 -6.243 -11.515 475 HE1 HIS 60 1HE HIS 60 -5.755 -3.029 -13.625 476 H THR 61 H THR 61 -3.406 -3.713 -6.903 477 HA THR 61 HA THR 61 -6.267 -3.450 -6.821 478 HB THR 61 HB THR 61 -4.265 -3.777 -4.549 479 HG1 THR 61 1HG THR 61 -4.300 -5.518 -5.932 480 1HG2 THR 61 1HG2 THR 61 -6.259 -4.562 -3.280 481 2HG2 THR 61 2HG2 THR 61 -6.392 -2.854 -3.688 482 3HG2 THR 61 3HG2 THR 61 -7.307 -4.064 -4.620 483 H ILE 62 H ILE 62 -3.620 -1.386 -5.408 484 HA ILE 62 HA ILE 62 -5.486 0.438 -4.265 485 HB ILE 62 HB ILE 62 -2.555 0.711 -4.943 486 1HG1 ILE 62 2HG1 ILE 62 -3.961 0.379 -2.247 487 2HG1 ILE 62 3HG1 ILE 62 -3.466 -1.025 -3.190 488 1HG2 ILE 62 1HG2 ILE 62 -3.513 2.961 -4.815 489 2HG2 ILE 62 2HG2 ILE 62 -4.407 2.527 -3.336 490 3HG2 ILE 62 3HG2 ILE 62 -2.646 2.658 -3.323 491 1HD1 ILE 62 1HD1 ILE 62 -1.176 -0.188 -3.292 492 2HD1 ILE 62 2HD1 ILE 62 -1.610 1.145 -2.190 493 3HD1 ILE 62 3HD1 ILE 62 -1.720 -0.535 -1.628 494 H GLU 63 H GLU 63 -3.841 0.417 -7.434 495 HA GLU 63 HA GLU 63 -4.710 2.824 -8.554 496 1HB GLU 63 2HB GLU 63 -3.205 1.041 -9.512 497 2HB GLU 63 3HB GLU 63 -4.616 0.018 -9.736 498 1HG GLU 63 2HG GLU 63 -5.601 1.673 -11.237 499 2HG GLU 63 3HG GLU 63 -4.138 2.675 -11.097 500 H SER 64 H SER 64 -6.351 -0.338 -8.286 501 HA SER 64 HA SER 64 -8.835 0.534 -9.411 502 1HB SER 64 2HB SER 64 -8.070 -1.793 -9.332 503 2HB SER 64 3HB SER 64 -8.411 -1.851 -7.590 504 HG SER 64 HG SER 64 -10.290 -1.267 -9.641 505 H LEU 65 H LEU 65 -7.808 0.233 -5.979 506 HA LEU 65 HA LEU 65 -10.291 1.027 -4.790 507 1HB LEU 65 2HB LEU 65 -7.453 1.377 -3.771 508 2HB LEU 65 3HB LEU 65 -8.903 1.618 -2.807 509 HG LEU 65 HG LEU 65 -8.137 -1.049 -4.070 510 1HD1 LEU 65 1HD1 LEU 65 -7.935 -0.086 -1.194 511 2HD1 LEU 65 2HD1 LEU 65 -7.545 -1.716 -1.780 512 3HD1 LEU 65 3HD1 LEU 65 -6.557 -0.335 -2.285 513 1HD2 LEU 65 1HD2 LEU 65 -10.310 -0.332 -2.058 514 2HD2 LEU 65 2HD2 LEU 65 -10.569 -0.893 -3.729 515 3HD2 LEU 65 3HD2 LEU 65 -9.846 -1.973 -2.541 516 H GLY 66 H GLY 66 -7.602 2.911 -6.098 517 1HA GLY 66 2HA GLY 66 -8.383 4.700 -7.513 518 2HA GLY 66 1HA GLY 66 -9.560 5.188 -6.292 519 H PHE 67 H PHE 67 -6.054 4.378 -6.109 520 HA PHE 67 HA PHE 67 -5.407 7.191 -5.460 521 1HB PHE 67 2HB PHE 67 -4.383 4.831 -3.837 522 2HB PHE 67 3HB PHE 67 -4.044 6.529 -3.565 523 HD1 PHE 67 1HD PHE 67 -6.365 3.797 -2.902 524 HD2 PHE 67 2HD PHE 67 -6.044 8.066 -3.087 525 HE1 PHE 67 1HE PHE 67 -8.349 4.002 -1.434 526 HE2 PHE 67 2HE PHE 67 -8.146 8.289 -1.788 527 HZ PHE 67 HZ PHE 67 -9.239 6.265 -0.860 528 H GLU 68 H GLU 68 -3.050 7.535 -5.806 529 HA GLU 68 HA GLU 68 -2.385 6.015 -8.256 530 1HB GLU 68 2HB GLU 68 -1.500 8.750 -7.331 531 2HB GLU 68 3HB GLU 68 -1.165 8.017 -8.900 532 1HG GLU 68 2HG GLU 68 -3.572 7.995 -9.433 533 2HG GLU 68 3HG GLU 68 -3.953 8.684 -7.841 534 HA PRO 69 HA PRO 69 1.046 4.623 -5.545 535 1HB PRO 69 2HB PRO 69 1.519 2.163 -6.656 536 2HB PRO 69 3HB PRO 69 0.251 2.493 -5.439 537 1HG PRO 69 2HG PRO 69 -0.083 2.410 -8.449 538 2HG PRO 69 3HG PRO 69 -1.062 1.570 -7.199 539 1HD PRO 69 2HD PRO 69 -1.885 3.891 -8.270 540 2HD PRO 69 3HD PRO 69 -2.029 3.604 -6.506 541 H SER 70 H SER 70 3.093 5.150 -5.828 542 HA SER 70 HA SER 70 4.532 4.282 -8.203 543 1HB SER 70 2HB SER 70 3.969 6.668 -8.713 544 2HB SER 70 3HB SER 70 4.752 7.156 -7.192 545 HG SER 70 HG SER 70 6.166 7.259 -9.045 546 H LEU 71 H LEU 71 6.967 4.755 -7.574 547 HA LEU 71 HA LEU 71 7.339 3.250 -5.084 548 1HB LEU 71 2HB LEU 71 9.712 3.183 -5.703 549 2HB LEU 71 3HB LEU 71 8.626 2.654 -6.977 550 HG LEU 71 HG LEU 71 8.901 4.962 -8.059 551 1HD1 LEU 71 1HD1 LEU 71 9.865 6.283 -6.226 552 2HD1 LEU 71 2HD1 LEU 71 11.200 5.116 -6.059 553 3HD1 LEU 71 3HD1 LEU 71 11.052 6.121 -7.512 554 1HD2 LEU 71 1HD2 LEU 71 11.045 4.313 -9.072 555 2HD2 LEU 71 2HD2 LEU 71 11.335 3.163 -7.749 556 3HD2 LEU 71 3HD2 LEU 71 9.985 2.909 -8.878 557 H VAL 72 H VAL 72 9.314 3.983 -3.675 558 HA VAL 72 HA VAL 72 9.150 6.896 -3.057 559 HB VAL 72 HB VAL 72 9.335 4.609 -1.033 560 1HG1 VAL 72 1HG1 VAL 72 10.685 6.598 -0.354 561 2HG1 VAL 72 2HG1 VAL 72 9.279 7.642 -0.653 562 3HG1 VAL 72 3HG1 VAL 72 9.237 6.427 0.641 563 1HG2 VAL 72 1HG2 VAL 72 7.166 5.557 -0.230 564 2HG2 VAL 72 2HG2 VAL 72 7.135 6.604 -1.664 565 3HG2 VAL 72 3HG2 VAL 72 7.065 4.842 -1.843 566 H LYS 73 H LYS 73 11.225 4.352 -1.623 567 HA LYS 73 HA LYS 73 13.276 4.553 -3.577 568 1HB LYS 73 2HB LYS 73 13.716 5.692 -0.777 569 2HB LYS 73 3HB LYS 73 15.026 5.188 -1.867 570 1HG LYS 73 2HG LYS 73 13.985 6.851 -3.552 571 2HG LYS 73 3HG LYS 73 13.151 7.556 -2.160 572 1HD LYS 73 2HD LYS 73 16.176 7.170 -2.432 573 2HD LYS 73 3HD LYS 73 15.291 8.635 -2.849 574 1HE LYS 73 2HE LYS 73 16.255 9.047 -0.742 575 2HE LYS 73 3HE LYS 73 14.522 8.845 -0.452 576 1HZ LYS 73 1HZ LYS 73 16.103 7.681 1.129 577 2HZ LYS 73 2HZ LYS 73 14.989 6.677 0.523 578 3HZ LYS 73 3HZ LYS 73 16.439 6.592 -0.048 579 H ILE 74 H ILE 74 14.802 2.812 -3.192 580 HA ILE 74 HA ILE 74 13.901 0.730 -1.278 581 HB ILE 74 HB ILE 74 16.200 0.719 -3.270 582 1HG1 ILE 74 2HG1 ILE 74 13.388 -0.469 -3.438 583 2HG1 ILE 74 3HG1 ILE 74 14.017 0.865 -4.414 584 1HG2 ILE 74 1HG2 ILE 74 14.893 -1.567 -1.715 585 2HG2 ILE 74 2HG2 ILE 74 16.299 -1.683 -2.796 586 3HG2 ILE 74 3HG2 ILE 74 16.438 -0.826 -1.270 587 1HD1 ILE 74 1HD1 ILE 74 15.753 -0.685 -5.354 588 2HD1 ILE 74 2HD1 ILE 74 14.918 -2.031 -4.537 589 3HD1 ILE 74 3HD1 ILE 74 14.075 -1.086 -5.770 590 H GLU 75 H GLU 75 14.157 2.287 0.394 591 HA GLU 75 HA GLU 75 15.213 2.932 2.323 592 1HB GLU 75 2HB GLU 75 17.245 1.440 1.851 593 2HB GLU 75 3HB GLU 75 17.952 2.834 1.013 594 1HG GLU 75 2HG GLU 75 17.720 4.180 3.087 595 2HG GLU 75 3HG GLU 75 17.039 2.769 3.921 Start of MODEL 3 1 1H MET 1 H1 MET 1 9.843 -14.948 1.179 2 2H MET 1 H2 MET 1 9.558 -16.569 0.882 3 3H MET 1 H3 MET 1 8.383 -15.580 1.489 4 HA MET 1 HA MET 1 8.952 -16.567 3.398 5 1HB MET 1 2HB MET 1 11.872 -16.243 2.563 6 2HB MET 1 3HB MET 1 11.303 -16.842 4.129 7 1HG MET 1 2HG MET 1 10.089 -18.694 2.899 8 2HG MET 1 3HG MET 1 10.934 -18.176 1.431 9 1HE MET 1 1HE MET 1 10.998 -21.127 2.442 10 2HE MET 1 2HE MET 1 11.854 -20.539 0.996 11 3HE MET 1 3HE MET 1 12.722 -21.504 2.214 12 H GLY 2 H GLY 2 9.405 -15.381 5.400 13 1HA GLY 2 2HA GLY 2 9.921 -13.608 6.742 14 2HA GLY 2 1HA GLY 2 11.040 -13.063 5.483 15 H ASP 3 H ASP 3 10.540 -10.867 5.755 16 HA ASP 3 HA ASP 3 7.952 -9.970 4.651 17 1HB ASP 3 2HB ASP 3 7.887 -9.519 7.062 18 2HB ASP 3 3HB ASP 3 9.468 -8.724 6.975 19 H GLY 4 H GLY 4 8.243 -8.324 3.201 20 1HA GLY 4 2HA GLY 4 11.011 -7.834 2.169 21 2HA GLY 4 1HA GLY 4 9.493 -7.638 1.287 22 H VAL 5 H VAL 5 8.352 -6.259 3.881 23 HA VAL 5 HA VAL 5 7.684 -4.101 4.077 24 HB VAL 5 HB VAL 5 10.652 -3.548 4.397 25 1HG1 VAL 5 1HG1 VAL 5 9.838 -1.835 6.009 26 2HG1 VAL 5 2HG1 VAL 5 9.238 -1.489 4.387 27 3HG1 VAL 5 3HG1 VAL 5 8.160 -2.226 5.585 28 1HG2 VAL 5 1HG2 VAL 5 9.980 -5.491 5.792 29 2HG2 VAL 5 2HG2 VAL 5 10.242 -4.061 6.798 30 3HG2 VAL 5 3HG2 VAL 5 8.589 -4.562 6.396 31 H LEU 6 H LEU 6 6.926 -4.044 1.862 32 HA LEU 6 HA LEU 6 8.504 -2.572 -0.159 33 1HB LEU 6 2HB LEU 6 6.899 -4.183 -0.970 34 2HB LEU 6 3HB LEU 6 5.617 -3.506 0.040 35 HG LEU 6 HG LEU 6 5.695 -1.416 -1.383 36 1HD1 LEU 6 1HD1 LEU 6 6.842 -1.553 -3.569 37 2HD1 LEU 6 2HD1 LEU 6 8.029 -1.648 -2.264 38 3HD1 LEU 6 3HD1 LEU 6 7.543 -3.123 -3.125 39 1HD2 LEU 6 1HD2 LEU 6 4.037 -3.144 -1.765 40 2HD2 LEU 6 2HD2 LEU 6 4.584 -2.500 -3.324 41 3HD2 LEU 6 3HD2 LEU 6 5.172 -4.077 -2.754 42 H GLU 7 H GLU 7 8.142 -0.321 -0.589 43 HA GLU 7 HA GLU 7 5.944 0.947 0.879 44 1HB GLU 7 2HB GLU 7 8.615 2.353 0.460 45 2HB GLU 7 3HB GLU 7 7.126 3.006 1.148 46 1HG GLU 7 2HG GLU 7 7.327 1.225 2.971 47 2HG GLU 7 3HG GLU 7 8.961 0.919 2.368 48 H LEU 8 H LEU 8 4.871 2.475 -0.301 49 HA LEU 8 HA LEU 8 5.806 3.063 -3.043 50 1HB LEU 8 2HB LEU 8 3.455 2.779 -3.875 51 2HB LEU 8 3HB LEU 8 4.425 1.348 -3.590 52 HG LEU 8 HG LEU 8 3.092 1.327 -1.232 53 1HD1 LEU 8 1HD1 LEU 8 1.230 2.680 -3.231 54 2HD1 LEU 8 2HD1 LEU 8 0.680 1.876 -1.764 55 3HD1 LEU 8 3HD1 LEU 8 1.690 3.318 -1.640 56 1HD2 LEU 8 1HD2 LEU 8 3.204 -0.482 -2.867 57 2HD2 LEU 8 2HD2 LEU 8 1.540 -0.220 -2.312 58 3HD2 LEU 8 3HD2 LEU 8 2.042 0.370 -3.915 59 H VAL 9 H VAL 9 6.023 5.202 -3.127 60 HA VAL 9 HA VAL 9 4.453 6.949 -1.381 61 HB VAL 9 HB VAL 9 6.371 7.396 -3.649 62 1HG1 VAL 9 1HG1 VAL 9 4.575 8.965 -4.236 63 2HG1 VAL 9 2HG1 VAL 9 4.498 9.540 -2.555 64 3HG1 VAL 9 3HG1 VAL 9 5.941 9.835 -3.539 65 1HG2 VAL 9 1HG2 VAL 9 7.182 7.213 -1.303 66 2HG2 VAL 9 2HG2 VAL 9 7.393 8.875 -1.890 67 3HG2 VAL 9 3HG2 VAL 9 6.057 8.497 -0.803 68 H VAL 10 H VAL 10 2.354 7.544 -1.740 69 HA VAL 10 HA VAL 10 1.165 6.998 -4.370 70 HB VAL 10 HB VAL 10 0.929 4.920 -3.188 71 1HG1 VAL 10 1HG1 VAL 10 -0.714 6.391 -1.124 72 2HG1 VAL 10 2HG1 VAL 10 -0.363 4.660 -1.185 73 3HG1 VAL 10 3HG1 VAL 10 0.950 5.812 -0.840 74 1HG2 VAL 10 1HG2 VAL 10 -1.664 6.491 -3.430 75 2HG2 VAL 10 2HG2 VAL 10 -0.925 5.419 -4.639 76 3HG2 VAL 10 3HG2 VAL 10 -1.591 4.756 -3.148 77 H ARG 11 H ARG 11 -0.467 8.404 -4.887 78 HA ARG 11 HA ARG 11 -1.370 10.342 -2.768 79 1HB ARG 11 2HB ARG 11 -0.546 10.883 -5.648 80 2HB ARG 11 3HB ARG 11 -1.451 12.035 -4.642 81 1HG ARG 11 2HG ARG 11 0.284 11.922 -2.904 82 2HG ARG 11 3HG ARG 11 1.253 10.823 -3.907 83 1HD ARG 11 2HD ARG 11 1.572 12.576 -5.571 84 2HD ARG 11 3HD ARG 11 0.489 13.667 -4.661 85 HE ARG 11 HE ARG 11 2.541 12.708 -2.910 86 1HH1 ARG 11 2HH2 ARG 11 2.233 14.949 -5.611 87 2HH1 ARG 11 1HH2 ARG 11 3.444 16.048 -5.015 88 1HH2 ARG 11 2HH1 ARG 11 4.002 14.040 -2.094 89 2HH2 ARG 11 1HH1 ARG 11 4.565 15.485 -2.918 90 H GLY 12 H GLY 12 -3.395 11.490 -3.428 91 1HA GLY 12 2HA GLY 12 -5.449 11.391 -4.719 92 2HA GLY 12 1HA GLY 12 -5.378 9.632 -4.704 93 H MET 13 H MET 13 -4.357 10.006 -1.724 94 HA MET 13 HA MET 13 -6.816 9.473 -0.422 95 1HB MET 13 2HB MET 13 -4.105 10.354 0.571 96 2HB MET 13 3HB MET 13 -5.432 9.950 1.667 97 1HG MET 13 2HG MET 13 -5.482 7.705 1.039 98 2HG MET 13 3HG MET 13 -4.551 7.956 -0.438 99 1HE MET 13 1HE MET 13 -1.981 9.558 0.340 100 2HE MET 13 2HE MET 13 -0.941 8.160 0.711 101 3HE MET 13 3HE MET 13 -2.104 8.085 -0.633 102 H THR 14 H THR 14 -8.482 10.894 -0.242 103 HA THR 14 HA THR 14 -8.121 13.752 -0.122 104 HB THR 14 HB THR 14 -10.614 13.644 0.272 105 HG1 THR 14 1HG THR 14 -11.525 11.544 0.048 106 1HG2 THR 14 1HG2 THR 14 -9.649 13.715 -2.025 107 2HG2 THR 14 2HG2 THR 14 -9.585 11.941 -2.054 108 3HG2 THR 14 3HG2 THR 14 -11.149 12.773 -1.968 109 H CYS 15 H CYS 15 -8.843 11.186 2.274 110 HA CYS 15 HA CYS 15 -8.373 12.968 4.554 111 1HB CYS 15 2HB CYS 15 -10.738 13.471 3.599 112 2HB CYS 15 3HB CYS 15 -11.161 11.812 4.062 113 HG CYS 15 HG CYS 15 -10.062 14.345 5.865 114 H ALA 16 H ALA 16 -8.980 11.666 6.629 115 HA ALA 16 HA ALA 16 -7.662 9.292 6.953 116 1HB ALA 16 1HB ALA 16 -8.494 10.698 8.780 117 2HB ALA 16 2HB ALA 16 -10.167 10.232 8.400 118 3HB ALA 16 3HB ALA 16 -9.016 9.016 8.990 119 H SER 17 H SER 17 -11.064 9.690 5.837 120 HA SER 17 HA SER 17 -11.956 7.085 5.827 121 1HB SER 17 2HB SER 17 -12.304 8.959 3.468 122 2HB SER 17 3HB SER 17 -13.488 7.855 4.189 123 HG SER 17 HG SER 17 -13.507 9.239 6.023 124 H CYS 18 H CYS 18 -9.828 8.676 3.364 125 HA CYS 18 HA CYS 18 -9.681 6.317 1.645 126 1HB CYS 18 2HB CYS 18 -7.987 8.846 1.800 127 2HB CYS 18 3HB CYS 18 -7.693 7.488 0.699 128 HG CYS 18 HG CYS 18 -10.416 9.316 0.937 129 H VAL 19 H VAL 19 -7.677 7.707 4.268 130 HA VAL 19 HA VAL 19 -5.488 5.994 4.091 131 HB VAL 19 HB VAL 19 -6.795 7.117 6.608 132 1HG1 VAL 19 1HG1 VAL 19 -4.761 6.912 7.751 133 2HG1 VAL 19 2HG1 VAL 19 -5.134 5.310 7.101 134 3HG1 VAL 19 3HG1 VAL 19 -3.911 6.337 6.319 135 1HG2 VAL 19 1HG2 VAL 19 -5.124 8.929 6.358 136 2HG2 VAL 19 2HG2 VAL 19 -4.607 8.226 4.807 137 3HG2 VAL 19 3HG2 VAL 19 -6.244 8.887 4.990 138 H HIS 20 H HIS 20 -8.443 5.535 6.147 139 HA HIS 20 HA HIS 20 -7.629 2.860 6.775 140 1HB HIS 20 2HB HIS 20 -9.046 3.026 8.394 141 2HB HIS 20 3HB HIS 20 -9.374 4.670 7.894 142 HD1 HIS 20 1HD HIS 20 -11.402 2.535 9.352 143 HD2 HIS 20 2HD HIS 20 -11.338 3.897 5.392 144 HE1 HIS 20 1HE HIS 20 -13.789 2.354 8.482 145 H LYS 21 H LYS 21 -9.487 4.187 4.082 146 HA LYS 21 HA LYS 21 -10.768 1.833 3.221 147 1HB LYS 21 2HB LYS 21 -10.841 4.267 2.315 148 2HB LYS 21 3HB LYS 21 -9.506 3.846 1.294 149 1HG LYS 21 2HG LYS 21 -12.028 2.156 1.285 150 2HG LYS 21 3HG LYS 21 -11.998 3.743 0.505 151 1HD LYS 21 2HD LYS 21 -9.938 3.039 -0.769 152 2HD LYS 21 3HD LYS 21 -10.201 1.384 -0.216 153 1HE LYS 21 2HE LYS 21 -12.191 3.129 -1.794 154 2HE LYS 21 3HE LYS 21 -11.120 1.947 -2.529 155 1HZ LYS 21 1HZ LYS 21 -13.289 1.048 -2.202 156 2HZ LYS 21 2HZ LYS 21 -12.223 0.226 -1.260 157 3HZ LYS 21 3HZ LYS 21 -13.243 1.330 -0.583 158 H ILE 22 H ILE 22 -7.554 3.149 2.532 159 HA ILE 22 HA ILE 22 -6.731 1.046 0.725 160 HB ILE 22 HB ILE 22 -5.040 2.962 2.398 161 1HG1 ILE 22 2HG1 ILE 22 -5.812 3.107 -0.522 162 2HG1 ILE 22 3HG1 ILE 22 -6.650 4.003 0.756 163 1HG2 ILE 22 1HG2 ILE 22 -3.297 2.421 0.710 164 2HG2 ILE 22 2HG2 ILE 22 -3.777 1.001 1.645 165 3HG2 ILE 22 3HG2 ILE 22 -4.433 1.241 0.006 166 1HD1 ILE 22 1HD1 ILE 22 -3.782 4.433 -0.094 167 2HD1 ILE 22 2HD1 ILE 22 -5.166 5.508 -0.307 168 3HD1 ILE 22 3HD1 ILE 22 -4.573 5.174 1.331 169 H GLU 23 H GLU 23 -5.961 1.871 4.123 170 HA GLU 23 HA GLU 23 -4.358 -0.290 4.651 171 1HB GLU 23 2HB GLU 23 -4.998 1.843 6.003 172 2HB GLU 23 3HB GLU 23 -6.242 0.859 6.757 173 1HG GLU 23 2HG GLU 23 -4.750 -0.298 8.032 174 2HG GLU 23 3HG GLU 23 -3.614 -0.502 6.699 175 H SER 24 H SER 24 -7.868 -0.050 5.207 176 HA SER 24 HA SER 24 -8.252 -2.689 6.237 177 1HB SER 24 2HB SER 24 -9.899 -0.853 6.477 178 2HB SER 24 3HB SER 24 -10.228 -0.914 4.736 179 HG SER 24 HG SER 24 -10.610 -3.034 6.597 180 H SER 25 H SER 25 -8.654 -1.326 2.918 181 HA SER 25 HA SER 25 -9.451 -3.789 1.748 182 1HB SER 25 2HB SER 25 -9.813 -1.492 0.861 183 2HB SER 25 3HB SER 25 -8.112 -1.437 0.377 184 HG SER 25 HG SER 25 -8.634 -3.494 -0.765 185 H LEU 26 H LEU 26 -6.277 -2.556 2.557 186 HA LEU 26 HA LEU 26 -4.931 -4.609 0.951 187 1HB LEU 26 2HB LEU 26 -4.013 -2.345 2.645 188 2HB LEU 26 3HB LEU 26 -2.983 -3.774 2.578 189 HG LEU 26 HG LEU 26 -2.407 -2.100 0.904 190 1HD1 LEU 26 1HD1 LEU 26 -3.260 -4.713 -0.404 191 2HD1 LEU 26 2HD1 LEU 26 -2.004 -3.593 -0.925 192 3HD1 LEU 26 3HD1 LEU 26 -1.812 -4.477 0.595 193 1HD2 LEU 26 1HD2 LEU 26 -5.087 -2.785 -0.388 194 2HD2 LEU 26 2HD2 LEU 26 -4.576 -1.213 0.254 195 3HD2 LEU 26 3HD2 LEU 26 -3.778 -1.908 -1.172 196 H THR 27 H THR 27 -5.539 -4.104 4.469 197 HA THR 27 HA THR 27 -4.183 -6.317 5.407 198 HB THR 27 HB THR 27 -5.816 -6.389 7.290 199 HG1 THR 27 1HG THR 27 -7.161 -4.641 5.588 200 1HG2 THR 27 1HG2 THR 27 -3.816 -5.060 7.452 201 2HG2 THR 27 2HG2 THR 27 -4.526 -3.735 6.526 202 3HG2 THR 27 3HG2 THR 27 -5.170 -4.138 8.126 203 H LYS 28 H LYS 28 -7.237 -6.394 3.658 204 HA LYS 28 HA LYS 28 -7.951 -9.081 4.285 205 1HB LYS 28 2HB LYS 28 -9.478 -8.934 2.452 206 2HB LYS 28 3HB LYS 28 -9.473 -7.411 3.351 207 1HG LYS 28 2HG LYS 28 -9.209 -6.373 1.338 208 2HG LYS 28 3HG LYS 28 -7.542 -6.894 1.479 209 1HD LYS 28 2HD LYS 28 -8.004 -7.581 -0.633 210 2HD LYS 28 3HD LYS 28 -8.296 -9.080 0.242 211 1HE LYS 28 2HE LYS 28 -10.341 -7.029 -0.767 212 2HE LYS 28 3HE LYS 28 -10.052 -8.639 -1.437 213 1HZ LYS 28 1HZ LYS 28 -11.994 -8.593 -0.040 214 2HZ LYS 28 2HZ LYS 28 -10.852 -9.573 0.627 215 3HZ LYS 28 3HZ LYS 28 -11.111 -8.073 1.249 216 H HIS 29 H HIS 29 -5.361 -7.959 2.092 217 HA HIS 29 HA HIS 29 -5.616 -10.195 0.273 218 1HB HIS 29 2HB HIS 29 -3.457 -8.131 0.759 219 2HB HIS 29 3HB HIS 29 -3.170 -9.536 -0.263 220 HD1 HIS 29 1HD HIS 29 -3.882 -9.225 -2.783 221 HD2 HIS 29 2HD HIS 29 -5.443 -6.414 -0.068 222 HE1 HIS 29 1HE HIS 29 -5.190 -7.634 -4.135 223 H ARG 30 H ARG 30 -4.905 -12.248 0.454 224 HA ARG 30 HA ARG 30 -3.686 -13.174 2.938 225 1HB ARG 30 2HB ARG 30 -4.289 -14.588 0.309 226 2HB ARG 30 3HB ARG 30 -3.711 -15.369 1.792 227 1HG ARG 30 2HG ARG 30 -5.721 -14.597 3.010 228 2HG ARG 30 3HG ARG 30 -6.334 -13.822 1.534 229 1HD ARG 30 2HD ARG 30 -6.350 -16.001 0.377 230 2HD ARG 30 3HD ARG 30 -5.713 -16.791 1.843 231 HE ARG 30 HE ARG 30 -8.057 -15.390 2.565 232 1HH1 ARG 30 2HH2 ARG 30 -7.118 -18.144 0.588 233 2HH1 ARG 30 1HH2 ARG 30 -8.609 -19.015 0.770 234 1HH2 ARG 30 2HH1 ARG 30 -10.070 -16.512 2.855 235 2HH2 ARG 30 1HH1 ARG 30 -10.333 -18.049 2.099 236 H GLY 31 H GLY 31 -1.831 -11.585 2.646 237 1HA GLY 31 2HA GLY 31 0.529 -13.021 1.866 238 2HA GLY 31 1HA GLY 31 0.096 -11.869 0.602 239 H ILE 32 H ILE 32 -0.919 -9.738 2.329 240 HA ILE 32 HA ILE 32 1.618 -8.738 3.365 241 HB ILE 32 HB ILE 32 0.697 -6.706 3.778 242 1HG1 ILE 32 2HG1 ILE 32 -1.217 -6.982 5.079 243 2HG1 ILE 32 3HG1 ILE 32 -1.683 -6.091 3.654 244 1HG2 ILE 32 1HG2 ILE 32 -0.823 -7.608 1.311 245 2HG2 ILE 32 2HG2 ILE 32 -0.303 -5.966 1.743 246 3HG2 ILE 32 3HG2 ILE 32 0.899 -7.215 1.377 247 1HD1 ILE 32 1HD1 ILE 32 -2.516 -8.235 2.651 248 2HD1 ILE 32 2HD1 ILE 32 -2.151 -9.069 4.168 249 3HD1 ILE 32 3HD1 ILE 32 -3.354 -7.817 4.141 250 H LEU 33 H LEU 33 1.955 -8.141 5.569 251 HA LEU 33 HA LEU 33 0.231 -9.574 7.554 252 1HB LEU 33 2HB LEU 33 2.022 -9.740 9.063 253 2HB LEU 33 3HB LEU 33 2.511 -10.401 7.509 254 HG LEU 33 HG LEU 33 3.486 -7.903 7.190 255 1HD1 LEU 33 1HD1 LEU 33 2.760 -7.096 9.438 256 2HD1 LEU 33 2HD1 LEU 33 3.652 -8.426 10.198 257 3HD1 LEU 33 3HD1 LEU 33 4.523 -7.155 9.329 258 1HD2 LEU 33 1HD2 LEU 33 5.672 -8.787 7.936 259 2HD2 LEU 33 2HD2 LEU 33 4.846 -10.151 8.718 260 3HD2 LEU 33 3HD2 LEU 33 4.782 -9.957 6.951 261 H TYR 34 H TYR 34 1.486 -6.427 6.436 262 HA TYR 34 HA TYR 34 -0.692 -5.235 7.870 263 1HB TYR 34 2HB TYR 34 1.124 -5.296 9.644 264 2HB TYR 34 3HB TYR 34 2.155 -4.388 8.556 265 HD1 TYR 34 HD1 TYR 34 -1.500 -3.863 9.482 266 HD2 TYR 34 HD2 TYR 34 2.547 -2.382 9.720 267 HE1 TYR 34 HE1 TYR 34 -2.347 -1.617 10.077 268 HE2 TYR 34 HE2 TYR 34 1.687 -0.213 10.537 269 HH TYR 34 HH TYR 34 -1.688 0.688 9.937 270 H CYS 35 H CYS 35 -1.147 -3.122 7.054 271 HA CYS 35 HA CYS 35 0.585 -2.021 4.916 272 1HB CYS 35 2HB CYS 35 -1.410 -2.675 3.707 273 2HB CYS 35 3HB CYS 35 -2.471 -2.097 5.024 274 HG CYS 35 HG CYS 35 -0.466 -0.559 2.971 275 H SER 36 H SER 36 1.049 0.148 5.419 276 HA SER 36 HA SER 36 -0.554 1.455 7.568 277 1HB SER 36 2HB SER 36 1.810 0.437 8.264 278 2HB SER 36 3HB SER 36 2.400 1.939 7.551 279 HG SER 36 HG SER 36 0.411 1.708 9.580 280 H VAL 37 H VAL 37 -1.610 2.891 6.115 281 HA VAL 37 HA VAL 37 0.174 4.389 4.286 282 HB VAL 37 HB VAL 37 -1.939 3.010 3.607 283 1HG1 VAL 37 1HG1 VAL 37 -3.437 4.124 5.296 284 2HG1 VAL 37 2HG1 VAL 37 -3.226 5.648 4.375 285 3HG1 VAL 37 3HG1 VAL 37 -3.998 4.264 3.625 286 1HG2 VAL 37 1HG2 VAL 37 -2.337 4.487 1.747 287 2HG2 VAL 37 2HG2 VAL 37 -1.534 5.840 2.595 288 3HG2 VAL 37 3HG2 VAL 37 -0.618 4.415 2.107 289 H ALA 38 H ALA 38 0.174 6.623 4.092 290 HA ALA 38 HA ALA 38 -1.557 8.161 5.880 291 1HB ALA 38 1HB ALA 38 0.353 7.795 7.371 292 2HB ALA 38 2HB ALA 38 1.466 8.402 6.121 293 3HB ALA 38 3HB ALA 38 0.253 9.491 6.843 294 H LEU 39 H LEU 39 -2.095 10.041 5.036 295 HA LEU 39 HA LEU 39 -1.345 10.593 2.290 296 1HB LEU 39 2HB LEU 39 -3.119 12.178 2.257 297 2HB LEU 39 3HB LEU 39 -3.625 10.690 3.045 298 HG LEU 39 HG LEU 39 -3.061 12.017 5.287 299 1HD1 LEU 39 1HD1 LEU 39 -2.191 14.097 4.147 300 2HD1 LEU 39 2HD1 LEU 39 -3.749 14.263 3.324 301 3HD1 LEU 39 3HD1 LEU 39 -3.650 14.412 5.088 302 1HD2 LEU 39 1HD2 LEU 39 -5.268 11.131 4.653 303 2HD2 LEU 39 2HD2 LEU 39 -5.425 12.759 5.329 304 3HD2 LEU 39 3HD2 LEU 39 -5.534 12.514 3.572 305 H ALA 40 H ALA 40 -0.581 11.977 5.433 306 HA ALA 40 HA ALA 40 0.619 14.404 4.630 307 1HB ALA 40 1HB ALA 40 1.404 12.511 6.897 308 2HB ALA 40 2HB ALA 40 1.909 14.206 6.731 309 3HB ALA 40 3HB ALA 40 0.197 13.814 6.980 310 H THR 41 H THR 41 2.174 11.127 5.089 311 HA THR 41 HA THR 41 4.620 11.829 3.821 312 HB THR 41 HB THR 41 3.453 9.050 3.944 313 HG1 THR 41 1HG THR 41 3.983 9.049 6.200 314 1HG2 THR 41 1HG2 THR 41 5.828 9.489 3.213 315 2HG2 THR 41 2HG2 THR 41 6.153 10.203 4.803 316 3HG2 THR 41 3HG2 THR 41 5.736 8.482 4.674 317 H ASN 42 H ASN 42 1.457 10.660 2.804 318 HA ASN 42 HA ASN 42 0.546 9.924 0.942 319 1HB ASN 42 2HB ASN 42 1.634 10.783 -1.346 320 2HB ASN 42 3HB ASN 42 0.431 11.645 -0.404 321 1HD2 ASN 42 1HD2 ASN 42 1.417 13.139 1.354 322 2HD2 ASN 42 2HD2 ASN 42 2.703 14.176 0.786 323 H LYS 43 H LYS 43 1.686 8.209 2.205 324 HA LYS 43 HA LYS 43 3.191 6.567 0.302 325 1HB LYS 43 2HB LYS 43 4.891 7.728 1.726 326 2HB LYS 43 3HB LYS 43 4.107 7.025 3.161 327 1HG LYS 43 2HG LYS 43 4.578 4.744 2.263 328 2HG LYS 43 3HG LYS 43 5.446 5.465 0.905 329 1HD LYS 43 2HD LYS 43 6.134 5.818 3.878 330 2HD LYS 43 3HD LYS 43 6.785 4.573 2.827 331 1HE LYS 43 2HE LYS 43 7.593 6.491 1.272 332 2HE LYS 43 3HE LYS 43 7.249 7.575 2.618 333 1HZ LYS 43 1HZ LYS 43 8.808 6.226 3.942 334 2HZ LYS 43 2HZ LYS 43 9.139 5.294 2.643 335 3HZ LYS 43 3HZ LYS 43 9.512 6.902 2.625 336 H ALA 44 H ALA 44 2.746 4.395 0.478 337 HA ALA 44 HA ALA 44 1.371 3.433 2.943 338 1HB ALA 44 1HB ALA 44 0.085 3.016 0.658 339 2HB ALA 44 2HB ALA 44 1.382 1.848 0.392 340 3HB ALA 44 3HB ALA 44 0.334 1.688 1.804 341 H HIS 45 H HIS 45 2.710 2.218 4.183 342 HA HIS 45 HA HIS 45 4.902 0.781 2.765 343 1HB HIS 45 2HB HIS 45 5.999 0.268 4.627 344 2HB HIS 45 3HB HIS 45 5.569 1.956 4.866 345 HD1 HIS 45 1HD HIS 45 5.444 2.100 7.399 346 HD2 HIS 45 2HD HIS 45 3.909 -1.504 5.872 347 HE1 HIS 45 1HE HIS 45 4.864 0.634 9.400 348 H ILE 46 H ILE 46 4.807 -1.433 2.678 349 HA ILE 46 HA ILE 46 2.443 -2.808 3.814 350 HB ILE 46 HB ILE 46 3.519 -3.091 1.019 351 1HG1 ILE 46 2HG1 ILE 46 0.883 -3.038 0.629 352 2HG1 ILE 46 3HG1 ILE 46 0.844 -2.233 2.191 353 1HG2 ILE 46 1HG2 ILE 46 1.714 -4.923 2.592 354 2HG2 ILE 46 2HG2 ILE 46 1.898 -5.000 0.820 355 3HG2 ILE 46 3HG2 ILE 46 3.293 -5.282 1.842 356 1HD1 ILE 46 1HD1 ILE 46 2.211 -0.381 1.251 357 2HD1 ILE 46 2HD1 ILE 46 2.477 -1.307 -0.232 358 3HD1 ILE 46 3HD1 ILE 46 0.855 -0.714 0.173 359 H LYS 47 H LYS 47 3.129 -4.207 5.079 360 HA LYS 47 HA LYS 47 5.859 -5.409 4.988 361 1HB LYS 47 2HB LYS 47 3.715 -5.466 7.156 362 2HB LYS 47 3HB LYS 47 5.253 -6.345 7.163 363 1HG LYS 47 2HG LYS 47 6.339 -4.009 6.748 364 2HG LYS 47 3HG LYS 47 4.790 -3.353 7.321 365 1HD LYS 47 2HD LYS 47 5.035 -4.655 9.422 366 2HD LYS 47 3HD LYS 47 6.527 -5.388 8.784 367 1HE LYS 47 2HE LYS 47 7.514 -3.058 8.589 368 2HE LYS 47 3HE LYS 47 6.091 -2.433 9.444 369 1HZ LYS 47 1HZ LYS 47 6.705 -3.860 11.298 370 2HZ LYS 47 2HZ LYS 47 8.010 -4.428 10.466 371 3HZ LYS 47 3HZ LYS 47 7.946 -2.846 10.916 372 H TYR 48 H TYR 48 5.966 -7.492 4.176 373 HA TYR 48 HA TYR 48 3.711 -9.215 3.900 374 1HB TYR 48 2HB TYR 48 3.176 -8.989 1.613 375 2HB TYR 48 3HB TYR 48 3.050 -7.372 2.267 376 HD1 TYR 48 HD1 TYR 48 6.026 -6.502 2.122 377 HD2 TYR 48 HD2 TYR 48 3.493 -8.634 -0.648 378 HE1 TYR 48 HE1 TYR 48 7.622 -6.067 0.324 379 HE2 TYR 48 HE2 TYR 48 5.007 -7.999 -2.494 380 HH TYR 48 HH TYR 48 8.048 -6.214 -1.937 381 H ASP 49 H ASP 49 4.273 -11.202 2.754 382 HA ASP 49 HA ASP 49 7.172 -11.640 2.529 383 1HB ASP 49 2HB ASP 49 5.811 -13.371 3.481 384 2HB ASP 49 3HB ASP 49 4.790 -13.428 2.047 385 HA PRO 50 HA PRO 50 6.600 -10.071 -1.687 386 1HB PRO 50 2HB PRO 50 9.169 -10.076 -2.574 387 2HB PRO 50 3HB PRO 50 8.620 -8.952 -1.297 388 1HG PRO 50 2HG PRO 50 10.016 -11.617 -0.911 389 2HG PRO 50 3HG PRO 50 10.464 -10.038 -0.197 390 1HD PRO 50 2HD PRO 50 8.955 -11.856 1.154 391 2HD PRO 50 3HD PRO 50 8.629 -10.107 1.300 392 H GLU 51 H GLU 51 7.712 -13.280 -0.815 393 HA GLU 51 HA GLU 51 8.288 -14.164 -3.531 394 1HB GLU 51 2HB GLU 51 9.344 -15.007 -1.408 395 2HB GLU 51 3HB GLU 51 7.791 -15.744 -0.974 396 1HG GLU 51 2HG GLU 51 7.915 -17.177 -2.991 397 2HG GLU 51 3HG GLU 51 9.464 -16.430 -3.420 398 H ILE 52 H ILE 52 5.715 -14.661 -1.115 399 HA ILE 52 HA ILE 52 4.266 -16.475 -2.757 400 HB ILE 52 HB ILE 52 2.509 -16.338 -1.053 401 1HG1 ILE 52 2HG1 ILE 52 4.115 -14.048 0.080 402 2HG1 ILE 52 3HG1 ILE 52 2.409 -14.082 -0.365 403 1HG2 ILE 52 1HG2 ILE 52 4.619 -17.739 -0.867 404 2HG2 ILE 52 2HG2 ILE 52 5.289 -16.485 0.195 405 3HG2 ILE 52 3HG2 ILE 52 3.838 -17.394 0.671 406 1HD1 ILE 52 1HD1 ILE 52 2.531 -14.169 2.021 407 2HD1 ILE 52 2HD1 ILE 52 1.936 -15.729 1.425 408 3HD1 ILE 52 3HD1 ILE 52 3.617 -15.559 1.993 409 H ILE 53 H ILE 53 3.463 -13.142 -1.924 410 HA ILE 53 HA ILE 53 1.201 -13.233 -3.832 411 HB ILE 53 HB ILE 53 0.757 -12.638 -1.553 412 1HG1 ILE 53 2HG1 ILE 53 0.320 -10.094 -3.114 413 2HG1 ILE 53 3HG1 ILE 53 -0.381 -11.611 -3.675 414 1HG2 ILE 53 1HG2 ILE 53 1.423 -10.467 -0.565 415 2HG2 ILE 53 2HG2 ILE 53 2.839 -11.460 -0.898 416 3HG2 ILE 53 3HG2 ILE 53 2.407 -10.107 -1.971 417 1HD1 ILE 53 1HD1 ILE 53 -1.448 -11.921 -1.407 418 2HD1 ILE 53 2HD1 ILE 53 -0.860 -10.299 -0.961 419 3HD1 ILE 53 3HD1 ILE 53 -2.027 -10.500 -2.273 420 H GLY 54 H GLY 54 3.918 -11.129 -3.070 421 1HA GLY 54 2HA GLY 54 5.373 -10.084 -4.508 422 2HA GLY 54 1HA GLY 54 4.380 -10.514 -5.910 423 HA PRO 55 HA PRO 55 3.834 -6.058 -4.193 424 1HB PRO 55 2HB PRO 55 5.338 -4.570 -5.952 425 2HB PRO 55 3HB PRO 55 6.003 -5.361 -4.496 426 1HG PRO 55 2HG PRO 55 6.024 -6.451 -7.318 427 2HG PRO 55 3HG PRO 55 7.406 -6.300 -6.187 428 1HD PRO 55 2HD PRO 55 6.084 -8.650 -6.405 429 2HD PRO 55 3HD PRO 55 6.547 -8.048 -4.787 430 H ARG 56 H ARG 56 3.554 -7.423 -7.441 431 HA ARG 56 HA ARG 56 2.171 -5.317 -8.731 432 1HB ARG 56 2HB ARG 56 2.388 -8.303 -9.118 433 2HB ARG 56 3HB ARG 56 1.028 -7.487 -9.876 434 1HG ARG 56 2HG ARG 56 2.805 -7.595 -11.458 435 2HG ARG 56 3HG ARG 56 2.481 -5.913 -11.024 436 1HD ARG 56 2HD ARG 56 4.456 -5.933 -9.507 437 2HD ARG 56 3HD ARG 56 4.757 -7.637 -9.956 438 HE ARG 56 HE ARG 56 4.574 -6.013 -12.300 439 1HH1 ARG 56 2HH2 ARG 56 6.748 -6.625 -9.606 440 2HH1 ARG 56 1HH2 ARG 56 8.201 -6.172 -10.443 441 1HH2 ARG 56 2HH1 ARG 56 6.473 -5.401 -13.468 442 2HH2 ARG 56 1HH1 ARG 56 8.029 -5.457 -12.709 443 H ASP 57 H ASP 57 0.853 -8.042 -6.855 444 HA ASP 57 HA ASP 57 -1.890 -7.638 -6.992 445 1HB ASP 57 2HB ASP 57 -0.968 -9.527 -5.842 446 2HB ASP 57 3HB ASP 57 -0.007 -8.504 -4.770 447 H ILE 58 H ILE 58 0.190 -6.357 -4.422 448 HA ILE 58 HA ILE 58 -1.505 -4.387 -3.350 449 HB ILE 58 HB ILE 58 1.517 -4.581 -3.596 450 1HG1 ILE 58 2HG1 ILE 58 0.281 -4.896 -0.944 451 2HG1 ILE 58 3HG1 ILE 58 -0.366 -6.061 -2.092 452 1HG2 ILE 58 1HG2 ILE 58 -0.086 -2.625 -1.914 453 2HG2 ILE 58 2HG2 ILE 58 1.646 -2.980 -1.724 454 3HG2 ILE 58 3HG2 ILE 58 1.058 -2.255 -3.223 455 1HD1 ILE 58 1HD1 ILE 58 2.596 -5.647 -1.559 456 2HD1 ILE 58 2HD1 ILE 58 1.577 -6.982 -0.962 457 3HD1 ILE 58 3HD1 ILE 58 1.873 -6.812 -2.699 458 H ILE 59 H ILE 59 1.028 -3.685 -5.815 459 HA ILE 59 HA ILE 59 0.300 -0.992 -6.045 460 HB ILE 59 HB ILE 59 1.543 -2.962 -7.987 461 1HG1 ILE 59 2HG1 ILE 59 2.765 -0.587 -6.516 462 2HG1 ILE 59 3HG1 ILE 59 2.714 -2.215 -5.837 463 1HG2 ILE 59 1HG2 ILE 59 2.242 -1.049 -9.405 464 2HG2 ILE 59 2HG2 ILE 59 0.500 -1.256 -9.406 465 3HG2 ILE 59 3HG2 ILE 59 1.233 0.033 -8.424 466 1HD1 ILE 59 1HD1 ILE 59 4.182 -1.399 -8.369 467 2HD1 ILE 59 2HD1 ILE 59 4.869 -1.903 -6.819 468 3HD1 ILE 59 3HD1 ILE 59 3.979 -3.078 -7.808 469 H HIS 60 H HIS 60 -1.147 -3.766 -7.673 470 HA HIS 60 HA HIS 60 -2.794 -2.082 -9.395 471 1HB HIS 60 2HB HIS 60 -2.748 -5.074 -8.963 472 2HB HIS 60 3HB HIS 60 -3.810 -4.233 -10.105 473 HD1 HIS 60 1HD HIS 60 -1.895 -2.174 -11.459 474 HD2 HIS 60 2HD HIS 60 -0.884 -6.156 -10.480 475 HE1 HIS 60 1HE HIS 60 0.107 -2.808 -12.905 476 H THR 61 H THR 61 -3.205 -3.737 -6.272 477 HA THR 61 HA THR 61 -6.053 -3.202 -6.105 478 HB THR 61 HB THR 61 -3.906 -3.712 -4.015 479 HG1 THR 61 1HG THR 61 -5.357 -5.530 -3.785 480 1HG2 THR 61 1HG2 THR 61 -5.808 -3.900 -2.396 481 2HG2 THR 61 2HG2 THR 61 -5.512 -2.240 -2.922 482 3HG2 THR 61 3HG2 THR 61 -6.877 -3.162 -3.605 483 H ILE 62 H ILE 62 -3.124 -1.421 -5.020 484 HA ILE 62 HA ILE 62 -4.503 0.789 -3.914 485 HB ILE 62 HB ILE 62 -1.740 0.641 -5.179 486 1HG1 ILE 62 2HG1 ILE 62 -2.101 -0.981 -3.252 487 2HG1 ILE 62 3HG1 ILE 62 -0.820 0.206 -3.038 488 1HG2 ILE 62 1HG2 ILE 62 -3.046 2.719 -3.381 489 2HG2 ILE 62 2HG2 ILE 62 -1.287 2.560 -3.574 490 3HG2 ILE 62 3HG2 ILE 62 -2.302 2.961 -4.973 491 1HD1 ILE 62 1HD1 ILE 62 -2.163 -0.189 -1.045 492 2HD1 ILE 62 2HD1 ILE 62 -2.334 1.498 -1.565 493 3HD1 ILE 62 3HD1 ILE 62 -3.628 0.315 -1.919 494 H GLU 63 H GLU 63 -3.183 0.350 -7.233 495 HA GLU 63 HA GLU 63 -4.070 2.655 -8.500 496 1HB GLU 63 2HB GLU 63 -2.595 0.881 -9.391 497 2HB GLU 63 3HB GLU 63 -3.951 -0.246 -9.395 498 1HG GLU 63 2HG GLU 63 -5.098 1.163 -11.057 499 2HG GLU 63 3HG GLU 63 -3.661 2.208 -11.115 500 H SER 64 H SER 64 -5.786 -0.492 -8.434 501 HA SER 64 HA SER 64 -8.151 0.273 -9.625 502 1HB SER 64 2HB SER 64 -7.416 -2.013 -9.273 503 2HB SER 64 3HB SER 64 -7.709 -1.877 -7.525 504 HG SER 64 HG SER 64 -9.436 -2.876 -8.727 505 H LEU 65 H LEU 65 -7.412 0.369 -6.122 506 HA LEU 65 HA LEU 65 -10.048 1.097 -5.279 507 1HB LEU 65 2HB LEU 65 -7.322 1.524 -4.021 508 2HB LEU 65 3HB LEU 65 -8.837 1.861 -3.180 509 HG LEU 65 HG LEU 65 -8.114 -0.897 -4.248 510 1HD1 LEU 65 1HD1 LEU 65 -7.505 -1.406 -1.913 511 2HD1 LEU 65 2HD1 LEU 65 -6.486 -0.100 -2.543 512 3HD1 LEU 65 3HD1 LEU 65 -7.826 0.278 -1.445 513 1HD2 LEU 65 1HD2 LEU 65 -10.151 -0.164 -2.136 514 2HD2 LEU 65 2HD2 LEU 65 -10.572 -0.468 -3.839 515 3HD2 LEU 65 3HD2 LEU 65 -9.845 -1.744 -2.870 516 H GLY 66 H GLY 66 -7.700 2.976 -6.960 517 1HA GLY 66 2HA GLY 66 -8.377 4.951 -8.002 518 2HA GLY 66 1HA GLY 66 -9.476 5.345 -6.674 519 H PHE 67 H PHE 67 -5.988 4.427 -6.806 520 HA PHE 67 HA PHE 67 -5.215 7.103 -5.786 521 1HB PHE 67 2HB PHE 67 -4.245 4.461 -4.633 522 2HB PHE 67 3HB PHE 67 -3.709 6.072 -4.166 523 HD1 PHE 67 1HD PHE 67 -6.070 3.470 -3.456 524 HD2 PHE 67 2HD PHE 67 -5.549 7.730 -3.368 525 HE1 PHE 67 1HE PHE 67 -7.988 3.672 -1.901 526 HE2 PHE 67 2HE PHE 67 -7.577 7.952 -1.963 527 HZ PHE 67 HZ PHE 67 -8.730 5.921 -1.119 528 H GLU 68 H GLU 68 -2.807 7.335 -5.981 529 HA GLU 68 HA GLU 68 -1.900 6.088 -8.529 530 1HB GLU 68 2HB GLU 68 -2.558 8.381 -8.817 531 2HB GLU 68 3HB GLU 68 -1.650 8.896 -7.386 532 1HG GLU 68 2HG GLU 68 -0.589 9.545 -9.535 533 2HG GLU 68 3HG GLU 68 0.468 8.557 -8.528 534 HA PRO 69 HA PRO 69 1.308 4.954 -5.506 535 1HB PRO 69 2HB PRO 69 1.655 2.352 -6.078 536 2HB PRO 69 3HB PRO 69 0.230 2.958 -5.190 537 1HG PRO 69 2HG PRO 69 0.397 2.249 -8.101 538 2HG PRO 69 3HG PRO 69 -0.855 1.788 -6.917 539 1HD PRO 69 2HD PRO 69 -1.039 3.965 -8.682 540 2HD PRO 69 3HD PRO 69 -1.870 3.908 -7.102 541 H SER 70 H SER 70 3.062 6.004 -6.136 542 HA SER 70 HA SER 70 4.702 5.133 -8.427 543 1HB SER 70 2HB SER 70 4.736 7.502 -7.505 544 2HB SER 70 3HB SER 70 5.470 6.846 -6.029 545 HG SER 70 HG SER 70 6.495 6.727 -8.681 546 H LEU 71 H LEU 71 7.109 4.963 -7.043 547 HA LEU 71 HA LEU 71 6.832 2.224 -5.839 548 1HB LEU 71 2HB LEU 71 9.047 1.796 -6.742 549 2HB LEU 71 3HB LEU 71 7.944 2.302 -7.994 550 HG LEU 71 HG LEU 71 9.437 4.588 -6.806 551 1HD1 LEU 71 1HD1 LEU 71 10.954 2.423 -8.316 552 2HD1 LEU 71 2HD1 LEU 71 11.566 4.043 -7.914 553 3HD1 LEU 71 3HD1 LEU 71 11.200 2.893 -6.620 554 1HD2 LEU 71 1HD2 LEU 71 9.736 5.175 -9.158 555 2HD2 LEU 71 2HD2 LEU 71 9.171 3.573 -9.672 556 3HD2 LEU 71 3HD2 LEU 71 8.047 4.706 -8.904 557 H VAL 72 H VAL 72 9.430 2.025 -4.855 558 HA VAL 72 HA VAL 72 9.500 3.504 -2.383 559 HB VAL 72 HB VAL 72 11.777 2.515 -2.199 560 1HG1 VAL 72 1HG1 VAL 72 9.780 1.401 -1.288 561 2HG1 VAL 72 2HG1 VAL 72 9.563 0.524 -2.819 562 3HG1 VAL 72 3HG1 VAL 72 10.995 0.232 -1.816 563 1HG2 VAL 72 1HG2 VAL 72 11.104 0.965 -4.754 564 2HG2 VAL 72 2HG2 VAL 72 12.387 2.182 -4.618 565 3HG2 VAL 72 3HG2 VAL 72 12.477 0.700 -3.677 566 H LYS 73 H LYS 73 9.106 5.558 -3.447 567 HA LYS 73 HA LYS 73 10.844 6.897 -5.153 568 1HB LYS 73 2HB LYS 73 8.562 7.588 -4.356 569 2HB LYS 73 3HB LYS 73 9.289 8.040 -2.805 570 1HG LYS 73 2HG LYS 73 8.894 10.012 -4.047 571 2HG LYS 73 3HG LYS 73 10.638 9.789 -4.012 572 1HD LYS 73 2HD LYS 73 10.565 8.849 -6.322 573 2HD LYS 73 3HD LYS 73 8.792 8.964 -6.312 574 1HE LYS 73 2HE LYS 73 8.967 11.443 -6.038 575 2HE LYS 73 3HE LYS 73 10.733 11.322 -6.062 576 1HZ LYS 73 1HZ LYS 73 9.848 11.933 -8.196 577 2HZ LYS 73 2HZ LYS 73 10.577 10.465 -8.304 578 3HZ LYS 73 3HZ LYS 73 8.934 10.570 -8.275 579 H ILE 74 H ILE 74 12.593 8.348 -4.846 580 HA ILE 74 HA ILE 74 14.414 7.881 -2.708 581 HB ILE 74 HB ILE 74 15.015 8.659 -4.967 582 1HG1 ILE 74 2HG1 ILE 74 15.906 10.597 -2.784 583 2HG1 ILE 74 3HG1 ILE 74 16.515 8.948 -3.010 584 1HG2 ILE 74 1HG2 ILE 74 13.098 10.323 -5.236 585 2HG2 ILE 74 2HG2 ILE 74 14.009 11.428 -4.190 586 3HG2 ILE 74 3HG2 ILE 74 14.678 10.907 -5.746 587 1HD1 ILE 74 1HD1 ILE 74 18.068 10.454 -4.062 588 2HD1 ILE 74 2HD1 ILE 74 17.208 9.567 -5.342 589 3HD1 ILE 74 3HD1 ILE 74 16.779 11.255 -4.975 590 H GLU 75 H GLU 75 14.731 9.005 -0.746 591 HA GLU 75 HA GLU 75 13.193 11.328 -0.014 592 1HB GLU 75 2HB GLU 75 12.975 8.631 1.424 593 2HB GLU 75 3HB GLU 75 12.451 10.179 2.093 594 1HG GLU 75 2HG GLU 75 10.782 10.419 0.267 595 2HG GLU 75 3HG GLU 75 11.297 8.868 -0.415 Start of MODEL 4 1 1H MET 1 H1 MET 1 15.074 -13.759 4.518 2 2H MET 1 H2 MET 1 15.857 -13.600 3.048 3 3H MET 1 H3 MET 1 15.286 -12.273 3.876 4 HA MET 1 HA MET 1 13.596 -12.566 2.368 5 1HB MET 1 2HB MET 1 13.987 -15.541 2.929 6 2HB MET 1 3HB MET 1 12.618 -14.878 2.023 7 1HG MET 1 2HG MET 1 14.064 -14.019 0.283 8 2HG MET 1 3HG MET 1 15.517 -14.409 1.207 9 1HE MET 1 1HE MET 1 12.316 -16.741 0.574 10 2HE MET 1 2HE MET 1 12.581 -15.825 -0.931 11 3HE MET 1 3HE MET 1 12.904 -17.568 -0.879 12 H GLY 2 H GLY 2 11.257 -12.711 3.053 13 1HA GLY 2 2HA GLY 2 9.874 -13.379 5.159 14 2HA GLY 2 1HA GLY 2 11.100 -12.374 5.975 15 H ASP 3 H ASP 3 9.437 -10.716 6.444 16 HA ASP 3 HA ASP 3 7.758 -9.395 4.873 17 1HB ASP 3 2HB ASP 3 9.698 -7.895 6.678 18 2HB ASP 3 3HB ASP 3 8.008 -7.530 6.288 19 H GLY 4 H GLY 4 8.215 -8.984 2.663 20 1HA GLY 4 2HA GLY 4 10.835 -7.829 1.873 21 2HA GLY 4 1HA GLY 4 9.512 -8.318 0.809 22 H VAL 5 H VAL 5 9.787 -6.049 3.558 23 HA VAL 5 HA VAL 5 7.488 -4.808 2.860 24 HB VAL 5 HB VAL 5 7.726 -3.267 4.550 25 1HG1 VAL 5 1HG1 VAL 5 8.716 -4.386 6.429 26 2HG1 VAL 5 2HG1 VAL 5 8.040 -5.607 5.336 27 3HG1 VAL 5 3HG1 VAL 5 9.797 -5.326 5.402 28 1HG2 VAL 5 1HG2 VAL 5 10.727 -3.233 4.145 29 2HG2 VAL 5 2HG2 VAL 5 9.558 -1.918 3.834 30 3HG2 VAL 5 3HG2 VAL 5 9.862 -2.445 5.488 31 H LEU 6 H LEU 6 6.776 -2.872 1.897 32 HA LEU 6 HA LEU 6 8.737 -1.421 0.214 33 1HB LEU 6 2HB LEU 6 7.828 -3.298 -1.145 34 2HB LEU 6 3HB LEU 6 6.185 -2.723 -0.815 35 HG LEU 6 HG LEU 6 6.651 -0.632 -2.048 36 1HD1 LEU 6 1HD1 LEU 6 8.723 -0.499 -3.456 37 2HD1 LEU 6 2HD1 LEU 6 9.086 -0.369 -1.737 38 3HD1 LEU 6 3HD1 LEU 6 9.380 -1.901 -2.587 39 1HD2 LEU 6 1HD2 LEU 6 5.732 -2.615 -3.208 40 2HD2 LEU 6 2HD2 LEU 6 6.767 -1.661 -4.287 41 3HD2 LEU 6 3HD2 LEU 6 7.380 -3.167 -3.577 42 H GLU 7 H GLU 7 8.181 0.680 -0.131 43 HA GLU 7 HA GLU 7 5.758 1.765 1.238 44 1HB GLU 7 2HB GLU 7 8.443 3.002 0.580 45 2HB GLU 7 3HB GLU 7 7.049 3.865 1.264 46 1HG GLU 7 2HG GLU 7 7.221 2.750 3.337 47 2HG GLU 7 3HG GLU 7 8.211 1.456 2.659 48 H LEU 8 H LEU 8 4.232 2.421 -0.183 49 HA LEU 8 HA LEU 8 5.092 3.226 -2.917 50 1HB LEU 8 2HB LEU 8 2.269 2.498 -2.048 51 2HB LEU 8 3HB LEU 8 2.878 2.674 -3.701 52 HG LEU 8 HG LEU 8 3.755 0.467 -1.805 53 1HD1 LEU 8 1HD1 LEU 8 1.730 0.466 -4.073 54 2HD1 LEU 8 2HD1 LEU 8 2.255 -0.941 -3.124 55 3HD1 LEU 8 3HD1 LEU 8 1.348 0.378 -2.352 56 1HD2 LEU 8 1HD2 LEU 8 5.437 0.967 -3.525 57 2HD2 LEU 8 2HD2 LEU 8 4.575 -0.520 -3.954 58 3HD2 LEU 8 3HD2 LEU 8 4.189 1.005 -4.783 59 H VAL 9 H VAL 9 4.982 5.422 -3.250 60 HA VAL 9 HA VAL 9 3.685 7.141 -1.201 61 HB VAL 9 HB VAL 9 5.598 7.642 -3.467 62 1HG1 VAL 9 1HG1 VAL 9 3.739 9.757 -2.289 63 2HG1 VAL 9 2HG1 VAL 9 5.200 10.091 -3.236 64 3HG1 VAL 9 3HG1 VAL 9 3.834 9.272 -3.996 65 1HG2 VAL 9 1HG2 VAL 9 6.245 7.328 -1.024 66 2HG2 VAL 9 2HG2 VAL 9 6.742 8.894 -1.715 67 3HG2 VAL 9 3HG2 VAL 9 5.329 8.794 -0.646 68 H VAL 10 H VAL 10 1.597 7.680 -1.451 69 HA VAL 10 HA VAL 10 0.278 6.880 -4.019 70 HB VAL 10 HB VAL 10 -1.694 6.339 -2.487 71 1HG1 VAL 10 1HG1 VAL 10 0.788 4.592 -2.724 72 2HG1 VAL 10 2HG1 VAL 10 -0.780 4.016 -2.147 73 3HG1 VAL 10 3HG1 VAL 10 -0.635 4.632 -3.802 74 1HG2 VAL 10 1HG2 VAL 10 -0.485 7.160 -0.375 75 2HG2 VAL 10 2HG2 VAL 10 -1.215 5.545 -0.306 76 3HG2 VAL 10 3HG2 VAL 10 0.538 5.724 -0.537 77 H ARG 11 H ARG 11 -0.507 8.555 -5.003 78 HA ARG 11 HA ARG 11 -1.466 10.943 -3.459 79 1HB ARG 11 2HB ARG 11 -1.144 10.490 -6.438 80 2HB ARG 11 3HB ARG 11 -1.884 11.925 -5.742 81 1HG ARG 11 2HG ARG 11 0.915 11.042 -4.959 82 2HG ARG 11 3HG ARG 11 0.605 12.065 -6.371 83 1HD ARG 11 2HD ARG 11 -0.366 13.816 -5.038 84 2HD ARG 11 3HD ARG 11 -0.371 12.791 -3.581 85 HE ARG 11 HE ARG 11 2.280 12.956 -4.525 86 1HH1 ARG 11 2HH2 ARG 11 -0.184 14.887 -2.924 87 2HH1 ARG 11 1HH2 ARG 11 0.916 15.804 -1.941 88 1HH2 ARG 11 2HH1 ARG 11 3.793 14.147 -3.245 89 2HH2 ARG 11 1HH1 ARG 11 3.249 15.376 -2.150 90 H GLY 12 H GLY 12 -3.662 11.774 -4.334 91 1HA GLY 12 2HA GLY 12 -5.765 11.269 -5.261 92 2HA GLY 12 1HA GLY 12 -5.537 9.549 -4.983 93 H MET 13 H MET 13 -4.599 10.030 -2.102 94 HA MET 13 HA MET 13 -7.176 9.818 -0.924 95 1HB MET 13 2HB MET 13 -4.627 10.607 0.518 96 2HB MET 13 3HB MET 13 -6.099 9.967 1.231 97 1HG MET 13 2HG MET 13 -4.916 8.015 1.167 98 2HG MET 13 3HG MET 13 -5.655 7.926 -0.432 99 1HE MET 13 1HE MET 13 -1.262 8.983 0.541 100 2HE MET 13 2HE MET 13 -2.570 10.096 0.919 101 3HE MET 13 3HE MET 13 -2.494 8.508 1.722 102 H THR 14 H THR 14 -8.519 11.289 0.044 103 HA THR 14 HA THR 14 -7.645 14.028 0.623 104 HB THR 14 HB THR 14 -8.045 14.176 -1.777 105 HG1 THR 14 1HG THR 14 -10.041 15.337 -0.157 106 1HG2 THR 14 1HG2 THR 14 -10.271 13.815 -2.749 107 2HG2 THR 14 2HG2 THR 14 -9.605 12.301 -2.123 108 3HG2 THR 14 3HG2 THR 14 -10.868 13.162 -1.213 109 H CYS 15 H CYS 15 -8.713 11.700 2.131 110 HA CYS 15 HA CYS 15 -10.482 13.182 3.819 111 1HB CYS 15 2HB CYS 15 -12.247 12.507 2.194 112 2HB CYS 15 3HB CYS 15 -11.680 10.821 2.283 113 HG CYS 15 HG CYS 15 -13.785 10.819 3.689 114 H ALA 16 H ALA 16 -10.388 12.220 5.875 115 HA ALA 16 HA ALA 16 -8.426 10.556 6.765 116 1HB ALA 16 1HB ALA 16 -9.920 10.004 8.659 117 2HB ALA 16 2HB ALA 16 -10.007 11.737 8.255 118 3HB ALA 16 3HB ALA 16 -11.311 10.624 7.758 119 H SER 17 H SER 17 -11.687 9.477 5.684 120 HA SER 17 HA SER 17 -11.670 6.825 6.234 121 1HB SER 17 2HB SER 17 -12.574 7.993 3.572 122 2HB SER 17 3HB SER 17 -13.271 6.617 4.449 123 HG SER 17 HG SER 17 -13.864 8.111 6.103 124 H CYS 18 H CYS 18 -9.856 8.415 3.612 125 HA CYS 18 HA CYS 18 -9.242 6.222 1.949 126 1HB CYS 18 2HB CYS 18 -7.515 8.627 2.620 127 2HB CYS 18 3HB CYS 18 -7.265 7.477 1.288 128 HG CYS 18 HG CYS 18 -9.903 9.355 1.860 129 H VAL 19 H VAL 19 -7.769 7.216 5.057 130 HA VAL 19 HA VAL 19 -5.515 5.555 5.003 131 HB VAL 19 HB VAL 19 -7.225 6.477 7.351 132 1HG1 VAL 19 1HG1 VAL 19 -5.798 4.583 8.048 133 2HG1 VAL 19 2HG1 VAL 19 -4.375 5.400 7.369 134 3HG1 VAL 19 3HG1 VAL 19 -5.238 6.106 8.744 135 1HG2 VAL 19 1HG2 VAL 19 -5.498 8.225 7.591 136 2HG2 VAL 19 2HG2 VAL 19 -4.664 7.618 6.145 137 3HG2 VAL 19 3HG2 VAL 19 -6.277 8.344 6.009 138 H HIS 20 H HIS 20 -8.775 4.917 6.456 139 HA HIS 20 HA HIS 20 -8.097 2.201 7.115 140 1HB HIS 20 2HB HIS 20 -9.813 2.489 8.464 141 2HB HIS 20 3HB HIS 20 -10.107 4.092 7.814 142 HD1 HIS 20 1HD HIS 20 -11.967 1.132 8.480 143 HD2 HIS 20 2HD HIS 20 -11.624 3.720 5.188 144 HE1 HIS 20 1HE HIS 20 -14.065 0.844 7.084 145 H LYS 21 H LYS 21 -9.444 3.881 4.334 146 HA LYS 21 HA LYS 21 -10.660 1.703 3.030 147 1HB LYS 21 2HB LYS 21 -10.400 4.336 2.492 148 2HB LYS 21 3HB LYS 21 -9.192 3.745 1.365 149 1HG LYS 21 2HG LYS 21 -12.119 2.903 1.535 150 2HG LYS 21 3HG LYS 21 -11.437 4.091 0.407 151 1HD LYS 21 2HD LYS 21 -9.894 2.281 -0.466 152 2HD LYS 21 3HD LYS 21 -10.818 1.095 0.461 153 1HE LYS 21 2HE LYS 21 -11.866 2.947 -1.751 154 2HE LYS 21 3HE LYS 21 -11.554 1.217 -1.906 155 1HZ LYS 21 1HZ LYS 21 -13.277 0.804 -0.290 156 2HZ LYS 21 2HZ LYS 21 -13.596 2.416 -0.164 157 3HZ LYS 21 3HZ LYS 21 -13.860 1.633 -1.584 158 H ILE 22 H ILE 22 -7.320 2.955 2.907 159 HA ILE 22 HA ILE 22 -6.467 0.924 1.017 160 HB ILE 22 HB ILE 22 -4.776 2.761 2.756 161 1HG1 ILE 22 2HG1 ILE 22 -5.417 2.949 -0.201 162 2HG1 ILE 22 3HG1 ILE 22 -6.304 3.855 1.037 163 1HG2 ILE 22 1HG2 ILE 22 -3.078 2.096 0.861 164 2HG2 ILE 22 2HG2 ILE 22 -3.457 0.862 2.076 165 3HG2 ILE 22 3HG2 ILE 22 -4.228 0.820 0.480 166 1HD1 ILE 22 1HD1 ILE 22 -3.361 4.223 0.388 167 2HD1 ILE 22 2HD1 ILE 22 -4.695 5.323 0.047 168 3HD1 ILE 22 3HD1 ILE 22 -4.243 4.997 1.729 169 H GLU 23 H GLU 23 -6.000 1.506 4.541 170 HA GLU 23 HA GLU 23 -4.526 -0.754 5.182 171 1HB GLU 23 2HB GLU 23 -5.641 1.255 6.645 172 2HB GLU 23 3HB GLU 23 -6.734 -0.048 7.095 173 1HG GLU 23 2HG GLU 23 -3.693 -0.084 7.338 174 2HG GLU 23 3HG GLU 23 -4.842 0.177 8.652 175 H SER 24 H SER 24 -8.069 -0.475 5.236 176 HA SER 24 HA SER 24 -8.554 -3.208 5.928 177 1HB SER 24 2HB SER 24 -10.141 -1.342 6.332 178 2HB SER 24 3HB SER 24 -10.450 -1.233 4.587 179 HG SER 24 HG SER 24 -10.847 -3.575 6.149 180 H SER 25 H SER 25 -8.558 -1.464 2.794 181 HA SER 25 HA SER 25 -9.339 -3.658 1.179 182 1HB SER 25 2HB SER 25 -9.289 -1.339 0.469 183 2HB SER 25 3HB SER 25 -7.525 -1.306 0.514 184 HG SER 25 HG SER 25 -7.503 -2.833 -1.151 185 H LEU 26 H LEU 26 -6.222 -2.849 2.665 186 HA LEU 26 HA LEU 26 -4.849 -4.916 1.122 187 1HB LEU 26 2HB LEU 26 -4.025 -2.708 2.873 188 2HB LEU 26 3HB LEU 26 -3.018 -4.133 3.001 189 HG LEU 26 HG LEU 26 -3.898 -2.982 0.340 190 1HD1 LEU 26 1HD1 LEU 26 -1.341 -2.426 1.884 191 2HD1 LEU 26 2HD1 LEU 26 -1.639 -1.935 0.200 192 3HD1 LEU 26 3HD1 LEU 26 -2.641 -1.269 1.507 193 1HD2 LEU 26 1HD2 LEU 26 -2.354 -4.351 -0.715 194 2HD2 LEU 26 2HD2 LEU 26 -1.347 -4.552 0.731 195 3HD2 LEU 26 3HD2 LEU 26 -2.863 -5.443 0.566 196 H THR 27 H THR 27 -5.822 -4.526 4.589 197 HA THR 27 HA THR 27 -4.691 -7.045 5.383 198 HB THR 27 HB THR 27 -6.082 -6.470 7.494 199 HG1 THR 27 1HG THR 27 -6.285 -3.899 7.106 200 1HG2 THR 27 1HG2 THR 27 -3.638 -6.046 7.226 201 2HG2 THR 27 2HG2 THR 27 -4.011 -4.469 6.490 202 3HG2 THR 27 3HG2 THR 27 -4.453 -4.799 8.177 203 H LYS 28 H LYS 28 -5.637 -8.076 3.601 204 HA LYS 28 HA LYS 28 -7.874 -9.780 4.143 205 1HB LYS 28 2HB LYS 28 -9.525 -9.014 2.667 206 2HB LYS 28 3HB LYS 28 -9.000 -7.606 3.576 207 1HG LYS 28 2HG LYS 28 -9.209 -6.714 1.541 208 2HG LYS 28 3HG LYS 28 -7.481 -7.064 1.567 209 1HD LYS 28 2HD LYS 28 -7.717 -8.797 -0.075 210 2HD LYS 28 3HD LYS 28 -9.364 -9.150 0.427 211 1HE LYS 28 2HE LYS 28 -9.400 -8.186 -1.783 212 2HE LYS 28 3HE LYS 28 -10.201 -7.108 -0.634 213 1HZ LYS 28 1HZ LYS 28 -8.797 -5.856 -2.080 214 2HZ LYS 28 2HZ LYS 28 -8.115 -5.817 -0.586 215 3HZ LYS 28 3HZ LYS 28 -7.470 -6.758 -1.743 216 H HIS 29 H HIS 29 -5.542 -8.442 1.741 217 HA HIS 29 HA HIS 29 -5.732 -10.369 -0.232 218 1HB HIS 29 2HB HIS 29 -3.463 -8.662 0.828 219 2HB HIS 29 3HB HIS 29 -3.181 -9.871 -0.415 220 HD1 HIS 29 1HD HIS 29 -3.738 -9.138 -2.939 221 HD2 HIS 29 2HD HIS 29 -5.601 -6.845 0.096 222 HE1 HIS 29 1HE HIS 29 -5.321 -7.568 -4.076 223 H ARG 30 H ARG 30 -4.320 -10.840 2.967 224 HA ARG 30 HA ARG 30 -3.260 -12.599 3.933 225 1HB ARG 30 2HB ARG 30 -5.357 -13.747 3.051 226 2HB ARG 30 3HB ARG 30 -4.373 -14.405 1.746 227 1HG ARG 30 2HG ARG 30 -3.921 -14.838 4.743 228 2HG ARG 30 3HG ARG 30 -4.715 -15.962 3.627 229 1HD ARG 30 2HD ARG 30 -2.597 -16.024 2.267 230 2HD ARG 30 3HD ARG 30 -1.800 -15.101 3.577 231 HE ARG 30 HE ARG 30 -3.026 -17.373 4.717 232 1HH1 ARG 30 2HH2 ARG 30 -0.421 -16.514 2.512 233 2HH1 ARG 30 1HH2 ARG 30 0.614 -17.849 2.910 234 1HH2 ARG 30 2HH1 ARG 30 -1.697 -19.215 5.272 235 2HH2 ARG 30 1HH1 ARG 30 -0.155 -19.438 4.513 236 H GLY 31 H GLY 31 -1.448 -11.277 3.170 237 1HA GLY 31 2HA GLY 31 0.642 -12.657 1.820 238 2HA GLY 31 1HA GLY 31 -0.168 -11.554 0.684 239 H ILE 32 H ILE 32 -0.868 -9.428 1.992 240 HA ILE 32 HA ILE 32 1.037 -7.927 3.408 241 HB ILE 32 HB ILE 32 -1.875 -8.040 3.016 242 1HG1 ILE 32 2HG1 ILE 32 -0.149 -6.309 2.142 243 2HG1 ILE 32 3HG1 ILE 32 -1.741 -5.789 2.719 244 1HG2 ILE 32 1HG2 ILE 32 -0.964 -7.117 5.746 245 2HG2 ILE 32 2HG2 ILE 32 -2.463 -6.595 4.956 246 3HG2 ILE 32 3HG2 ILE 32 -2.221 -8.306 5.340 247 1HD1 ILE 32 1HD1 ILE 32 -0.727 -5.106 4.873 248 2HD1 ILE 32 2HD1 ILE 32 0.848 -5.653 4.262 249 3HD1 ILE 32 3HD1 ILE 32 0.005 -4.276 3.519 250 H LEU 33 H LEU 33 1.927 -8.176 5.277 251 HA LEU 33 HA LEU 33 0.921 -10.007 7.371 252 1HB LEU 33 2HB LEU 33 3.314 -10.191 6.818 253 2HB LEU 33 3HB LEU 33 3.512 -8.442 6.977 254 HG LEU 33 HG LEU 33 2.957 -8.595 9.404 255 1HD1 LEU 33 1HD1 LEU 33 2.968 -11.599 8.843 256 2HD1 LEU 33 2HD1 LEU 33 3.020 -10.867 10.463 257 3HD1 LEU 33 3HD1 LEU 33 1.593 -10.642 9.442 258 1HD2 LEU 33 1HD2 LEU 33 5.229 -10.363 8.423 259 2HD2 LEU 33 2HD2 LEU 33 5.245 -8.595 8.579 260 3HD2 LEU 33 3HD2 LEU 33 5.113 -9.607 10.030 261 H TYR 34 H TYR 34 1.864 -6.584 6.570 262 HA TYR 34 HA TYR 34 -0.208 -5.592 8.373 263 1HB TYR 34 2HB TYR 34 1.742 -5.968 9.899 264 2HB TYR 34 3HB TYR 34 2.742 -4.986 8.849 265 HD1 TYR 34 HD1 TYR 34 3.189 -2.834 9.652 266 HD2 TYR 34 HD2 TYR 34 -0.657 -4.618 10.474 267 HE1 TYR 34 HE1 TYR 34 2.415 -0.720 10.682 268 HE2 TYR 34 HE2 TYR 34 -1.474 -2.454 11.323 269 HH TYR 34 HH TYR 34 -1.023 -0.219 11.494 270 H CYS 35 H CYS 35 -0.918 -3.535 7.748 271 HA CYS 35 HA CYS 35 0.513 -2.211 5.477 272 1HB CYS 35 2HB CYS 35 -1.761 -3.085 4.854 273 2HB CYS 35 3HB CYS 35 -2.455 -2.158 6.187 274 HG CYS 35 HG CYS 35 -2.890 -1.103 3.887 275 H SER 36 H SER 36 0.818 0.077 5.754 276 HA SER 36 HA SER 36 -0.596 1.372 7.974 277 1HB SER 36 2HB SER 36 1.882 0.307 8.615 278 2HB SER 36 3HB SER 36 2.300 1.962 8.155 279 HG SER 36 HG SER 36 0.542 1.084 10.186 280 H VAL 37 H VAL 37 -1.551 2.860 6.603 281 HA VAL 37 HA VAL 37 0.262 4.437 4.886 282 HB VAL 37 HB VAL 37 -1.623 4.900 3.539 283 1HG1 VAL 37 1HG1 VAL 37 -0.867 2.335 3.644 284 2HG1 VAL 37 2HG1 VAL 37 -2.451 2.120 4.398 285 3HG1 VAL 37 3HG1 VAL 37 -2.330 2.850 2.790 286 1HG2 VAL 37 1HG2 VAL 37 -3.375 3.776 5.772 287 2HG2 VAL 37 2HG2 VAL 37 -3.272 5.484 5.250 288 3HG2 VAL 37 3HG2 VAL 37 -3.929 4.254 4.161 289 H ALA 38 H ALA 38 -0.006 6.712 4.728 290 HA ALA 38 HA ALA 38 -1.657 8.052 6.715 291 1HB ALA 38 1HB ALA 38 1.362 8.438 6.755 292 2HB ALA 38 2HB ALA 38 0.162 9.456 7.591 293 3HB ALA 38 3HB ALA 38 0.366 7.752 8.061 294 H LEU 39 H LEU 39 -2.325 9.958 5.977 295 HA LEU 39 HA LEU 39 -1.824 10.564 3.184 296 1HB LEU 39 2HB LEU 39 -3.448 12.332 3.415 297 2HB LEU 39 3HB LEU 39 -4.076 10.763 3.885 298 HG LEU 39 HG LEU 39 -3.045 12.499 6.123 299 1HD1 LEU 39 1HD1 LEU 39 -5.626 13.089 4.622 300 2HD1 LEU 39 2HD1 LEU 39 -5.139 13.798 6.176 301 3HD1 LEU 39 3HD1 LEU 39 -4.200 14.146 4.716 302 1HD2 LEU 39 1HD2 LEU 39 -5.589 10.845 5.766 303 2HD2 LEU 39 2HD2 LEU 39 -4.121 10.269 6.574 304 3HD2 LEU 39 3HD2 LEU 39 -5.035 11.611 7.265 305 H ALA 40 H ALA 40 -0.925 12.048 6.291 306 HA ALA 40 HA ALA 40 0.242 14.422 5.316 307 1HB ALA 40 1HB ALA 40 1.082 12.692 7.686 308 2HB ALA 40 2HB ALA 40 1.550 14.383 7.410 309 3HB ALA 40 3HB ALA 40 -0.152 13.972 7.702 310 H THR 41 H THR 41 1.706 11.148 5.766 311 HA THR 41 HA THR 41 4.257 11.862 4.625 312 HB THR 41 HB THR 41 3.066 9.095 4.933 313 HG1 THR 41 1HG THR 41 3.979 10.791 7.008 314 1HG2 THR 41 1HG2 THR 41 5.349 8.530 5.684 315 2HG2 THR 41 2HG2 THR 41 5.413 9.305 4.088 316 3HG2 THR 41 3HG2 THR 41 5.846 10.230 5.540 317 H ASN 42 H ASN 42 1.166 11.375 3.294 318 HA ASN 42 HA ASN 42 0.265 10.655 1.441 319 1HB ASN 42 2HB ASN 42 1.439 12.755 0.711 320 2HB ASN 42 3HB ASN 42 2.787 11.762 0.115 321 1HD2 ASN 42 1HD2 ASN 42 -0.813 11.788 -0.011 322 2HD2 ASN 42 2HD2 ASN 42 -0.844 11.005 -1.574 323 H LYS 43 H LYS 43 1.285 8.565 2.769 324 HA LYS 43 HA LYS 43 2.670 6.891 0.734 325 1HB LYS 43 2HB LYS 43 4.336 7.975 2.134 326 2HB LYS 43 3HB LYS 43 3.554 7.341 3.597 327 1HG LYS 43 2HG LYS 43 4.066 5.053 2.965 328 2HG LYS 43 3HG LYS 43 4.712 5.569 1.400 329 1HD LYS 43 2HD LYS 43 5.833 6.359 4.140 330 2HD LYS 43 3HD LYS 43 6.415 5.014 3.158 331 1HE LYS 43 2HE LYS 43 6.793 6.746 1.265 332 2HE LYS 43 3HE LYS 43 6.568 7.994 2.488 333 1HZ LYS 43 1HZ LYS 43 8.414 7.044 3.703 334 2HZ LYS 43 2HZ LYS 43 8.610 5.862 2.586 335 3HZ LYS 43 3HZ LYS 43 8.874 7.428 2.169 336 H ALA 44 H ALA 44 2.358 4.742 0.832 337 HA ALA 44 HA ALA 44 0.790 3.568 3.060 338 1HB ALA 44 1HB ALA 44 -0.001 1.889 1.387 339 2HB ALA 44 2HB ALA 44 -0.591 3.525 1.027 340 3HB ALA 44 3HB ALA 44 0.758 2.842 0.098 341 H HIS 45 H HIS 45 2.310 2.445 4.304 342 HA HIS 45 HA HIS 45 4.488 1.089 2.819 343 1HB HIS 45 2HB HIS 45 5.764 0.985 4.569 344 2HB HIS 45 3HB HIS 45 4.886 2.433 5.031 345 HD1 HIS 45 1HD HIS 45 4.972 2.220 7.587 346 HD2 HIS 45 2HD HIS 45 4.172 -1.432 5.654 347 HE1 HIS 45 1HE HIS 45 4.814 0.444 9.403 348 H ILE 46 H ILE 46 4.570 -1.058 2.665 349 HA ILE 46 HA ILE 46 2.380 -2.685 3.847 350 HB ILE 46 HB ILE 46 3.705 -2.968 1.141 351 1HG1 ILE 46 2HG1 ILE 46 1.044 -2.608 0.550 352 2HG1 ILE 46 3HG1 ILE 46 1.164 -1.597 1.981 353 1HG2 ILE 46 1HG2 ILE 46 2.604 -4.872 0.759 354 2HG2 ILE 46 2HG2 ILE 46 2.664 -5.034 2.522 355 3HG2 ILE 46 3HG2 ILE 46 1.199 -4.447 1.737 356 1HD1 ILE 46 1HD1 ILE 46 3.088 -0.377 0.825 357 2HD1 ILE 46 2HD1 ILE 46 2.829 -1.433 -0.574 358 3HD1 ILE 46 3HD1 ILE 46 1.557 -0.301 -0.061 359 H LYS 47 H LYS 47 3.164 -4.129 5.109 360 HA LYS 47 HA LYS 47 5.852 -5.364 4.713 361 1HB LYS 47 2HB LYS 47 3.965 -5.673 7.078 362 2HB LYS 47 3HB LYS 47 5.547 -6.416 6.838 363 1HG LYS 47 2HG LYS 47 6.420 -3.938 6.698 364 2HG LYS 47 3HG LYS 47 4.865 -3.516 7.436 365 1HD LYS 47 2HD LYS 47 5.302 -5.163 9.269 366 2HD LYS 47 3HD LYS 47 6.832 -5.622 8.500 367 1HE LYS 47 2HE LYS 47 7.653 -3.267 8.787 368 2HE LYS 47 3HE LYS 47 6.166 -2.883 9.673 369 1HZ LYS 47 1HZ LYS 47 8.133 -4.954 10.430 370 2HZ LYS 47 2HZ LYS 47 7.998 -3.471 11.136 371 3HZ LYS 47 3HZ LYS 47 6.780 -4.570 11.279 372 H TYR 48 H TYR 48 5.674 -7.241 3.531 373 HA TYR 48 HA TYR 48 3.342 -8.944 3.703 374 1HB TYR 48 2HB TYR 48 2.862 -8.853 1.309 375 2HB TYR 48 3HB TYR 48 2.657 -7.252 1.991 376 HD1 TYR 48 HD1 TYR 48 4.761 -5.628 1.799 377 HD2 TYR 48 HD2 TYR 48 4.242 -9.183 -0.576 378 HE1 TYR 48 HE1 TYR 48 6.480 -4.844 0.253 379 HE2 TYR 48 HE2 TYR 48 5.956 -8.355 -2.155 380 HH TYR 48 HH TYR 48 8.121 -5.878 -1.132 381 H ASP 49 H ASP 49 3.804 -11.003 2.571 382 HA ASP 49 HA ASP 49 6.710 -11.582 2.410 383 1HB ASP 49 2HB ASP 49 5.483 -13.205 3.582 384 2HB ASP 49 3HB ASP 49 4.248 -13.299 2.314 385 HA PRO 50 HA PRO 50 6.064 -10.575 -1.948 386 1HB PRO 50 2HB PRO 50 8.595 -10.984 -2.922 387 2HB PRO 50 3HB PRO 50 8.163 -9.567 -1.920 388 1HG PRO 50 2HG PRO 50 9.426 -12.159 -0.994 389 2HG PRO 50 3HG PRO 50 9.963 -10.492 -0.631 390 1HD PRO 50 2HD PRO 50 8.435 -11.914 1.095 391 2HD PRO 50 3HD PRO 50 8.135 -10.165 0.878 392 H GLU 51 H GLU 51 7.248 -13.709 -0.685 393 HA GLU 51 HA GLU 51 7.337 -14.803 -3.422 394 1HB GLU 51 2HB GLU 51 9.107 -15.085 -1.570 395 2HB GLU 51 3HB GLU 51 8.013 -16.278 -0.861 396 1HG GLU 51 2HG GLU 51 8.205 -17.674 -2.850 397 2HG GLU 51 3HG GLU 51 8.991 -16.371 -3.761 398 H ILE 52 H ILE 52 4.812 -13.999 -2.283 399 HA ILE 52 HA ILE 52 3.320 -16.419 -2.954 400 HB ILE 52 HB ILE 52 1.672 -16.094 -1.106 401 1HG1 ILE 52 2HG1 ILE 52 3.839 -14.377 0.153 402 2HG1 ILE 52 3HG1 ILE 52 2.190 -13.901 -0.268 403 1HG2 ILE 52 1HG2 ILE 52 3.456 -17.901 -1.203 404 2HG2 ILE 52 2HG2 ILE 52 4.407 -16.916 -0.070 405 3HG2 ILE 52 3HG2 ILE 52 2.820 -17.556 0.399 406 1HD1 ILE 52 1HD1 ILE 52 1.294 -15.590 1.332 407 2HD1 ILE 52 2HD1 ILE 52 2.961 -15.868 1.905 408 3HD1 ILE 52 3HD1 ILE 52 2.216 -14.282 2.088 409 H ILE 53 H ILE 53 2.966 -13.044 -1.925 410 HA ILE 53 HA ILE 53 0.734 -12.717 -3.873 411 HB ILE 53 HB ILE 53 0.161 -12.078 -1.693 412 1HG1 ILE 53 2HG1 ILE 53 0.738 -9.408 -2.982 413 2HG1 ILE 53 3HG1 ILE 53 -0.347 -10.571 -3.763 414 1HG2 ILE 53 1HG2 ILE 53 2.646 -10.317 -1.627 415 2HG2 ILE 53 2HG2 ILE 53 1.334 -10.163 -0.478 416 3HG2 ILE 53 3HG2 ILE 53 2.234 -11.666 -0.544 417 1HD1 ILE 53 1HD1 ILE 53 -1.818 -10.613 -1.918 418 2HD1 ILE 53 2HD1 ILE 53 -0.740 -9.643 -0.883 419 3HD1 ILE 53 3HD1 ILE 53 -1.505 -8.897 -2.285 420 H GLY 54 H GLY 54 3.852 -11.284 -3.018 421 1HA GLY 54 2HA GLY 54 5.356 -10.100 -4.258 422 2HA GLY 54 1HA GLY 54 4.364 -10.305 -5.711 423 HA PRO 55 HA PRO 55 3.796 -5.964 -3.751 424 1HB PRO 55 2HB PRO 55 5.454 -4.442 -5.307 425 2HB PRO 55 3HB PRO 55 5.999 -5.274 -3.826 426 1HG PRO 55 2HG PRO 55 6.289 -6.239 -6.682 427 2HG PRO 55 3HG PRO 55 7.551 -6.158 -5.417 428 1HD PRO 55 2HD PRO 55 6.189 -8.473 -5.940 429 2HD PRO 55 3HD PRO 55 6.649 -8.035 -4.276 430 H ARG 56 H ARG 56 3.951 -7.401 -6.941 431 HA ARG 56 HA ARG 56 2.845 -5.394 -8.530 432 1HB ARG 56 2HB ARG 56 2.618 -8.425 -8.716 433 2HB ARG 56 3HB ARG 56 2.215 -7.348 -10.046 434 1HG ARG 56 2HG ARG 56 4.983 -7.164 -8.792 435 2HG ARG 56 3HG ARG 56 4.600 -8.534 -9.821 436 1HD ARG 56 2HD ARG 56 5.745 -6.614 -10.954 437 2HD ARG 56 3HD ARG 56 4.303 -7.214 -11.737 438 HE ARG 56 HE ARG 56 4.623 -4.676 -10.162 439 1HH1 ARG 56 2HH2 ARG 56 2.662 -6.524 -12.532 440 2HH1 ARG 56 1HH2 ARG 56 1.464 -5.245 -12.629 441 1HH2 ARG 56 2HH1 ARG 56 2.956 -3.025 -10.418 442 2HH2 ARG 56 1HH1 ARG 56 1.623 -3.386 -11.495 443 H ASP 57 H ASP 57 1.113 -8.095 -6.920 444 HA ASP 57 HA ASP 57 -1.514 -7.496 -7.700 445 1HB ASP 57 2HB ASP 57 -0.806 -9.580 -6.472 446 2HB ASP 57 3HB ASP 57 -0.478 -8.606 -5.044 447 H ILE 58 H ILE 58 0.285 -6.529 -4.832 448 HA ILE 58 HA ILE 58 -1.666 -4.919 -3.570 449 HB ILE 58 HB ILE 58 1.375 -5.006 -3.450 450 1HG1 ILE 58 2HG1 ILE 58 -0.878 -6.208 -1.773 451 2HG1 ILE 58 3HG1 ILE 58 0.241 -7.070 -2.834 452 1HG2 ILE 58 1HG2 ILE 58 0.669 -2.785 -2.670 453 2HG2 ILE 58 2HG2 ILE 58 -0.471 -3.532 -1.541 454 3HG2 ILE 58 3HG2 ILE 58 1.281 -3.786 -1.362 455 1HD1 ILE 58 1HD1 ILE 58 0.835 -5.772 -0.200 456 2HD1 ILE 58 2HD1 ILE 58 1.001 -7.470 -0.652 457 3HD1 ILE 58 3HD1 ILE 58 2.131 -6.275 -1.329 458 H ILE 59 H ILE 59 1.090 -3.798 -5.610 459 HA ILE 59 HA ILE 59 0.309 -1.087 -5.679 460 HB ILE 59 HB ILE 59 1.864 -2.860 -7.532 461 1HG1 ILE 59 2HG1 ILE 59 2.771 -0.451 -5.979 462 2HG1 ILE 59 3HG1 ILE 59 2.742 -2.089 -5.299 463 1HG2 ILE 59 1HG2 ILE 59 0.814 -1.211 -9.051 464 2HG2 ILE 59 2HG2 ILE 59 1.385 0.098 -7.994 465 3HG2 ILE 59 3HG2 ILE 59 2.536 -0.907 -8.887 466 1HD1 ILE 59 1HD1 ILE 59 4.967 -1.658 -6.093 467 2HD1 ILE 59 2HD1 ILE 59 4.227 -2.868 -7.156 468 3HD1 ILE 59 3HD1 ILE 59 4.389 -1.177 -7.690 469 H HIS 60 H HIS 60 -0.712 -3.755 -7.928 470 HA HIS 60 HA HIS 60 -2.370 -1.986 -9.464 471 1HB HIS 60 2HB HIS 60 -2.257 -4.992 -9.218 472 2HB HIS 60 3HB HIS 60 -3.522 -4.182 -10.152 473 HD1 HIS 60 1HD HIS 60 -2.291 -2.079 -11.860 474 HD2 HIS 60 2HD HIS 60 -0.231 -5.599 -10.775 475 HE1 HIS 60 1HE HIS 60 -0.375 -2.332 -13.503 476 H THR 61 H THR 61 -3.023 -3.852 -6.512 477 HA THR 61 HA THR 61 -5.854 -3.417 -6.508 478 HB THR 61 HB THR 61 -3.963 -3.684 -4.127 479 HG1 THR 61 1HG THR 61 -3.953 -5.469 -5.606 480 1HG2 THR 61 1HG2 THR 61 -5.953 -4.388 -2.913 481 2HG2 THR 61 2HG2 THR 61 -6.223 -2.757 -3.533 482 3HG2 THR 61 3HG2 THR 61 -6.966 -4.147 -4.354 483 H ILE 62 H ILE 62 -3.152 -1.559 -4.968 484 HA ILE 62 HA ILE 62 -4.904 0.452 -3.965 485 HB ILE 62 HB ILE 62 -1.914 0.628 -4.456 486 1HG1 ILE 62 2HG1 ILE 62 -2.147 -1.217 -2.971 487 2HG1 ILE 62 3HG1 ILE 62 -1.889 0.151 -1.915 488 1HG2 ILE 62 1HG2 ILE 62 -2.850 2.833 -4.091 489 2HG2 ILE 62 2HG2 ILE 62 -3.815 2.258 -2.714 490 3HG2 ILE 62 3HG2 ILE 62 -2.048 2.304 -2.609 491 1HD1 ILE 62 1HD1 ILE 62 -4.454 0.245 -1.676 492 2HD1 ILE 62 2HD1 ILE 62 -4.470 -1.337 -2.494 493 3HD1 ILE 62 3HD1 ILE 62 -3.622 -1.144 -0.961 494 H GLU 63 H GLU 63 -2.927 0.409 -6.937 495 HA GLU 63 HA GLU 63 -3.600 2.772 -8.229 496 1HB GLU 63 2HB GLU 63 -2.065 0.954 -8.941 497 2HB GLU 63 3HB GLU 63 -3.451 -0.100 -9.184 498 1HG GLU 63 2HG GLU 63 -4.249 1.402 -10.967 499 2HG GLU 63 3HG GLU 63 -2.738 2.332 -10.804 500 H SER 64 H SER 64 -5.398 -0.340 -8.303 501 HA SER 64 HA SER 64 -7.663 0.701 -9.629 502 1HB SER 64 2HB SER 64 -7.013 -1.652 -9.626 503 2HB SER 64 3HB SER 64 -7.503 -1.790 -7.922 504 HG SER 64 HG SER 64 -9.595 -0.862 -8.816 505 H LEU 65 H LEU 65 -6.848 1.321 -6.315 506 HA LEU 65 HA LEU 65 -9.689 1.686 -5.517 507 1HB LEU 65 2HB LEU 65 -7.182 2.579 -4.079 508 2HB LEU 65 3HB LEU 65 -8.825 2.544 -3.442 509 HG LEU 65 HG LEU 65 -7.100 0.159 -4.142 510 1HD1 LEU 65 1HD1 LEU 65 -8.183 1.055 -1.458 511 2HD1 LEU 65 2HD1 LEU 65 -7.069 -0.289 -1.782 512 3HD1 LEU 65 3HD1 LEU 65 -6.542 1.379 -2.047 513 1HD2 LEU 65 1HD2 LEU 65 -9.947 0.171 -3.100 514 2HD2 LEU 65 2HD2 LEU 65 -9.409 -0.431 -4.685 515 3HD2 LEU 65 3HD2 LEU 65 -8.895 -1.251 -3.211 516 H GLY 66 H GLY 66 -7.383 3.371 -7.421 517 1HA GLY 66 2HA GLY 66 -7.452 5.493 -8.289 518 2HA GLY 66 1HA GLY 66 -8.909 5.871 -7.350 519 H PHE 67 H PHE 67 -5.755 4.579 -6.267 520 HA PHE 67 HA PHE 67 -4.943 7.215 -5.312 521 1HB PHE 67 2HB PHE 67 -4.350 4.667 -3.772 522 2HB PHE 67 3HB PHE 67 -3.931 6.311 -3.298 523 HD1 PHE 67 1HD PHE 67 -6.378 7.838 -3.489 524 HD2 PHE 67 2HD PHE 67 -5.911 3.730 -2.327 525 HE1 PHE 67 1HE PHE 67 -8.447 7.992 -2.143 526 HE2 PHE 67 2HE PHE 67 -7.945 3.892 -0.921 527 HZ PHE 67 HZ PHE 67 -9.207 6.034 -0.808 528 H GLU 68 H GLU 68 -2.638 7.417 -5.569 529 HA GLU 68 HA GLU 68 -1.884 5.757 -7.879 530 1HB GLU 68 2HB GLU 68 -0.753 8.476 -7.262 531 2HB GLU 68 3HB GLU 68 -0.943 7.650 -8.805 532 1HG GLU 68 2HG GLU 68 -3.188 8.840 -7.098 533 2HG GLU 68 3HG GLU 68 -2.556 9.449 -8.624 534 HA PRO 69 HA PRO 69 1.476 4.539 -4.963 535 1HB PRO 69 2HB PRO 69 1.907 1.970 -5.817 536 2HB PRO 69 3HB PRO 69 0.570 2.456 -4.732 537 1HG PRO 69 2HG PRO 69 0.459 2.124 -7.742 538 2HG PRO 69 3HG PRO 69 -0.619 1.390 -6.508 539 1HD PRO 69 2HD PRO 69 -1.328 3.642 -7.795 540 2HD PRO 69 3HD PRO 69 -1.584 3.493 -6.026 541 H SER 70 H SER 70 2.731 6.153 -5.971 542 HA SER 70 HA SER 70 4.695 5.420 -8.029 543 1HB SER 70 2HB SER 70 4.185 7.776 -7.588 544 2HB SER 70 3HB SER 70 4.639 7.592 -5.883 545 HG SER 70 HG SER 70 6.753 7.335 -6.461 546 H LEU 71 H LEU 71 6.916 5.027 -7.513 547 HA LEU 71 HA LEU 71 7.533 3.539 -5.049 548 1HB LEU 71 2HB LEU 71 9.805 3.453 -5.955 549 2HB LEU 71 3HB LEU 71 8.627 2.844 -7.101 550 HG LEU 71 HG LEU 71 9.123 5.743 -7.477 551 1HD1 LEU 71 1HD1 LEU 71 11.357 5.193 -6.650 552 2HD1 LEU 71 2HD1 LEU 71 11.470 3.829 -7.787 553 3HD1 LEU 71 3HD1 LEU 71 11.399 5.498 -8.393 554 1HD2 LEU 71 1HD2 LEU 71 9.486 3.344 -9.325 555 2HD2 LEU 71 2HD2 LEU 71 7.976 4.256 -9.129 556 3HD2 LEU 71 3HD2 LEU 71 9.407 5.051 -9.806 557 H VAL 72 H VAL 72 9.802 4.467 -4.077 558 HA VAL 72 HA VAL 72 9.788 7.358 -3.774 559 HB VAL 72 HB VAL 72 7.962 6.743 -2.321 560 1HG1 VAL 72 1HG1 VAL 72 9.886 5.175 -0.565 561 2HG1 VAL 72 2HG1 VAL 72 8.150 5.422 -0.342 562 3HG1 VAL 72 3HG1 VAL 72 8.728 4.431 -1.688 563 1HG2 VAL 72 1HG2 VAL 72 10.405 7.629 -0.723 564 2HG2 VAL 72 2HG2 VAL 72 9.400 8.673 -1.748 565 3HG2 VAL 72 3HG2 VAL 72 8.706 7.917 -0.301 566 H LYS 73 H LYS 73 11.088 4.259 -2.379 567 HA LYS 73 HA LYS 73 13.617 5.480 -1.804 568 1HB LYS 73 2HB LYS 73 12.567 2.674 -1.894 569 2HB LYS 73 3HB LYS 73 14.278 2.877 -2.234 570 1HG LYS 73 2HG LYS 73 14.159 2.480 0.069 571 2HG LYS 73 3HG LYS 73 14.586 4.179 -0.152 572 1HD LYS 73 2HD LYS 73 12.094 4.714 0.229 573 2HD LYS 73 3HD LYS 73 11.895 3.004 0.680 574 1HE LYS 73 2HE LYS 73 13.848 3.423 2.362 575 2HE LYS 73 3HE LYS 73 13.631 5.146 2.004 576 1HZ LYS 73 1HZ LYS 73 11.205 4.704 2.741 577 2HZ LYS 73 2HZ LYS 73 11.688 3.304 3.276 578 3HZ LYS 73 3HZ LYS 73 12.368 4.646 3.923 579 H ILE 74 H ILE 74 15.479 5.392 -3.001 580 HA ILE 74 HA ILE 74 16.810 5.669 -4.755 581 HB ILE 74 HB ILE 74 14.779 4.406 -6.625 582 1HG1 ILE 74 2HG1 ILE 74 15.318 2.712 -4.969 583 2HG1 ILE 74 3HG1 ILE 74 16.136 2.358 -6.482 584 1HG2 ILE 74 1HG2 ILE 74 16.809 4.064 -8.028 585 2HG2 ILE 74 2HG2 ILE 74 16.397 5.766 -7.772 586 3HG2 ILE 74 3HG2 ILE 74 17.738 5.043 -6.870 587 1HD1 ILE 74 1HD1 ILE 74 17.431 3.574 -3.998 588 2HD1 ILE 74 2HD1 ILE 74 17.606 1.918 -4.589 589 3HD1 ILE 74 3HD1 ILE 74 18.268 3.256 -5.537 590 H GLU 75 H GLU 75 17.163 7.698 -5.447 591 HA GLU 75 HA GLU 75 15.071 9.389 -6.542 592 1HB GLU 75 2HB GLU 75 16.758 10.063 -4.075 593 2HB GLU 75 3HB GLU 75 15.661 11.159 -4.920 594 1HG GLU 75 2HG GLU 75 13.727 9.756 -4.254 595 2HG GLU 75 3HG GLU 75 14.808 8.625 -3.427 Start of MODEL 5 1 1H MET 1 H1 MET 1 11.512 -12.230 2.924 2 2H MET 1 H2 MET 1 12.437 -12.545 1.576 3 3H MET 1 H3 MET 1 10.816 -12.796 1.612 4 HA MET 1 HA MET 1 11.765 -14.909 1.681 5 1HB MET 1 2HB MET 1 13.406 -13.806 3.987 6 2HB MET 1 3HB MET 1 13.192 -15.533 3.650 7 1HG MET 1 2HG MET 1 14.073 -15.201 1.351 8 2HG MET 1 3HG MET 1 14.426 -13.510 1.744 9 1HE MET 1 1HE MET 1 16.490 -15.619 0.528 10 2HE MET 1 2HE MET 1 16.888 -13.915 0.866 11 3HE MET 1 3HE MET 1 17.941 -15.214 1.475 12 H GLY 2 H GLY 2 9.480 -14.966 1.886 13 1HA GLY 2 2HA GLY 2 7.432 -15.088 2.878 14 2HA GLY 2 1HA GLY 2 8.217 -15.803 4.296 15 H ASP 3 H ASP 3 8.884 -12.586 2.917 16 HA ASP 3 HA ASP 3 7.518 -10.811 4.454 17 1HB ASP 3 2HB ASP 3 8.308 -11.816 6.581 18 2HB ASP 3 3HB ASP 3 9.986 -11.714 6.020 19 H GLY 4 H GLY 4 8.526 -8.712 4.500 20 1HA GLY 4 2HA GLY 4 10.918 -7.783 3.582 21 2HA GLY 4 1HA GLY 4 10.013 -8.102 2.080 22 H VAL 5 H VAL 5 10.522 -5.463 2.465 23 HA VAL 5 HA VAL 5 7.901 -4.346 3.250 24 HB VAL 5 HB VAL 5 10.555 -3.003 3.915 25 1HG1 VAL 5 1HG1 VAL 5 7.681 -2.373 4.699 26 2HG1 VAL 5 2HG1 VAL 5 9.118 -1.548 5.330 27 3HG1 VAL 5 3HG1 VAL 5 8.720 -1.427 3.618 28 1HG2 VAL 5 1HG2 VAL 5 8.745 -4.645 5.736 29 2HG2 VAL 5 2HG2 VAL 5 10.458 -4.928 5.383 30 3HG2 VAL 5 3HG2 VAL 5 9.982 -3.513 6.324 31 H LEU 6 H LEU 6 7.219 -2.660 1.900 32 HA LEU 6 HA LEU 6 9.236 -1.481 0.119 33 1HB LEU 6 2HB LEU 6 8.171 -3.350 -1.166 34 2HB LEU 6 3HB LEU 6 6.618 -2.514 -1.036 35 HG LEU 6 HG LEU 6 8.860 -0.880 -2.119 36 1HD1 LEU 6 1HD1 LEU 6 8.674 -1.847 -4.367 37 2HD1 LEU 6 2HD1 LEU 6 9.338 -3.016 -3.210 38 3HD1 LEU 6 3HD1 LEU 6 7.643 -3.143 -3.724 39 1HD2 LEU 6 1HD2 LEU 6 6.490 -0.066 -1.949 40 2HD2 LEU 6 2HD2 LEU 6 7.101 -0.067 -3.609 41 3HD2 LEU 6 3HD2 LEU 6 6.002 -1.352 -3.068 42 H GLU 7 H GLU 7 8.935 0.645 -0.114 43 HA GLU 7 HA GLU 7 6.543 1.954 1.080 44 1HB GLU 7 2HB GLU 7 9.346 3.011 0.491 45 2HB GLU 7 3HB GLU 7 7.968 3.963 1.009 46 1HG GLU 7 2HG GLU 7 7.895 2.189 3.007 47 2HG GLU 7 3HG GLU 7 9.584 1.956 2.526 48 H LEU 8 H LEU 8 5.175 2.992 -0.250 49 HA LEU 8 HA LEU 8 6.161 3.917 -2.853 50 1HB LEU 8 2HB LEU 8 4.034 3.282 -3.902 51 2HB LEU 8 3HB LEU 8 5.045 1.901 -3.483 52 HG LEU 8 HG LEU 8 2.797 2.759 -1.652 53 1HD1 LEU 8 1HD1 LEU 8 1.906 2.425 -3.952 54 2HD1 LEU 8 2HD1 LEU 8 2.651 0.819 -3.988 55 3HD1 LEU 8 3HD1 LEU 8 1.341 1.172 -2.837 56 1HD2 LEU 8 1HD2 LEU 8 4.363 0.987 -0.743 57 2HD2 LEU 8 2HD2 LEU 8 2.762 0.359 -1.112 58 3HD2 LEU 8 3HD2 LEU 8 4.096 0.043 -2.221 59 H VAL 9 H VAL 9 5.535 5.888 -3.417 60 HA VAL 9 HA VAL 9 3.975 7.490 -1.484 61 HB VAL 9 HB VAL 9 5.591 8.109 -3.940 62 1HG1 VAL 9 1HG1 VAL 9 3.461 9.177 -4.529 63 2HG1 VAL 9 2HG1 VAL 9 3.333 9.869 -2.892 64 3HG1 VAL 9 3HG1 VAL 9 4.620 10.397 -3.988 65 1HG2 VAL 9 1HG2 VAL 9 6.432 9.871 -2.446 66 2HG2 VAL 9 2HG2 VAL 9 5.149 9.534 -1.268 67 3HG2 VAL 9 3HG2 VAL 9 6.436 8.336 -1.549 68 H VAL 10 H VAL 10 1.786 7.834 -1.810 69 HA VAL 10 HA VAL 10 0.623 6.825 -4.314 70 HB VAL 10 HB VAL 10 -1.102 5.623 -3.346 71 1HG1 VAL 10 1HG1 VAL 10 0.024 3.743 -2.346 72 2HG1 VAL 10 2HG1 VAL 10 1.179 4.474 -3.473 73 3HG1 VAL 10 3HG1 VAL 10 1.335 4.769 -1.736 74 1HG2 VAL 10 1HG2 VAL 10 -0.115 6.538 -0.652 75 2HG2 VAL 10 2HG2 VAL 10 -1.722 6.791 -1.436 76 3HG2 VAL 10 3HG2 VAL 10 -1.243 5.179 -0.893 77 H ARG 11 H ARG 11 -0.711 8.291 -5.182 78 HA ARG 11 HA ARG 11 -1.735 10.545 -3.454 79 1HB ARG 11 2HB ARG 11 -1.599 10.229 -6.424 80 2HB ARG 11 3HB ARG 11 -2.202 11.661 -5.603 81 1HG ARG 11 2HG ARG 11 -0.038 12.281 -4.820 82 2HG ARG 11 3HG ARG 11 0.688 10.720 -5.313 83 1HD ARG 11 2HD ARG 11 0.233 11.076 -7.607 84 2HD ARG 11 3HD ARG 11 -0.828 12.471 -7.283 85 HE ARG 11 HE ARG 11 1.779 13.088 -6.360 86 1HH1 ARG 11 2HH2 ARG 11 -0.037 12.341 -9.323 87 2HH1 ARG 11 1HH2 ARG 11 0.816 13.482 -10.322 88 1HH2 ARG 11 2HH1 ARG 11 3.004 14.558 -7.686 89 2HH2 ARG 11 1HH1 ARG 11 2.650 14.749 -9.371 90 H GLY 12 H GLY 12 -3.949 11.293 -4.621 91 1HA GLY 12 2HA GLY 12 -6.080 10.714 -5.376 92 2HA GLY 12 1HA GLY 12 -5.771 9.000 -5.111 93 H MET 13 H MET 13 -4.567 9.599 -2.386 94 HA MET 13 HA MET 13 -6.874 9.481 -0.722 95 1HB MET 13 2HB MET 13 -4.053 10.372 -0.078 96 2HB MET 13 3HB MET 13 -5.288 9.927 1.109 97 1HG MET 13 2HG MET 13 -5.335 7.622 0.075 98 2HG MET 13 3HG MET 13 -3.962 8.081 -0.930 99 1HE MET 13 1HE MET 13 -1.525 8.477 -0.019 100 2HE MET 13 2HE MET 13 -2.141 9.807 0.955 101 3HE MET 13 3HE MET 13 -1.121 8.546 1.701 102 H THR 14 H THR 14 -8.301 11.105 -0.291 103 HA THR 14 HA THR 14 -7.420 13.912 -0.130 104 HB THR 14 HB THR 14 -7.588 13.380 -2.545 105 HG1 THR 14 1HG THR 14 -8.900 15.169 -3.020 106 1HG2 THR 14 1HG2 THR 14 -9.649 12.939 -3.656 107 2HG2 THR 14 2HG2 THR 14 -9.493 11.712 -2.392 108 3HG2 THR 14 3HG2 THR 14 -10.594 13.083 -2.168 109 H CYS 15 H CYS 15 -8.351 12.389 1.923 110 HA CYS 15 HA CYS 15 -10.506 14.032 2.805 111 1HB CYS 15 2HB CYS 15 -12.009 12.600 1.545 112 2HB CYS 15 3HB CYS 15 -11.274 11.136 2.213 113 HG CYS 15 HG CYS 15 -12.807 13.607 3.795 114 H ALA 16 H ALA 16 -10.174 10.683 3.842 115 HA ALA 16 HA ALA 16 -8.223 11.007 5.909 116 1HB ALA 16 1HB ALA 16 -9.867 12.432 7.034 117 2HB ALA 16 2HB ALA 16 -11.165 11.262 6.722 118 3HB ALA 16 3HB ALA 16 -9.844 10.849 7.831 119 H SER 17 H SER 17 -11.456 9.541 5.549 120 HA SER 17 HA SER 17 -11.076 6.945 6.336 121 1HB SER 17 2HB SER 17 -13.238 7.735 5.633 122 2HB SER 17 3HB SER 17 -12.694 7.942 3.951 123 HG SER 17 HG SER 17 -13.860 5.935 4.486 124 H CYS 18 H CYS 18 -10.270 8.240 3.138 125 HA CYS 18 HA CYS 18 -9.157 6.359 1.583 126 1HB CYS 18 2HB CYS 18 -8.018 9.039 2.411 127 2HB CYS 18 3HB CYS 18 -7.231 7.994 1.219 128 HG CYS 18 HG CYS 18 -10.359 9.051 1.155 129 H VAL 19 H VAL 19 -7.485 7.435 4.588 130 HA VAL 19 HA VAL 19 -5.163 5.814 4.333 131 HB VAL 19 HB VAL 19 -6.717 6.806 6.763 132 1HG1 VAL 19 1HG1 VAL 19 -4.689 6.453 8.073 133 2HG1 VAL 19 2HG1 VAL 19 -5.231 4.905 7.422 134 3HG1 VAL 19 3HG1 VAL 19 -3.869 5.760 6.671 135 1HG2 VAL 19 1HG2 VAL 19 -4.942 8.535 6.834 136 2HG2 VAL 19 2HG2 VAL 19 -4.214 7.864 5.362 137 3HG2 VAL 19 3HG2 VAL 19 -5.820 8.615 5.302 138 H HIS 20 H HIS 20 -8.257 5.078 6.111 139 HA HIS 20 HA HIS 20 -7.355 2.367 6.635 140 1HB HIS 20 2HB HIS 20 -8.837 2.467 8.248 141 2HB HIS 20 3HB HIS 20 -9.227 4.118 7.794 142 HD1 HIS 20 1HD HIS 20 -10.840 0.881 8.261 143 HD2 HIS 20 2HD HIS 20 -11.181 4.012 5.507 144 HE1 HIS 20 1HE HIS 20 -13.175 0.728 7.236 145 H LYS 21 H LYS 21 -9.197 4.033 4.183 146 HA LYS 21 HA LYS 21 -10.642 1.974 2.952 147 1HB LYS 21 2HB LYS 21 -10.258 4.580 2.479 148 2HB LYS 21 3HB LYS 21 -9.125 3.996 1.278 149 1HG LYS 21 2HG LYS 21 -12.083 3.276 1.412 150 2HG LYS 21 3HG LYS 21 -11.364 4.550 0.422 151 1HD LYS 21 2HD LYS 21 -9.834 2.631 -0.544 152 2HD LYS 21 3HD LYS 21 -11.023 1.548 0.178 153 1HE LYS 21 2HE LYS 21 -11.815 1.798 -2.033 154 2HE LYS 21 3HE LYS 21 -12.824 2.906 -1.102 155 1HZ LYS 21 1HZ LYS 21 -11.223 4.680 -1.856 156 2HZ LYS 21 2HZ LYS 21 -10.535 3.572 -2.867 157 3HZ LYS 21 3HZ LYS 21 -12.089 3.977 -3.062 158 H ILE 22 H ILE 22 -7.255 2.956 2.715 159 HA ILE 22 HA ILE 22 -6.452 0.890 0.787 160 HB ILE 22 HB ILE 22 -4.998 2.904 2.532 161 1HG1 ILE 22 2HG1 ILE 22 -5.209 2.724 -0.456 162 2HG1 ILE 22 3HG1 ILE 22 -6.276 3.704 0.589 163 1HG2 ILE 22 1HG2 ILE 22 -3.813 0.981 0.510 164 2HG2 ILE 22 2HG2 ILE 22 -2.933 2.280 1.351 165 3HG2 ILE 22 3HG2 ILE 22 -3.548 0.912 2.271 166 1HD1 ILE 22 1HD1 ILE 22 -4.390 5.015 1.356 167 2HD1 ILE 22 2HD1 ILE 22 -3.314 4.148 0.214 168 3HD1 ILE 22 3HD1 ILE 22 -4.642 5.139 -0.394 169 H GLU 23 H GLU 23 -5.626 1.699 4.154 170 HA GLU 23 HA GLU 23 -4.129 -0.487 4.686 171 1HB GLU 23 2HB GLU 23 -4.993 1.748 6.066 172 2HB GLU 23 3HB GLU 23 -5.746 0.501 7.036 173 1HG GLU 23 2HG GLU 23 -3.539 -0.443 7.514 174 2HG GLU 23 3HG GLU 23 -2.815 0.489 6.173 175 H SER 24 H SER 24 -7.559 -0.201 5.451 176 HA SER 24 HA SER 24 -7.808 -2.789 6.699 177 1HB SER 24 2HB SER 24 -10.116 -1.180 5.567 178 2HB SER 24 3HB SER 24 -10.103 -2.288 6.949 179 HG SER 24 HG SER 24 -8.952 0.285 6.699 180 H SER 25 H SER 25 -7.787 -1.755 3.390 181 HA SER 25 HA SER 25 -9.384 -4.065 2.447 182 1HB SER 25 2HB SER 25 -9.649 -1.762 1.515 183 2HB SER 25 3HB SER 25 -8.019 -1.878 0.846 184 HG SER 25 HG SER 25 -9.416 -2.560 -0.718 185 H LEU 26 H LEU 26 -6.026 -2.679 2.270 186 HA LEU 26 HA LEU 26 -5.016 -4.888 0.829 187 1HB LEU 26 2HB LEU 26 -3.764 -2.674 2.391 188 2HB LEU 26 3HB LEU 26 -2.779 -4.095 2.016 189 HG LEU 26 HG LEU 26 -2.462 -2.424 0.411 190 1HD1 LEU 26 1HD1 LEU 26 -3.922 -4.686 -1.005 191 2HD1 LEU 26 2HD1 LEU 26 -2.592 -3.700 -1.594 192 3HD1 LEU 26 3HD1 LEU 26 -2.318 -4.833 -0.257 193 1HD2 LEU 26 1HD2 LEU 26 -5.425 -2.749 -0.336 194 2HD2 LEU 26 2HD2 LEU 26 -4.681 -1.307 0.387 195 3HD2 LEU 26 3HD2 LEU 26 -4.255 -1.813 -1.260 196 H THR 27 H THR 27 -5.455 -4.472 4.378 197 HA THR 27 HA THR 27 -3.959 -6.744 5.097 198 HB THR 27 HB THR 27 -5.617 -6.790 7.067 199 HG1 THR 27 1HG THR 27 -6.938 -4.917 7.143 200 1HG2 THR 27 1HG2 THR 27 -3.461 -5.617 7.231 201 2HG2 THR 27 2HG2 THR 27 -4.164 -4.177 6.471 202 3HG2 THR 27 3HG2 THR 27 -4.735 -4.710 8.057 203 H LYS 28 H LYS 28 -6.939 -6.696 3.265 204 HA LYS 28 HA LYS 28 -7.924 -9.294 4.055 205 1HB LYS 28 2HB LYS 28 -8.110 -7.951 1.358 206 2HB LYS 28 3HB LYS 28 -9.150 -9.247 1.951 207 1HG LYS 28 2HG LYS 28 -10.076 -7.799 3.707 208 2HG LYS 28 3HG LYS 28 -9.049 -6.470 3.231 209 1HD LYS 28 2HD LYS 28 -11.445 -7.603 1.802 210 2HD LYS 28 3HD LYS 28 -11.096 -5.945 2.300 211 1HE LYS 28 2HE LYS 28 -9.086 -6.299 0.435 212 2HE LYS 28 3HE LYS 28 -10.254 -7.472 -0.161 213 1HZ LYS 28 1HZ LYS 28 -10.450 -4.558 0.140 214 2HZ LYS 28 2HZ LYS 28 -10.606 -5.453 -1.210 215 3HZ LYS 28 3HZ LYS 28 -11.821 -5.480 -0.095 216 H HIS 29 H HIS 29 -5.305 -8.152 1.933 217 HA HIS 29 HA HIS 29 -4.991 -10.697 0.521 218 1HB HIS 29 2HB HIS 29 -3.123 -8.307 0.765 219 2HB HIS 29 3HB HIS 29 -2.939 -9.715 -0.291 220 HD1 HIS 29 1HD HIS 29 -3.470 -9.057 -2.740 221 HD2 HIS 29 2HD HIS 29 -5.572 -6.825 0.161 222 HE1 HIS 29 1HE HIS 29 -4.861 -7.426 -3.962 223 H ARG 30 H ARG 30 -4.463 -12.376 1.862 224 HA ARG 30 HA ARG 30 -3.402 -12.281 4.377 225 1HB ARG 30 2HB ARG 30 -2.926 -14.517 2.373 226 2HB ARG 30 3HB ARG 30 -2.797 -14.633 4.135 227 1HG ARG 30 2HG ARG 30 -5.240 -13.887 4.270 228 2HG ARG 30 3HG ARG 30 -5.343 -14.143 2.522 229 1HD ARG 30 2HD ARG 30 -4.601 -16.190 4.645 230 2HD ARG 30 3HD ARG 30 -6.130 -16.118 3.737 231 HE ARG 30 HE ARG 30 -4.140 -16.268 1.797 232 1HH1 ARG 30 2HH2 ARG 30 -5.251 -18.284 4.456 233 2HH1 ARG 30 1HH2 ARG 30 -4.681 -19.784 3.792 234 1HH2 ARG 30 2HH1 ARG 30 -3.347 -18.235 0.866 235 2HH2 ARG 30 1HH1 ARG 30 -3.585 -19.746 1.678 236 H GLY 31 H GLY 31 -1.472 -11.953 1.455 237 1HA GLY 31 2HA GLY 31 1.085 -12.630 2.575 238 2HA GLY 31 1HA GLY 31 0.777 -11.660 1.135 239 H ILE 32 H ILE 32 -0.971 -9.769 2.993 240 HA ILE 32 HA ILE 32 1.170 -7.968 3.710 241 HB ILE 32 HB ILE 32 -1.809 -8.005 3.995 242 1HG1 ILE 32 2HG1 ILE 32 -1.734 -5.793 3.246 243 2HG1 ILE 32 3HG1 ILE 32 -0.019 -5.628 3.604 244 1HG2 ILE 32 1HG2 ILE 32 -1.842 -6.107 5.578 245 2HG2 ILE 32 2HG2 ILE 32 -1.341 -7.593 6.359 246 3HG2 ILE 32 3HG2 ILE 32 -0.133 -6.361 5.906 247 1HD1 ILE 32 1HD1 ILE 32 -1.191 -7.461 1.487 248 2HD1 ILE 32 2HD1 ILE 32 -0.576 -5.817 1.188 249 3HD1 ILE 32 3HD1 ILE 32 0.536 -7.091 1.724 250 H LEU 33 H LEU 33 2.453 -8.061 5.340 251 HA LEU 33 HA LEU 33 1.846 -9.630 7.768 252 1HB LEU 33 2HB LEU 33 4.118 -9.735 6.827 253 2HB LEU 33 3HB LEU 33 4.262 -7.980 6.912 254 HG LEU 33 HG LEU 33 4.131 -8.051 9.378 255 1HD1 LEU 33 1HD1 LEU 33 4.375 -10.298 10.497 256 2HD1 LEU 33 2HD1 LEU 33 2.787 -10.058 9.755 257 3HD1 LEU 33 3HD1 LEU 33 4.001 -11.069 8.938 258 1HD2 LEU 33 1HD2 LEU 33 6.355 -9.074 9.701 259 2HD2 LEU 33 2HD2 LEU 33 6.196 -9.924 8.147 260 3HD2 LEU 33 3HD2 LEU 33 6.293 -8.154 8.184 261 H TYR 34 H TYR 34 2.399 -6.275 6.563 262 HA TYR 34 HA TYR 34 0.480 -5.191 8.493 263 1HB TYR 34 2HB TYR 34 2.441 -5.466 9.941 264 2HB TYR 34 3HB TYR 34 3.462 -4.669 8.764 265 HD1 TYR 34 HD1 TYR 34 3.563 -2.268 8.588 266 HD2 TYR 34 HD2 TYR 34 0.646 -4.118 11.140 267 HE1 TYR 34 HE1 TYR 34 3.500 -0.212 9.991 268 HE2 TYR 34 HE2 TYR 34 0.405 -1.983 12.404 269 HH TYR 34 HH TYR 34 2.284 0.940 11.604 270 H CYS 35 H CYS 35 -0.613 -3.763 7.133 271 HA CYS 35 HA CYS 35 0.864 -2.159 5.142 272 1HB CYS 35 2HB CYS 35 -1.919 -1.448 5.992 273 2HB CYS 35 3HB CYS 35 -1.139 -1.248 4.438 274 HG CYS 35 HG CYS 35 -3.270 -2.891 4.547 275 H SER 36 H SER 36 0.941 0.210 5.345 276 HA SER 36 HA SER 36 -0.074 1.525 7.732 277 1HB SER 36 2HB SER 36 1.721 0.905 8.940 278 2HB SER 36 3HB SER 36 2.782 0.720 7.529 279 HG SER 36 HG SER 36 2.762 3.056 7.418 280 H VAL 37 H VAL 37 -1.210 2.851 6.208 281 HA VAL 37 HA VAL 37 0.541 4.532 4.513 282 HB VAL 37 HB VAL 37 -1.083 3.224 3.285 283 1HG1 VAL 37 1HG1 VAL 37 -3.581 3.783 3.779 284 2HG1 VAL 37 2HG1 VAL 37 -2.767 2.535 4.731 285 3HG1 VAL 37 3HG1 VAL 37 -3.024 4.155 5.401 286 1HG2 VAL 37 1HG2 VAL 37 -2.212 6.020 3.495 287 2HG2 VAL 37 2HG2 VAL 37 -0.744 5.584 2.570 288 3HG2 VAL 37 3HG2 VAL 37 -2.294 4.871 2.139 289 H ALA 38 H ALA 38 0.395 6.725 4.466 290 HA ALA 38 HA ALA 38 -1.332 8.024 6.492 291 1HB ALA 38 1HB ALA 38 0.488 9.461 7.230 292 2HB ALA 38 2HB ALA 38 0.814 7.759 7.651 293 3HB ALA 38 3HB ALA 38 1.660 8.515 6.275 294 H LEU 39 H LEU 39 -2.150 9.863 5.808 295 HA LEU 39 HA LEU 39 -1.875 10.470 3.002 296 1HB LEU 39 2HB LEU 39 -3.734 11.864 3.174 297 2HB LEU 39 3HB LEU 39 -4.021 10.448 4.171 298 HG LEU 39 HG LEU 39 -3.122 12.067 6.129 299 1HD1 LEU 39 1HD1 LEU 39 -3.892 14.386 5.764 300 2HD1 LEU 39 2HD1 LEU 39 -2.666 14.013 4.548 301 3HD1 LEU 39 3HD1 LEU 39 -4.375 13.995 4.103 302 1HD2 LEU 39 1HD2 LEU 39 -5.484 12.692 6.551 303 2HD2 LEU 39 2HD2 LEU 39 -5.908 12.189 4.901 304 3HD2 LEU 39 3HD2 LEU 39 -5.325 10.993 6.080 305 H ALA 40 H ALA 40 -0.844 12.052 5.998 306 HA ALA 40 HA ALA 40 0.018 14.515 4.925 307 1HB ALA 40 1HB ALA 40 -0.144 14.058 7.340 308 2HB ALA 40 2HB ALA 40 1.200 12.896 7.229 309 3HB ALA 40 3HB ALA 40 1.484 14.621 6.910 310 H THR 41 H THR 41 1.824 11.398 5.310 311 HA THR 41 HA THR 41 4.166 12.341 3.981 312 HB THR 41 HB THR 41 3.344 9.447 4.288 313 HG1 THR 41 1HG THR 41 3.997 9.679 6.530 314 1HG2 THR 41 1HG2 THR 41 5.649 10.076 3.465 315 2HG2 THR 41 2HG2 THR 41 5.930 10.940 4.984 316 3HG2 THR 41 3HG2 THR 41 5.700 9.181 4.995 317 H ASN 42 H ASN 42 1.067 11.400 2.827 318 HA ASN 42 HA ASN 42 0.253 10.588 0.877 319 1HB ASN 42 2HB ASN 42 2.238 12.652 0.245 320 2HB ASN 42 3HB ASN 42 2.238 11.463 -1.044 321 1HD2 ASN 42 1HD2 ASN 42 -0.277 10.651 -1.451 322 2HD2 ASN 42 2HD2 ASN 42 -1.316 12.044 -1.733 323 H LYS 43 H LYS 43 1.637 8.747 2.422 324 HA LYS 43 HA LYS 43 2.992 7.089 0.367 325 1HB LYS 43 2HB LYS 43 4.669 8.427 1.750 326 2HB LYS 43 3HB LYS 43 4.111 7.479 3.145 327 1HG LYS 43 2HG LYS 43 4.638 5.404 1.581 328 2HG LYS 43 3HG LYS 43 5.581 6.552 0.642 329 1HD LYS 43 2HD LYS 43 5.906 6.020 3.645 330 2HD LYS 43 3HD LYS 43 6.753 5.137 2.390 331 1HE LYS 43 2HE LYS 43 7.752 7.342 1.575 332 2HE LYS 43 3HE LYS 43 7.005 8.114 2.976 333 1HZ LYS 43 1HZ LYS 43 9.263 6.255 2.862 334 2HZ LYS 43 2HZ LYS 43 9.027 7.572 3.841 335 3HZ LYS 43 3HZ LYS 43 8.326 6.069 4.116 336 H ALA 44 H ALA 44 2.599 5.005 0.437 337 HA ALA 44 HA ALA 44 1.370 3.758 2.855 338 1HB ALA 44 1HB ALA 44 1.229 2.819 -0.023 339 2HB ALA 44 2HB ALA 44 0.599 1.975 1.403 340 3HB ALA 44 3HB ALA 44 -0.112 3.522 0.901 341 H HIS 45 H HIS 45 2.849 2.608 3.997 342 HA HIS 45 HA HIS 45 4.887 1.195 2.343 343 1HB HIS 45 2HB HIS 45 6.330 0.905 3.993 344 2HB HIS 45 3HB HIS 45 5.825 2.565 4.298 345 HD1 HIS 45 1HD HIS 45 5.668 2.889 6.826 346 HD2 HIS 45 2HD HIS 45 4.980 -1.069 5.582 347 HE1 HIS 45 1HE HIS 45 5.656 1.459 8.925 348 H ILE 46 H ILE 46 4.875 -1.019 2.439 349 HA ILE 46 HA ILE 46 2.917 -2.233 4.288 350 HB ILE 46 HB ILE 46 3.204 -3.170 1.400 351 1HG1 ILE 46 2HG1 ILE 46 0.627 -2.700 1.494 352 2HG1 ILE 46 3HG1 ILE 46 1.016 -1.547 2.767 353 1HG2 ILE 46 1HG2 ILE 46 1.335 -3.969 3.657 354 2HG2 ILE 46 2HG2 ILE 46 1.416 -4.708 2.032 355 3HG2 ILE 46 3HG2 ILE 46 2.730 -4.926 3.170 356 1HD1 ILE 46 1HD1 ILE 46 0.805 -0.573 0.460 357 2HD1 ILE 46 2HD1 ILE 46 2.417 -0.283 1.128 358 3HD1 ILE 46 3HD1 ILE 46 2.171 -1.582 -0.059 359 H LYS 47 H LYS 47 3.691 -3.941 5.299 360 HA LYS 47 HA LYS 47 6.333 -5.075 4.600 361 1HB LYS 47 2HB LYS 47 4.709 -5.569 7.109 362 2HB LYS 47 3HB LYS 47 6.372 -6.053 6.747 363 1HG LYS 47 2HG LYS 47 6.907 -3.549 6.552 364 2HG LYS 47 3HG LYS 47 5.288 -3.243 7.211 365 1HD LYS 47 2HD LYS 47 5.872 -4.621 9.220 366 2HD LYS 47 3HD LYS 47 7.438 -4.987 8.501 367 1HE LYS 47 2HE LYS 47 7.753 -3.244 10.152 368 2HE LYS 47 3HE LYS 47 8.080 -2.592 8.539 369 1HZ LYS 47 1HZ LYS 47 6.743 -1.140 9.967 370 2HZ LYS 47 2HZ LYS 47 5.949 -1.482 8.583 371 3HZ LYS 47 3HZ LYS 47 5.526 -2.240 9.987 372 H TYR 48 H TYR 48 6.211 -7.064 3.551 373 HA TYR 48 HA TYR 48 4.027 -8.855 3.792 374 1HB TYR 48 2HB TYR 48 3.070 -8.589 1.539 375 2HB TYR 48 3HB TYR 48 2.864 -7.101 2.435 376 HD1 TYR 48 HD1 TYR 48 4.552 -5.189 2.011 377 HD2 TYR 48 HD2 TYR 48 4.386 -8.647 -0.486 378 HE1 TYR 48 HE1 TYR 48 5.512 -3.878 0.187 379 HE2 TYR 48 HE2 TYR 48 5.339 -7.346 -2.364 380 HH TYR 48 HH TYR 48 6.243 -5.364 -3.011 381 H ASP 49 H ASP 49 4.357 -10.645 1.854 382 HA ASP 49 HA ASP 49 7.263 -10.976 1.541 383 1HB ASP 49 2HB ASP 49 5.935 -13.038 0.192 384 2HB ASP 49 3HB ASP 49 6.752 -13.086 1.739 385 HA PRO 50 HA PRO 50 6.576 -9.181 -2.641 386 1HB PRO 50 2HB PRO 50 9.099 -8.449 -3.279 387 2HB PRO 50 3HB PRO 50 8.185 -7.588 -2.011 388 1HG PRO 50 2HG PRO 50 10.161 -9.861 -1.598 389 2HG PRO 50 3HG PRO 50 10.192 -8.243 -0.832 390 1HD PRO 50 2HD PRO 50 9.053 -10.366 0.411 391 2HD PRO 50 3HD PRO 50 8.325 -8.735 0.498 392 H GLU 51 H GLU 51 6.229 -11.784 -2.417 393 HA GLU 51 HA GLU 51 8.144 -13.305 -4.113 394 1HB GLU 51 2HB GLU 51 7.215 -14.058 -1.294 395 2HB GLU 51 3HB GLU 51 8.268 -15.007 -2.328 396 1HG GLU 51 2HG GLU 51 10.081 -13.487 -2.049 397 2HG GLU 51 3HG GLU 51 9.058 -12.209 -1.395 398 H ILE 52 H ILE 52 5.260 -13.640 -1.988 399 HA ILE 52 HA ILE 52 3.949 -15.360 -4.012 400 HB ILE 52 HB ILE 52 2.264 -15.605 -2.084 401 1HG1 ILE 52 2HG1 ILE 52 4.606 -15.017 -0.277 402 2HG1 ILE 52 3HG1 ILE 52 3.432 -13.763 -0.652 403 1HG2 ILE 52 1HG2 ILE 52 5.078 -16.778 -1.918 404 2HG2 ILE 52 2HG2 ILE 52 3.629 -17.496 -1.190 405 3HG2 ILE 52 3HG2 ILE 52 3.760 -17.379 -2.945 406 1HD1 ILE 52 1HD1 ILE 52 2.716 -14.882 1.387 407 2HD1 ILE 52 2HD1 ILE 52 1.570 -15.240 0.098 408 3HD1 ILE 52 3HD1 ILE 52 2.764 -16.459 0.599 409 H ILE 53 H ILE 53 3.017 -12.595 -1.978 410 HA ILE 53 HA ILE 53 0.697 -12.016 -3.653 411 HB ILE 53 HB ILE 53 0.503 -11.555 -1.330 412 1HG1 ILE 53 2HG1 ILE 53 0.785 -8.923 -2.868 413 2HG1 ILE 53 3HG1 ILE 53 -0.556 -10.067 -2.936 414 1HG2 ILE 53 1HG2 ILE 53 1.807 -9.961 -0.053 415 2HG2 ILE 53 2HG2 ILE 53 2.914 -11.135 -0.727 416 3HG2 ILE 53 3HG2 ILE 53 2.737 -9.525 -1.482 417 1HD1 ILE 53 1HD1 ILE 53 -1.227 -8.331 -1.429 418 2HD1 ILE 53 2HD1 ILE 53 -0.760 -9.700 -0.379 419 3HD1 ILE 53 3HD1 ILE 53 0.337 -8.328 -0.604 420 H GLY 54 H GLY 54 3.792 -10.452 -2.925 421 1HA GLY 54 2HA GLY 54 5.301 -9.516 -4.387 422 2HA GLY 54 1HA GLY 54 4.205 -9.774 -5.744 423 HA PRO 55 HA PRO 55 4.243 -5.140 -4.332 424 1HB PRO 55 2HB PRO 55 5.568 -4.213 -6.573 425 2HB PRO 55 3HB PRO 55 6.337 -4.591 -5.015 426 1HG PRO 55 2HG PRO 55 6.191 -6.333 -7.474 427 2HG PRO 55 3HG PRO 55 7.601 -6.026 -6.423 428 1HD PRO 55 2HD PRO 55 6.116 -8.283 -6.171 429 2HD PRO 55 3HD PRO 55 6.736 -7.470 -4.713 430 H ARG 56 H ARG 56 3.925 -6.914 -7.443 431 HA ARG 56 HA ARG 56 2.456 -4.974 -8.782 432 1HB ARG 56 2HB ARG 56 3.549 -6.861 -9.905 433 2HB ARG 56 3HB ARG 56 2.332 -7.984 -9.250 434 1HG ARG 56 2HG ARG 56 0.540 -6.788 -10.406 435 2HG ARG 56 3HG ARG 56 1.671 -5.508 -10.895 436 1HD ARG 56 2HD ARG 56 2.851 -7.106 -12.341 437 2HD ARG 56 3HD ARG 56 1.683 -8.379 -11.888 438 HE ARG 56 HE ARG 56 0.056 -6.299 -12.652 439 1HH1 ARG 56 2HH2 ARG 56 2.594 -8.021 -14.387 440 2HH1 ARG 56 1HH2 ARG 56 2.094 -7.448 -15.953 441 1HH2 ARG 56 2HH1 ARG 56 -0.564 -5.509 -14.513 442 2HH2 ARG 56 1HH1 ARG 56 0.146 -5.965 -16.054 443 H ASP 57 H ASP 57 1.116 -7.825 -7.006 444 HA ASP 57 HA ASP 57 -1.598 -7.414 -7.615 445 1HB ASP 57 2HB ASP 57 -0.771 -9.447 -6.513 446 2HB ASP 57 3HB ASP 57 -0.297 -8.516 -5.083 447 H ILE 58 H ILE 58 0.377 -6.188 -4.948 448 HA ILE 58 HA ILE 58 -1.548 -4.509 -3.704 449 HB ILE 58 HB ILE 58 1.481 -4.318 -3.824 450 1HG1 ILE 58 2HG1 ILE 58 -0.478 -5.422 -1.760 451 2HG1 ILE 58 3HG1 ILE 58 0.567 -6.376 -2.815 452 1HG2 ILE 58 1HG2 ILE 58 -0.442 -2.821 -2.000 453 2HG2 ILE 58 2HG2 ILE 58 1.333 -2.797 -1.923 454 3HG2 ILE 58 3HG2 ILE 58 0.521 -2.098 -3.309 455 1HD1 ILE 58 1HD1 ILE 58 1.584 -6.326 -0.684 456 2HD1 ILE 58 2HD1 ILE 58 2.561 -5.300 -1.754 457 3HD1 ILE 58 3HD1 ILE 58 1.457 -4.568 -0.556 458 H ILE 59 H ILE 59 0.950 -3.343 -6.146 459 HA ILE 59 HA ILE 59 -0.537 -0.911 -6.143 460 HB ILE 59 HB ILE 59 0.706 -0.166 -8.134 461 1HG1 ILE 59 2HG1 ILE 59 2.899 -1.351 -8.484 462 2HG1 ILE 59 3HG1 ILE 59 2.173 -2.798 -7.784 463 1HG2 ILE 59 1HG2 ILE 59 2.645 0.286 -6.806 464 2HG2 ILE 59 2HG2 ILE 59 1.216 0.287 -5.768 465 3HG2 ILE 59 3HG2 ILE 59 2.314 -1.114 -5.747 466 1HD1 ILE 59 1HD1 ILE 59 1.146 -1.294 -10.240 467 2HD1 ILE 59 2HD1 ILE 59 2.133 -2.767 -10.282 468 3HD1 ILE 59 3HD1 ILE 59 0.497 -2.825 -9.614 469 H HIS 60 H HIS 60 -1.186 -3.746 -7.987 470 HA HIS 60 HA HIS 60 -2.960 -2.498 -9.940 471 1HB HIS 60 2HB HIS 60 -2.438 -5.286 -8.948 472 2HB HIS 60 3HB HIS 60 -4.061 -4.964 -9.524 473 HD1 HIS 60 1HD HIS 60 -4.445 -5.282 -12.000 474 HD2 HIS 60 2HD HIS 60 -0.450 -4.511 -10.959 475 HE1 HIS 60 1HE HIS 60 -3.067 -5.625 -14.119 476 H THR 61 H THR 61 -3.464 -4.072 -6.748 477 HA THR 61 HA THR 61 -6.237 -3.504 -6.581 478 HB THR 61 HB THR 61 -4.187 -3.785 -4.332 479 HG1 THR 61 1HG THR 61 -4.191 -5.596 -5.623 480 1HG2 THR 61 1HG2 THR 61 -7.219 -4.156 -4.368 481 2HG2 THR 61 2HG2 THR 61 -6.138 -4.494 -3.003 482 3HG2 THR 61 3HG2 THR 61 -6.360 -2.831 -3.549 483 H ILE 62 H ILE 62 -3.410 -1.670 -5.372 484 HA ILE 62 HA ILE 62 -4.806 0.415 -4.108 485 HB ILE 62 HB ILE 62 -2.098 0.363 -5.447 486 1HG1 ILE 62 2HG1 ILE 62 -2.698 -1.305 -3.436 487 2HG1 ILE 62 3HG1 ILE 62 -1.161 -0.424 -3.469 488 1HG2 ILE 62 1HG2 ILE 62 -1.512 2.223 -3.854 489 2HG2 ILE 62 2HG2 ILE 62 -2.600 2.661 -5.172 490 3HG2 ILE 62 3HG2 ILE 62 -3.249 2.412 -3.537 491 1HD1 ILE 62 1HD1 ILE 62 -2.302 -0.493 -1.311 492 2HD1 ILE 62 2HD1 ILE 62 -2.050 1.169 -1.868 493 3HD1 ILE 62 3HD1 ILE 62 -3.671 0.418 -2.018 494 H GLU 63 H GLU 63 -3.498 0.291 -7.504 495 HA GLU 63 HA GLU 63 -4.458 2.692 -8.502 496 1HB GLU 63 2HB GLU 63 -2.948 1.173 -9.601 497 2HB GLU 63 3HB GLU 63 -4.153 -0.099 -9.709 498 1HG GLU 63 2HG GLU 63 -4.596 2.588 -11.014 499 2HG GLU 63 3HG GLU 63 -3.622 1.301 -11.756 500 H SER 64 H SER 64 -6.033 -0.493 -8.634 501 HA SER 64 HA SER 64 -8.465 0.454 -9.716 502 1HB SER 64 2HB SER 64 -7.705 -1.851 -9.864 503 2HB SER 64 3HB SER 64 -7.979 -2.080 -8.121 504 HG SER 64 HG SER 64 -10.237 -1.213 -8.836 505 H LEU 65 H LEU 65 -7.401 0.371 -6.399 506 HA LEU 65 HA LEU 65 -10.020 0.730 -5.192 507 1HB LEU 65 2HB LEU 65 -8.021 -0.522 -4.258 508 2HB LEU 65 3HB LEU 65 -7.245 1.047 -4.012 509 HG LEU 65 HG LEU 65 -9.200 1.578 -2.458 510 1HD1 LEU 65 1HD1 LEU 65 -10.470 -0.392 -1.587 511 2HD1 LEU 65 2HD1 LEU 65 -10.860 -0.081 -3.285 512 3HD1 LEU 65 3HD1 LEU 65 -9.758 -1.403 -2.858 513 1HD2 LEU 65 1HD2 LEU 65 -7.468 -0.870 -1.874 514 2HD2 LEU 65 2HD2 LEU 65 -6.982 0.824 -1.662 515 3HD2 LEU 65 3HD2 LEU 65 -8.274 0.139 -0.663 516 H GLY 66 H GLY 66 -7.959 2.802 -6.902 517 1HA GLY 66 2HA GLY 66 -8.759 4.858 -7.584 518 2HA GLY 66 1HA GLY 66 -9.638 5.087 -6.070 519 H PHE 67 H PHE 67 -6.180 4.334 -6.848 520 HA PHE 67 HA PHE 67 -5.324 6.892 -5.634 521 1HB PHE 67 2HB PHE 67 -4.344 4.138 -4.811 522 2HB PHE 67 3HB PHE 67 -3.656 5.655 -4.241 523 HD1 PHE 67 1HD PHE 67 -5.479 7.339 -3.233 524 HD2 PHE 67 2HD PHE 67 -5.963 3.075 -3.428 525 HE1 PHE 67 1HE PHE 67 -7.381 7.484 -1.654 526 HE2 PHE 67 2HE PHE 67 -7.708 3.199 -1.672 527 HZ PHE 67 HZ PHE 67 -8.434 5.430 -0.791 528 H GLU 68 H GLU 68 -3.004 7.333 -6.097 529 HA GLU 68 HA GLU 68 -2.098 5.992 -8.627 530 1HB GLU 68 2HB GLU 68 -1.017 8.679 -7.764 531 2HB GLU 68 3HB GLU 68 -1.090 7.993 -9.358 532 1HG GLU 68 2HG GLU 68 -3.339 8.715 -9.659 533 2HG GLU 68 3HG GLU 68 -3.588 8.952 -7.928 534 HA PRO 69 HA PRO 69 1.039 4.910 -5.592 535 1HB PRO 69 2HB PRO 69 1.546 2.366 -6.280 536 2HB PRO 69 3HB PRO 69 0.093 2.828 -5.338 537 1HG PRO 69 2HG PRO 69 0.283 2.246 -8.291 538 2HG PRO 69 3HG PRO 69 -0.956 1.681 -7.133 539 1HD PRO 69 2HD PRO 69 -1.263 3.891 -8.797 540 2HD PRO 69 3HD PRO 69 -2.049 3.766 -7.199 541 H SER 70 H SER 70 3.144 5.289 -5.779 542 HA SER 70 HA SER 70 4.666 4.468 -8.195 543 1HB SER 70 2HB SER 70 4.969 7.081 -6.693 544 2HB SER 70 3HB SER 70 5.959 6.541 -8.059 545 HG SER 70 HG SER 70 4.224 8.003 -8.658 546 H LEU 71 H LEU 71 6.111 3.040 -7.436 547 HA LEU 71 HA LEU 71 6.759 2.652 -4.692 548 1HB LEU 71 2HB LEU 71 8.356 1.094 -5.341 549 2HB LEU 71 3HB LEU 71 6.980 0.904 -6.425 550 HG LEU 71 HG LEU 71 9.648 2.253 -7.087 551 1HD1 LEU 71 1HD1 LEU 71 8.482 -0.422 -7.948 552 2HD1 LEU 71 2HD1 LEU 71 10.036 0.264 -8.467 553 3HD1 LEU 71 3HD1 LEU 71 9.792 -0.187 -6.771 554 1HD2 LEU 71 1HD2 LEU 71 8.843 2.106 -9.464 555 2HD2 LEU 71 2HD2 LEU 71 7.231 1.674 -8.863 556 3HD2 LEU 71 3HD2 LEU 71 7.937 3.272 -8.504 557 H VAL 72 H VAL 72 8.311 3.496 -3.370 558 HA VAL 72 HA VAL 72 10.323 5.358 -4.585 559 HB VAL 72 HB VAL 72 10.274 6.690 -2.554 560 1HG1 VAL 72 1HG1 VAL 72 9.058 7.360 -4.598 561 2HG1 VAL 72 2HG1 VAL 72 7.595 6.566 -3.986 562 3HG1 VAL 72 3HG1 VAL 72 8.281 7.960 -3.126 563 1HG2 VAL 72 1HG2 VAL 72 9.226 5.080 -0.953 564 2HG2 VAL 72 2HG2 VAL 72 8.406 6.643 -1.001 565 3HG2 VAL 72 3HG2 VAL 72 7.689 5.253 -1.825 566 H LYS 73 H LYS 73 9.636 3.033 -1.966 567 HA LYS 73 HA LYS 73 10.938 1.547 -0.918 568 1HB LYS 73 2HB LYS 73 13.209 2.241 -2.818 569 2HB LYS 73 3HB LYS 73 13.108 0.870 -1.720 570 1HG LYS 73 2HG LYS 73 11.351 -0.166 -2.959 571 2HG LYS 73 3HG LYS 73 10.996 1.307 -3.867 572 1HD LYS 73 2HD LYS 73 12.169 -0.263 -5.285 573 2HD LYS 73 3HD LYS 73 13.102 1.223 -5.044 574 1HE LYS 73 2HE LYS 73 14.530 0.070 -3.356 575 2HE LYS 73 3HE LYS 73 13.568 -1.408 -3.540 576 1HZ LYS 73 1HZ LYS 73 15.601 -1.472 -4.796 577 2HZ LYS 73 2HZ LYS 73 14.320 -1.507 -5.827 578 3HZ LYS 73 3HZ LYS 73 15.194 -0.123 -5.639 579 H ILE 74 H ILE 74 12.948 4.395 -1.695 580 HA ILE 74 HA ILE 74 13.710 4.719 1.170 581 HB ILE 74 HB ILE 74 15.325 6.356 0.326 582 1HG1 ILE 74 2HG1 ILE 74 14.490 5.574 -2.509 583 2HG1 ILE 74 3HG1 ILE 74 13.990 7.071 -1.711 584 1HG2 ILE 74 1HG2 ILE 74 16.892 4.803 -0.646 585 2HG2 ILE 74 2HG2 ILE 74 15.898 3.930 0.521 586 3HG2 ILE 74 3HG2 ILE 74 15.587 3.746 -1.218 587 1HD1 ILE 74 1HD1 ILE 74 16.374 7.717 -1.432 588 2HD1 ILE 74 2HD1 ILE 74 16.848 6.280 -2.374 589 3HD1 ILE 74 3HD1 ILE 74 15.866 7.548 -3.123 590 H GLU 75 H GLU 75 13.916 7.446 1.353 591 HA GLU 75 HA GLU 75 11.668 8.794 0.188 592 1HB GLU 75 2HB GLU 75 10.973 7.899 2.530 593 2HB GLU 75 3HB GLU 75 12.214 8.973 3.189 594 1HG GLU 75 2HG GLU 75 11.066 10.915 2.138 595 2HG GLU 75 3HG GLU 75 9.823 9.836 1.487 Start of MODEL 6 1 1H MET 1 H1 MET 1 10.848 -14.249 7.045 2 2H MET 1 H2 MET 1 12.236 -13.928 7.912 3 3H MET 1 H3 MET 1 11.490 -12.746 7.042 4 HA MET 1 HA MET 1 13.077 -13.364 5.492 5 1HB MET 1 2HB MET 1 12.711 -16.193 6.580 6 2HB MET 1 3HB MET 1 13.688 -15.788 5.163 7 1HG MET 1 2HG MET 1 15.139 -14.344 6.531 8 2HG MET 1 3HG MET 1 14.202 -14.756 7.980 9 1HE MET 1 1HE MET 1 17.361 -15.013 7.784 10 2HE MET 1 2HE MET 1 16.414 -15.423 9.239 11 3HE MET 1 3HE MET 1 17.597 -16.581 8.590 12 H GLY 2 H GLY 2 12.538 -13.966 3.232 13 1HA GLY 2 2HA GLY 2 11.002 -14.079 1.531 14 2HA GLY 2 1HA GLY 2 10.050 -15.227 2.504 15 H ASP 3 H ASP 3 10.997 -11.743 2.456 16 HA ASP 3 HA ASP 3 8.672 -10.862 4.035 17 1HB ASP 3 2HB ASP 3 9.853 -12.437 5.432 18 2HB ASP 3 3HB ASP 3 11.434 -11.686 5.019 19 H GLY 4 H GLY 4 9.482 -8.726 5.091 20 1HA GLY 4 2HA GLY 4 11.087 -6.822 4.671 21 2HA GLY 4 1HA GLY 4 10.809 -7.085 2.937 22 H VAL 5 H VAL 5 10.206 -4.679 3.313 23 HA VAL 5 HA VAL 5 7.286 -4.548 3.436 24 HB VAL 5 HB VAL 5 7.167 -2.660 4.833 25 1HG1 VAL 5 1HG1 VAL 5 7.525 -4.822 6.071 26 2HG1 VAL 5 2HG1 VAL 5 9.246 -4.413 6.221 27 3HG1 VAL 5 3HG1 VAL 5 8.031 -3.383 6.980 28 1HG2 VAL 5 1HG2 VAL 5 10.205 -2.482 4.863 29 2HG2 VAL 5 2HG2 VAL 5 9.079 -1.334 4.100 30 3HG2 VAL 5 3HG2 VAL 5 9.094 -1.508 5.855 31 H LEU 6 H LEU 6 6.511 -2.701 2.177 32 HA LEU 6 HA LEU 6 8.556 -1.458 0.409 33 1HB LEU 6 2HB LEU 6 6.909 -3.407 -0.551 34 2HB LEU 6 3HB LEU 6 5.820 -2.043 -0.686 35 HG LEU 6 HG LEU 6 6.838 -2.218 -2.771 36 1HD1 LEU 6 1HD1 LEU 6 8.725 -0.197 -1.496 37 2HD1 LEU 6 2HD1 LEU 6 8.165 -0.291 -3.169 38 3HD1 LEU 6 3HD1 LEU 6 7.028 0.143 -1.898 39 1HD2 LEU 6 1HD2 LEU 6 9.270 -2.495 -3.159 40 2HD2 LEU 6 2HD2 LEU 6 9.526 -2.639 -1.407 41 3HD2 LEU 6 3HD2 LEU 6 8.549 -3.842 -2.278 42 H GLU 7 H GLU 7 8.387 0.722 0.531 43 HA GLU 7 HA GLU 7 5.902 1.991 1.585 44 1HB GLU 7 2HB GLU 7 8.690 3.118 1.205 45 2HB GLU 7 3HB GLU 7 7.279 3.958 1.872 46 1HG GLU 7 2HG GLU 7 7.247 2.366 3.771 47 2HG GLU 7 3HG GLU 7 8.658 1.541 3.076 48 H LEU 8 H LEU 8 4.566 2.677 -0.014 49 HA LEU 8 HA LEU 8 5.808 3.654 -2.547 50 1HB LEU 8 2HB LEU 8 3.092 3.356 -3.063 51 2HB LEU 8 3HB LEU 8 4.390 2.385 -3.716 52 HG LEU 8 HG LEU 8 2.952 1.657 -1.121 53 1HD1 LEU 8 1HD1 LEU 8 1.324 1.799 -2.918 54 2HD1 LEU 8 2HD1 LEU 8 2.361 0.799 -3.969 55 3HD1 LEU 8 3HD1 LEU 8 1.655 0.110 -2.495 56 1HD2 LEU 8 1HD2 LEU 8 4.937 0.347 -1.240 57 2HD2 LEU 8 2HD2 LEU 8 3.755 -0.690 -2.020 58 3HD2 LEU 8 3HD2 LEU 8 4.874 0.235 -3.019 59 H VAL 9 H VAL 9 5.153 5.691 -3.228 60 HA VAL 9 HA VAL 9 3.859 7.438 -1.217 61 HB VAL 9 HB VAL 9 5.421 7.829 -3.766 62 1HG1 VAL 9 1HG1 VAL 9 3.652 9.944 -2.496 63 2HG1 VAL 9 2HG1 VAL 9 4.896 10.193 -3.748 64 3HG1 VAL 9 3HG1 VAL 9 3.453 9.247 -4.126 65 1HG2 VAL 9 1HG2 VAL 9 5.517 9.137 -1.007 66 2HG2 VAL 9 2HG2 VAL 9 6.550 7.788 -1.528 67 3HG2 VAL 9 3HG2 VAL 9 6.684 9.371 -2.321 68 H VAL 10 H VAL 10 1.731 8.073 -1.516 69 HA VAL 10 HA VAL 10 0.209 7.202 -3.918 70 HB VAL 10 HB VAL 10 -1.620 6.805 -1.976 71 1HG1 VAL 10 1HG1 VAL 10 0.073 4.579 -3.100 72 2HG1 VAL 10 2HG1 VAL 10 -1.598 4.544 -2.504 73 3HG1 VAL 10 3HG1 VAL 10 -1.220 5.408 -4.006 74 1HG2 VAL 10 1HG2 VAL 10 0.241 6.804 -0.248 75 2HG2 VAL 10 2HG2 VAL 10 -0.771 5.345 -0.327 76 3HG2 VAL 10 3HG2 VAL 10 0.856 5.341 -1.057 77 H ARG 11 H ARG 11 -0.315 9.165 -4.674 78 HA ARG 11 HA ARG 11 -1.411 11.337 -3.029 79 1HB ARG 11 2HB ARG 11 -2.042 10.732 -5.940 80 2HB ARG 11 3HB ARG 11 -2.248 12.267 -5.111 81 1HG ARG 11 2HG ARG 11 0.419 10.932 -5.674 82 2HG ARG 11 3HG ARG 11 -0.355 12.142 -6.703 83 1HD ARG 11 2HD ARG 11 0.848 13.645 -5.607 84 2HD ARG 11 3HD ARG 11 -0.343 13.486 -4.318 85 HE ARG 11 HE ARG 11 1.369 12.706 -3.002 86 1HH1 ARG 11 2HH2 ARG 11 2.332 11.251 -6.184 87 2HH1 ARG 11 1HH2 ARG 11 3.974 11.654 -5.930 88 1HH2 ARG 11 2HH1 ARG 11 3.470 12.833 -2.591 89 2HH2 ARG 11 1HH1 ARG 11 4.701 12.418 -3.767 90 H GLY 12 H GLY 12 -3.707 11.820 -2.971 91 1HA GLY 12 2HA GLY 12 -5.845 11.431 -3.949 92 2HA GLY 12 1HA GLY 12 -5.612 9.691 -3.875 93 H MET 13 H MET 13 -4.432 10.143 -0.976 94 HA MET 13 HA MET 13 -6.932 9.586 0.248 95 1HB MET 13 2HB MET 13 -4.272 10.093 1.594 96 2HB MET 13 3HB MET 13 -5.722 9.448 2.366 97 1HG MET 13 2HG MET 13 -4.596 7.499 1.954 98 2HG MET 13 3HG MET 13 -5.610 7.588 0.522 99 1HE MET 13 1HE MET 13 -1.074 8.256 0.735 100 2HE MET 13 2HE MET 13 -2.174 9.520 1.277 101 3HE MET 13 3HE MET 13 -2.152 7.937 2.104 102 H THR 14 H THR 14 -8.256 11.355 -0.155 103 HA THR 14 HA THR 14 -7.686 13.904 1.109 104 HB THR 14 HB THR 14 -8.911 13.840 -0.924 105 HG1 THR 14 1HG THR 14 -9.277 15.563 0.428 106 1HG2 THR 14 1HG2 THR 14 -10.248 11.763 -0.682 107 2HG2 THR 14 2HG2 THR 14 -11.264 12.573 0.532 108 3HG2 THR 14 3HG2 THR 14 -11.216 13.175 -1.124 109 H CYS 15 H CYS 15 -7.363 13.751 3.225 110 HA CYS 15 HA CYS 15 -7.914 14.046 5.356 111 1HB CYS 15 2HB CYS 15 -9.632 15.513 4.497 112 2HB CYS 15 3HB CYS 15 -10.783 14.170 4.327 113 HG CYS 15 HG CYS 15 -10.906 13.510 6.798 114 H ALA 16 H ALA 16 -10.600 11.828 4.451 115 HA ALA 16 HA ALA 16 -9.788 10.025 6.655 116 1HB ALA 16 1HB ALA 16 -12.508 11.405 6.583 117 2HB ALA 16 2HB ALA 16 -12.045 10.075 7.664 118 3HB ALA 16 3HB ALA 16 -11.244 11.650 7.816 119 H SER 17 H SER 17 -11.359 8.148 6.679 120 HA SER 17 HA SER 17 -12.204 6.347 5.669 121 1HB SER 17 2HB SER 17 -13.006 8.068 3.291 122 2HB SER 17 3HB SER 17 -13.639 6.485 3.756 123 HG SER 17 HG SER 17 -14.374 7.472 5.722 124 H CYS 18 H CYS 18 -10.521 8.307 3.108 125 HA CYS 18 HA CYS 18 -9.615 6.281 1.413 126 1HB CYS 18 2HB CYS 18 -8.180 8.796 2.342 127 2HB CYS 18 3HB CYS 18 -7.758 7.758 0.953 128 HG CYS 18 HG CYS 18 -9.877 8.082 -0.406 129 H VAL 19 H VAL 19 -8.009 7.401 4.405 130 HA VAL 19 HA VAL 19 -5.780 5.821 4.403 131 HB VAL 19 HB VAL 19 -7.602 6.570 6.719 132 1HG1 VAL 19 1HG1 VAL 19 -5.689 6.193 8.200 133 2HG1 VAL 19 2HG1 VAL 19 -6.125 4.677 7.406 134 3HG1 VAL 19 3HG1 VAL 19 -4.716 5.601 6.847 135 1HG2 VAL 19 1HG2 VAL 19 -6.667 8.512 5.507 136 2HG2 VAL 19 2HG2 VAL 19 -5.919 8.341 7.098 137 3HG2 VAL 19 3HG2 VAL 19 -5.037 7.821 5.650 138 H HIS 20 H HIS 20 -8.960 4.775 5.844 139 HA HIS 20 HA HIS 20 -7.929 2.088 6.129 140 1HB HIS 20 2HB HIS 20 -9.423 1.926 7.698 141 2HB HIS 20 3HB HIS 20 -9.872 3.598 7.431 142 HD1 HIS 20 1HD HIS 20 -11.566 0.573 7.966 143 HD2 HIS 20 2HD HIS 20 -11.799 3.600 5.071 144 HE1 HIS 20 1HE HIS 20 -13.897 0.441 6.949 145 H LYS 21 H LYS 21 -9.732 3.821 3.680 146 HA LYS 21 HA LYS 21 -10.884 1.714 2.214 147 1HB LYS 21 2HB LYS 21 -10.696 4.354 1.845 148 2HB LYS 21 3HB LYS 21 -9.400 3.901 0.750 149 1HG LYS 21 2HG LYS 21 -12.294 2.947 0.608 150 2HG LYS 21 3HG LYS 21 -11.576 4.259 -0.332 151 1HD LYS 21 2HD LYS 21 -9.900 2.514 -1.254 152 2HD LYS 21 3HD LYS 21 -10.902 1.296 -0.463 153 1HE LYS 21 2HE LYS 21 -11.626 1.330 -2.719 154 2HE LYS 21 3HE LYS 21 -12.893 2.122 -1.778 155 1HZ LYS 21 1HZ LYS 21 -12.440 3.319 -3.775 156 2HZ LYS 21 2HZ LYS 21 -11.911 4.258 -2.536 157 3HZ LYS 21 3HZ LYS 21 -10.848 3.427 -3.485 158 H ILE 22 H ILE 22 -7.536 2.899 2.419 159 HA ILE 22 HA ILE 22 -6.565 0.832 0.556 160 HB ILE 22 HB ILE 22 -4.942 2.734 2.314 161 1HG1 ILE 22 2HG1 ILE 22 -5.809 3.026 -0.583 162 2HG1 ILE 22 3HG1 ILE 22 -6.433 3.978 0.779 163 1HG2 ILE 22 1HG2 ILE 22 -4.413 1.110 -0.189 164 2HG2 ILE 22 2HG2 ILE 22 -3.227 2.192 0.562 165 3HG2 ILE 22 3HG2 ILE 22 -3.761 0.742 1.432 166 1HD1 ILE 22 1HD1 ILE 22 -4.930 5.366 -0.298 167 2HD1 ILE 22 2HD1 ILE 22 -4.150 4.862 1.201 168 3HD1 ILE 22 3HD1 ILE 22 -3.648 4.153 -0.359 169 H GLU 23 H GLU 23 -5.918 1.744 3.942 170 HA GLU 23 HA GLU 23 -4.376 -0.372 4.657 171 1HB GLU 23 2HB GLU 23 -5.471 1.848 5.923 172 2HB GLU 23 3HB GLU 23 -6.186 0.552 6.859 173 1HG GLU 23 2HG GLU 23 -3.971 -0.233 7.482 174 2HG GLU 23 3HG GLU 23 -3.204 0.766 6.229 175 H SER 24 H SER 24 -7.909 -0.225 5.131 176 HA SER 24 HA SER 24 -8.120 -2.824 6.373 177 1HB SER 24 2HB SER 24 -9.742 -0.904 6.635 178 2HB SER 24 3HB SER 24 -10.332 -1.249 4.993 179 HG SER 24 HG SER 24 -11.565 -2.323 6.594 180 H SER 25 H SER 25 -8.608 -1.576 3.038 181 HA SER 25 HA SER 25 -9.610 -4.040 1.977 182 1HB SER 25 2HB SER 25 -9.828 -1.828 0.868 183 2HB SER 25 3HB SER 25 -8.103 -1.879 0.464 184 HG SER 25 HG SER 25 -8.644 -3.969 -0.564 185 H LEU 26 H LEU 26 -6.324 -2.826 2.560 186 HA LEU 26 HA LEU 26 -5.105 -5.058 1.126 187 1HB LEU 26 2HB LEU 26 -4.073 -2.731 2.667 188 2HB LEU 26 3HB LEU 26 -3.072 -4.190 2.485 189 HG LEU 26 HG LEU 26 -3.382 -4.153 0.032 190 1HD1 LEU 26 1HD1 LEU 26 -4.165 -2.133 -1.102 191 2HD1 LEU 26 2HD1 LEU 26 -5.485 -2.837 -0.167 192 3HD1 LEU 26 3HD1 LEU 26 -4.625 -1.404 0.444 193 1HD2 LEU 26 1HD2 LEU 26 -2.203 -1.631 1.236 194 2HD2 LEU 26 2HD2 LEU 26 -1.433 -3.238 1.126 195 3HD2 LEU 26 3HD2 LEU 26 -1.831 -2.346 -0.354 196 H THR 27 H THR 27 -5.387 -4.202 4.609 197 HA THR 27 HA THR 27 -4.124 -6.616 5.520 198 HB THR 27 HB THR 27 -4.895 -5.877 7.771 199 HG1 THR 27 1HG THR 27 -5.844 -3.597 6.378 200 1HG2 THR 27 1HG2 THR 27 -3.476 -3.831 7.797 201 2HG2 THR 27 2HG2 THR 27 -2.721 -5.181 6.932 202 3HG2 THR 27 3HG2 THR 27 -3.454 -3.845 6.021 203 H LYS 28 H LYS 28 -5.479 -7.960 4.097 204 HA LYS 28 HA LYS 28 -7.478 -9.486 5.468 205 1HB LYS 28 2HB LYS 28 -9.426 -8.906 4.147 206 2HB LYS 28 3HB LYS 28 -8.842 -7.502 5.038 207 1HG LYS 28 2HG LYS 28 -9.075 -6.390 3.092 208 2HG LYS 28 3HG LYS 28 -7.511 -7.062 2.748 209 1HD LYS 28 2HD LYS 28 -8.548 -7.681 0.817 210 2HD LYS 28 3HD LYS 28 -8.996 -9.108 1.747 211 1HE LYS 28 2HE LYS 28 -10.646 -6.589 1.212 212 2HE LYS 28 3HE LYS 28 -10.957 -8.212 0.582 213 1HZ LYS 28 1HZ LYS 28 -11.086 -7.430 3.422 214 2HZ LYS 28 2HZ LYS 28 -12.387 -7.661 2.439 215 3HZ LYS 28 3HZ LYS 28 -11.411 -8.930 2.832 216 H HIS 29 H HIS 29 -6.014 -8.516 2.285 217 HA HIS 29 HA HIS 29 -6.731 -11.099 1.122 218 1HB HIS 29 2HB HIS 29 -5.433 -10.425 -0.780 219 2HB HIS 29 3HB HIS 29 -6.543 -9.140 -0.306 220 HD1 HIS 29 1HD HIS 29 -2.752 -9.971 -0.046 221 HD2 HIS 29 2HD HIS 29 -5.501 -6.775 -0.222 222 HE1 HIS 29 1HE HIS 29 -1.388 -7.834 -0.360 223 H ARG 30 H ARG 30 -5.201 -12.787 0.636 224 HA ARG 30 HA ARG 30 -3.351 -13.332 2.762 225 1HB ARG 30 2HB ARG 30 -3.587 -14.561 -0.022 226 2HB ARG 30 3HB ARG 30 -2.560 -15.167 1.283 227 1HG ARG 30 2HG ARG 30 -4.662 -15.388 2.724 228 2HG ARG 30 3HG ARG 30 -5.607 -14.993 1.282 229 1HD ARG 30 2HD ARG 30 -5.529 -17.398 1.523 230 2HD ARG 30 3HD ARG 30 -4.576 -16.924 0.095 231 HE ARG 30 HE ARG 30 -2.936 -17.077 2.468 232 1HH1 ARG 30 2HH2 ARG 30 -4.542 -19.145 0.116 233 2HH1 ARG 30 1HH2 ARG 30 -3.412 -20.457 0.241 234 1HH2 ARG 30 2HH1 ARG 30 -1.395 -18.789 2.667 235 2HH2 ARG 30 1HH1 ARG 30 -1.583 -20.246 1.751 236 H GLY 31 H GLY 31 -0.996 -13.586 2.543 237 1HA GLY 31 2HA GLY 31 1.068 -13.168 1.646 238 2HA GLY 31 1HA GLY 31 0.342 -12.340 0.275 239 H ILE 32 H ILE 32 -1.105 -10.841 2.936 240 HA ILE 32 HA ILE 32 0.886 -8.674 2.967 241 HB ILE 32 HB ILE 32 -1.659 -8.587 2.290 242 1HG1 ILE 32 2HG1 ILE 32 -0.014 -6.605 2.552 243 2HG1 ILE 32 3HG1 ILE 32 -1.769 -6.317 2.638 244 1HG2 ILE 32 1HG2 ILE 32 -1.839 -8.301 5.311 245 2HG2 ILE 32 2HG2 ILE 32 -3.136 -8.056 4.117 246 3HG2 ILE 32 3HG2 ILE 32 -2.434 -9.669 4.363 247 1HD1 ILE 32 1HD1 ILE 32 -0.203 -6.846 5.123 248 2HD1 ILE 32 2HD1 ILE 32 -0.189 -5.253 4.382 249 3HD1 ILE 32 3HD1 ILE 32 -1.729 -5.963 4.933 250 H LEU 33 H LEU 33 1.714 -8.058 5.060 251 HA LEU 33 HA LEU 33 1.119 -9.857 7.343 252 1HB LEU 33 2HB LEU 33 3.425 -9.830 6.595 253 2HB LEU 33 3HB LEU 33 3.478 -8.072 6.681 254 HG LEU 33 HG LEU 33 3.204 -8.139 9.130 255 1HD1 LEU 33 1HD1 LEU 33 3.175 -11.159 8.695 256 2HD1 LEU 33 2HD1 LEU 33 3.425 -10.380 10.275 257 3HD1 LEU 33 3HD1 LEU 33 1.887 -10.175 9.426 258 1HD2 LEU 33 1HD2 LEU 33 5.440 -8.199 8.075 259 2HD2 LEU 33 2HD2 LEU 33 5.429 -9.101 9.606 260 3HD2 LEU 33 3HD2 LEU 33 5.389 -9.971 8.054 261 H TYR 34 H TYR 34 1.511 -6.349 6.425 262 HA TYR 34 HA TYR 34 -0.535 -5.519 8.262 263 1HB TYR 34 2HB TYR 34 1.355 -5.919 9.878 264 2HB TYR 34 3HB TYR 34 2.372 -4.871 8.913 265 HD1 TYR 34 HD1 TYR 34 -1.055 -4.689 10.513 266 HD2 TYR 34 HD2 TYR 34 2.698 -2.715 9.741 267 HE1 TYR 34 HE1 TYR 34 -1.893 -2.645 11.630 268 HE2 TYR 34 HE2 TYR 34 1.900 -0.722 10.980 269 HH TYR 34 HH TYR 34 -1.457 -0.393 12.068 270 H CYS 35 H CYS 35 -0.717 -2.998 8.122 271 HA CYS 35 HA CYS 35 0.833 -1.800 5.908 272 1HB CYS 35 2HB CYS 35 -2.223 -1.868 6.081 273 2HB CYS 35 3HB CYS 35 -1.325 -0.672 5.140 274 HG CYS 35 HG CYS 35 -2.301 -2.389 3.537 275 H SER 36 H SER 36 0.775 0.530 6.032 276 HA SER 36 HA SER 36 -1.284 1.609 7.603 277 1HB SER 36 2HB SER 36 0.285 1.379 9.501 278 2HB SER 36 3HB SER 36 1.465 2.388 8.629 279 HG SER 36 HG SER 36 -1.189 3.230 9.203 280 H VAL 37 H VAL 37 -1.995 3.465 6.511 281 HA VAL 37 HA VAL 37 -0.004 4.776 4.725 282 HB VAL 37 HB VAL 37 -1.650 5.067 3.093 283 1HG1 VAL 37 1HG1 VAL 37 -1.018 2.579 3.477 284 2HG1 VAL 37 2HG1 VAL 37 -2.596 2.417 4.268 285 3HG1 VAL 37 3HG1 VAL 37 -2.506 2.915 2.576 286 1HG2 VAL 37 1HG2 VAL 37 -3.474 5.963 4.446 287 2HG2 VAL 37 2HG2 VAL 37 -4.068 4.623 3.460 288 3HG2 VAL 37 3HG2 VAL 37 -3.748 4.360 5.180 289 H ALA 38 H ALA 38 -0.219 7.056 4.366 290 HA ALA 38 HA ALA 38 -1.890 8.589 6.242 291 1HB ALA 38 1HB ALA 38 1.125 8.581 6.451 292 2HB ALA 38 2HB ALA 38 0.054 9.837 7.132 293 3HB ALA 38 3HB ALA 38 -0.047 8.158 7.716 294 H LEU 39 H LEU 39 -2.398 10.491 5.505 295 HA LEU 39 HA LEU 39 -1.799 11.101 2.746 296 1HB LEU 39 2HB LEU 39 -3.535 12.722 2.890 297 2HB LEU 39 3HB LEU 39 -4.022 11.220 3.666 298 HG LEU 39 HG LEU 39 -3.119 12.551 5.875 299 1HD1 LEU 39 1HD1 LEU 39 -3.874 14.890 5.758 300 2HD1 LEU 39 2HD1 LEU 39 -2.597 14.647 4.558 301 3HD1 LEU 39 3HD1 LEU 39 -4.292 14.704 4.045 302 1HD2 LEU 39 1HD2 LEU 39 -5.841 12.781 4.554 303 2HD2 LEU 39 2HD2 LEU 39 -5.300 11.480 5.633 304 3HD2 LEU 39 3HD2 LEU 39 -5.505 13.122 6.266 305 H ALA 40 H ALA 40 -0.759 12.481 5.843 306 HA ALA 40 HA ALA 40 0.071 15.023 4.879 307 1HB ALA 40 1HB ALA 40 -0.204 14.497 7.272 308 2HB ALA 40 2HB ALA 40 1.151 13.348 7.193 309 3HB ALA 40 3HB ALA 40 1.438 15.082 6.936 310 H THR 41 H THR 41 1.648 11.860 5.078 311 HA THR 41 HA THR 41 4.057 12.866 3.640 312 HB THR 41 HB THR 41 4.437 11.567 5.618 313 HG1 THR 41 1HG THR 41 5.067 10.517 3.095 314 1HG2 THR 41 1HG2 THR 41 3.869 9.107 5.645 315 2HG2 THR 41 2HG2 THR 41 2.540 10.234 5.932 316 3HG2 THR 41 3HG2 THR 41 2.698 9.440 4.350 317 H ASN 42 H ASN 42 0.992 11.678 2.934 318 HA ASN 42 HA ASN 42 0.047 10.350 1.407 319 1HB ASN 42 2HB ASN 42 0.751 11.069 -1.039 320 2HB ASN 42 3HB ASN 42 -0.287 12.010 0.015 321 1HD2 ASN 42 1HD2 ASN 42 0.916 13.626 1.464 322 2HD2 ASN 42 2HD2 ASN 42 2.104 14.614 0.628 323 H LYS 43 H LYS 43 1.252 8.702 2.563 324 HA LYS 43 HA LYS 43 2.879 7.066 0.684 325 1HB LYS 43 2HB LYS 43 4.310 8.244 2.410 326 2HB LYS 43 3HB LYS 43 3.391 7.377 3.659 327 1HG LYS 43 2HG LYS 43 4.133 5.201 2.543 328 2HG LYS 43 3HG LYS 43 5.205 6.161 1.528 329 1HD LYS 43 2HD LYS 43 5.182 6.103 4.596 330 2HD LYS 43 3HD LYS 43 6.211 5.091 3.586 331 1HE LYS 43 2HE LYS 43 7.225 7.168 2.579 332 2HE LYS 43 3HE LYS 43 6.293 8.145 3.728 333 1HZ LYS 43 1HZ LYS 43 8.557 7.662 4.478 334 2HZ LYS 43 2HZ LYS 43 7.446 7.015 5.512 335 3HZ LYS 43 3HZ LYS 43 8.235 6.049 4.461 336 H ALA 44 H ALA 44 2.495 4.881 0.814 337 HA ALA 44 HA ALA 44 0.816 3.797 3.013 338 1HB ALA 44 1HB ALA 44 -0.526 3.541 0.990 339 2HB ALA 44 2HB ALA 44 0.881 2.922 0.090 340 3HB ALA 44 3HB ALA 44 0.179 1.975 1.417 341 H HIS 45 H HIS 45 2.132 2.617 4.303 342 HA HIS 45 HA HIS 45 4.437 1.227 3.027 343 1HB HIS 45 2HB HIS 45 5.488 1.019 4.937 344 2HB HIS 45 3HB HIS 45 4.623 2.495 5.340 345 HD1 HIS 45 1HD HIS 45 3.972 2.268 7.816 346 HD2 HIS 45 2HD HIS 45 3.901 -1.390 5.729 347 HE1 HIS 45 1HE HIS 45 3.535 0.441 9.535 348 H ILE 46 H ILE 46 4.283 -0.902 2.653 349 HA ILE 46 HA ILE 46 2.029 -2.416 3.885 350 HB ILE 46 HB ILE 46 3.162 -2.791 1.082 351 1HG1 ILE 46 2HG1 ILE 46 0.594 -2.433 0.624 352 2HG1 ILE 46 3HG1 ILE 46 0.604 -1.533 2.139 353 1HG2 ILE 46 1HG2 ILE 46 1.021 -4.255 2.673 354 2HG2 ILE 46 2HG2 ILE 46 1.335 -4.512 0.949 355 3HG2 ILE 46 3HG2 ILE 46 2.591 -4.882 2.131 356 1HD1 ILE 46 1HD1 ILE 46 2.327 -0.996 -0.324 357 2HD1 ILE 46 2HD1 ILE 46 0.859 -0.104 0.107 358 3HD1 ILE 46 3HD1 ILE 46 2.299 0.035 1.114 359 H LYS 47 H LYS 47 2.688 -4.098 4.968 360 HA LYS 47 HA LYS 47 5.391 -5.291 4.643 361 1HB LYS 47 2HB LYS 47 3.517 -5.762 6.968 362 2HB LYS 47 3HB LYS 47 5.207 -6.235 6.756 363 1HG LYS 47 2HG LYS 47 5.620 -3.621 6.653 364 2HG LYS 47 3HG LYS 47 4.003 -3.522 7.369 365 1HD LYS 47 2HD LYS 47 4.718 -5.112 9.156 366 2HD LYS 47 3HD LYS 47 6.338 -5.172 8.445 367 1HE LYS 47 2HE LYS 47 6.624 -2.723 8.836 368 2HE LYS 47 3HE LYS 47 5.004 -2.631 9.529 369 1HZ LYS 47 1HZ LYS 47 6.681 -2.766 11.218 370 2HZ LYS 47 2HZ LYS 47 5.729 -4.104 11.281 371 3HZ LYS 47 3HZ LYS 47 7.241 -4.198 10.634 372 H TYR 48 H TYR 48 5.280 -7.562 4.088 373 HA TYR 48 HA TYR 48 2.949 -8.930 3.489 374 1HB TYR 48 2HB TYR 48 2.768 -8.496 1.094 375 2HB TYR 48 3HB TYR 48 2.602 -6.984 1.912 376 HD1 TYR 48 HD1 TYR 48 5.232 -5.814 2.257 377 HD2 TYR 48 HD2 TYR 48 3.886 -8.435 -0.894 378 HE1 TYR 48 HE1 TYR 48 7.247 -5.301 0.961 379 HE2 TYR 48 HE2 TYR 48 5.777 -7.699 -2.286 380 HH TYR 48 HH TYR 48 8.380 -5.617 -1.012 381 H ASP 49 H ASP 49 3.577 -10.562 1.559 382 HA ASP 49 HA ASP 49 6.189 -11.720 2.335 383 1HB ASP 49 2HB ASP 49 3.658 -12.935 1.241 384 2HB ASP 49 3HB ASP 49 5.082 -13.802 1.873 385 HA PRO 50 HA PRO 50 6.448 -9.892 -1.923 386 1HB PRO 50 2HB PRO 50 9.270 -10.035 -2.174 387 2HB PRO 50 3HB PRO 50 8.315 -8.662 -1.570 388 1HG PRO 50 2HG PRO 50 9.652 -10.849 0.024 389 2HG PRO 50 3HG PRO 50 9.613 -9.094 0.367 390 1HD PRO 50 2HD PRO 50 7.978 -10.741 1.680 391 2HD PRO 50 3HD PRO 50 7.324 -9.207 1.041 392 H GLU 51 H GLU 51 8.353 -12.800 -1.009 393 HA GLU 51 HA GLU 51 8.805 -13.629 -3.666 394 1HB GLU 51 2HB GLU 51 9.316 -15.836 -2.659 395 2HB GLU 51 3HB GLU 51 10.179 -14.478 -1.936 396 1HG GLU 51 2HG GLU 51 8.684 -14.517 0.029 397 2HG GLU 51 3HG GLU 51 7.706 -15.787 -0.727 398 H ILE 52 H ILE 52 5.837 -13.841 -1.816 399 HA ILE 52 HA ILE 52 4.794 -15.870 -3.749 400 HB ILE 52 HB ILE 52 2.883 -16.055 -2.149 401 1HG1 ILE 52 2HG1 ILE 52 4.777 -14.734 -0.192 402 2HG1 ILE 52 3HG1 ILE 52 3.260 -14.045 -0.793 403 1HG2 ILE 52 1HG2 ILE 52 4.075 -17.748 -0.851 404 2HG2 ILE 52 2HG2 ILE 52 4.766 -17.709 -2.468 405 3HG2 ILE 52 3HG2 ILE 52 5.623 -16.923 -1.127 406 1HD1 ILE 52 1HD1 ILE 52 3.567 -16.526 0.940 407 2HD1 ILE 52 2HD1 ILE 52 2.743 -15.022 1.335 408 3HD1 ILE 52 3HD1 ILE 52 2.052 -16.089 0.110 409 H ILE 53 H ILE 53 3.734 -12.814 -2.256 410 HA ILE 53 HA ILE 53 1.597 -12.724 -4.324 411 HB ILE 53 HB ILE 53 0.863 -12.371 -2.120 412 1HG1 ILE 53 2HG1 ILE 53 0.765 -9.593 -3.306 413 2HG1 ILE 53 3HG1 ILE 53 0.083 -10.956 -4.200 414 1HG2 ILE 53 1HG2 ILE 53 2.792 -11.475 -0.938 415 2HG2 ILE 53 2HG2 ILE 53 2.768 -10.005 -1.942 416 3HG2 ILE 53 3HG2 ILE 53 1.466 -10.322 -0.805 417 1HD1 ILE 53 1HD1 ILE 53 -1.360 -11.534 -2.269 418 2HD1 ILE 53 2HD1 ILE 53 -0.710 -10.144 -1.369 419 3HD1 ILE 53 3HD1 ILE 53 -1.662 -9.888 -2.839 420 H GLY 54 H GLY 54 4.317 -10.786 -3.221 421 1HA GLY 54 2HA GLY 54 5.803 -9.589 -4.468 422 2HA GLY 54 1HA GLY 54 4.843 -9.819 -5.935 423 HA PRO 55 HA PRO 55 4.205 -5.571 -3.747 424 1HB PRO 55 2HB PRO 55 5.953 -3.944 -5.119 425 2HB PRO 55 3HB PRO 55 6.375 -4.846 -3.637 426 1HG PRO 55 2HG PRO 55 6.908 -5.663 -6.504 427 2HG PRO 55 3HG PRO 55 8.050 -5.673 -5.127 428 1HD PRO 55 2HD PRO 55 6.743 -7.939 -5.901 429 2HD PRO 55 3HD PRO 55 7.012 -7.602 -4.175 430 H ARG 56 H ARG 56 4.656 -6.505 -7.165 431 HA ARG 56 HA ARG 56 3.306 -4.359 -8.356 432 1HB ARG 56 2HB ARG 56 4.590 -6.023 -9.630 433 2HB ARG 56 3HB ARG 56 3.347 -7.255 -9.300 434 1HG ARG 56 2HG ARG 56 1.655 -5.902 -10.453 435 2HG ARG 56 3HG ARG 56 2.812 -4.578 -10.672 436 1HD ARG 56 2HD ARG 56 4.130 -5.985 -12.205 437 2HD ARG 56 3HD ARG 56 3.015 -7.350 -11.909 438 HE ARG 56 HE ARG 56 1.545 -4.999 -12.679 439 1HH1 ARG 56 2HH2 ARG 56 3.552 -7.471 -14.191 440 2HH1 ARG 56 1HH2 ARG 56 2.660 -7.468 -15.686 441 1HH2 ARG 56 2HH1 ARG 56 0.380 -4.987 -14.440 442 2HH2 ARG 56 1HH1 ARG 56 0.759 -5.930 -15.876 443 H ASP 57 H ASP 57 1.954 -7.357 -6.932 444 HA ASP 57 HA ASP 57 -0.748 -7.067 -7.735 445 1HB ASP 57 2HB ASP 57 0.079 -9.110 -6.678 446 2HB ASP 57 3HB ASP 57 0.506 -8.225 -5.207 447 H ILE 58 H ILE 58 0.923 -5.980 -4.786 448 HA ILE 58 HA ILE 58 -1.224 -4.538 -3.608 449 HB ILE 58 HB ILE 58 1.795 -4.513 -3.385 450 1HG1 ILE 58 2HG1 ILE 58 -0.141 -5.171 -1.172 451 2HG1 ILE 58 3HG1 ILE 58 0.016 -6.331 -2.492 452 1HG2 ILE 58 1HG2 ILE 58 1.601 -3.112 -1.368 453 2HG2 ILE 58 2HG2 ILE 58 1.212 -2.228 -2.843 454 3HG2 ILE 58 3HG2 ILE 58 -0.100 -2.780 -1.778 455 1HD1 ILE 58 1HD1 ILE 58 2.378 -6.582 -2.156 456 2HD1 ILE 58 2HD1 ILE 58 2.405 -5.317 -0.913 457 3HD1 ILE 58 3HD1 ILE 58 1.529 -6.839 -0.619 458 H ILE 59 H ILE 59 1.395 -3.367 -5.757 459 HA ILE 59 HA ILE 59 0.520 -0.679 -5.827 460 HB ILE 59 HB ILE 59 2.050 -2.398 -7.794 461 1HG1 ILE 59 2HG1 ILE 59 2.997 -0.069 -6.082 462 2HG1 ILE 59 3HG1 ILE 59 2.972 -1.726 -5.476 463 1HG2 ILE 59 1HG2 ILE 59 1.614 0.605 -7.984 464 2HG2 ILE 59 2HG2 ILE 59 2.702 -0.353 -9.002 465 3HG2 ILE 59 3HG2 ILE 59 0.964 -0.600 -9.117 466 1HD1 ILE 59 1HD1 ILE 59 5.177 -1.244 -6.247 467 2HD1 ILE 59 2HD1 ILE 59 4.458 -2.428 -7.352 468 3HD1 ILE 59 3HD1 ILE 59 4.599 -0.721 -7.837 469 H HIS 60 H HIS 60 -0.355 -3.321 -8.168 470 HA HIS 60 HA HIS 60 -2.225 -1.667 -9.555 471 1HB HIS 60 2HB HIS 60 -1.943 -4.674 -9.322 472 2HB HIS 60 3HB HIS 60 -3.213 -3.907 -10.282 473 HD1 HIS 60 1HD HIS 60 -1.344 -1.518 -11.530 474 HD2 HIS 60 2HD HIS 60 -0.778 -5.701 -11.533 475 HE1 HIS 60 1HE HIS 60 0.102 -2.058 -13.544 476 H THR 61 H THR 61 -2.632 -3.688 -6.654 477 HA THR 61 HA THR 61 -5.481 -3.527 -6.558 478 HB THR 61 HB THR 61 -3.456 -3.800 -4.293 479 HG1 THR 61 1HG THR 61 -3.349 -5.537 -5.653 480 1HG2 THR 61 1HG2 THR 61 -5.620 -3.082 -3.374 481 2HG2 THR 61 2HG2 THR 61 -6.462 -4.310 -4.349 482 3HG2 THR 61 3HG2 THR 61 -5.353 -4.802 -3.052 483 H ILE 62 H ILE 62 -2.941 -1.420 -5.090 484 HA ILE 62 HA ILE 62 -4.794 0.447 -3.978 485 HB ILE 62 HB ILE 62 -1.866 0.545 -4.698 486 1HG1 ILE 62 2HG1 ILE 62 -3.342 0.373 -2.015 487 2HG1 ILE 62 3HG1 ILE 62 -2.739 -1.040 -2.886 488 1HG2 ILE 62 1HG2 ILE 62 -1.666 2.558 -3.365 489 2HG2 ILE 62 2HG2 ILE 62 -2.743 2.863 -4.701 490 3HG2 ILE 62 3HG2 ILE 62 -3.422 2.603 -3.073 491 1HD1 ILE 62 1HD1 ILE 62 -1.067 -0.463 -1.306 492 2HD1 ILE 62 2HD1 ILE 62 -0.503 -0.025 -2.939 493 3HD1 ILE 62 3HD1 ILE 62 -1.075 1.236 -1.804 494 H GLU 63 H GLU 63 -3.034 0.414 -7.108 495 HA GLU 63 HA GLU 63 -3.810 2.862 -8.198 496 1HB GLU 63 2HB GLU 63 -2.205 1.102 -9.072 497 2HB GLU 63 3HB GLU 63 -3.604 0.124 -9.525 498 1HG GLU 63 2HG GLU 63 -4.361 1.888 -11.015 499 2HG GLU 63 3HG GLU 63 -2.907 2.844 -10.656 500 H SER 64 H SER 64 -5.424 -0.309 -8.181 501 HA SER 64 HA SER 64 -7.820 0.509 -9.516 502 1HB SER 64 2HB SER 64 -7.003 -1.787 -9.384 503 2HB SER 64 3HB SER 64 -7.417 -1.855 -7.658 504 HG SER 64 HG SER 64 -9.067 -2.705 -9.032 505 H LEU 65 H LEU 65 -7.011 0.262 -6.022 506 HA LEU 65 HA LEU 65 -9.653 0.891 -5.093 507 1HB LEU 65 2HB LEU 65 -6.935 1.142 -3.770 508 2HB LEU 65 3HB LEU 65 -8.444 1.480 -2.928 509 HG LEU 65 HG LEU 65 -7.916 -1.219 -4.226 510 1HD1 LEU 65 1HD1 LEU 65 -7.333 -2.003 -1.956 511 2HD1 LEU 65 2HD1 LEU 65 -6.185 -0.774 -2.512 512 3HD1 LEU 65 3HD1 LEU 65 -7.451 -0.338 -1.347 513 1HD2 LEU 65 1HD2 LEU 65 -10.308 -0.709 -3.739 514 2HD2 LEU 65 2HD2 LEU 65 -9.670 -1.996 -2.721 515 3HD2 LEU 65 3HD2 LEU 65 -9.867 -0.367 -2.049 516 H GLY 66 H GLY 66 -6.891 2.901 -6.021 517 1HA GLY 66 2HA GLY 66 -7.738 4.602 -7.553 518 2HA GLY 66 1HA GLY 66 -8.935 5.098 -6.358 519 H PHE 67 H PHE 67 -5.395 4.494 -6.365 520 HA PHE 67 HA PHE 67 -4.902 7.281 -5.423 521 1HB PHE 67 2HB PHE 67 -3.763 4.769 -4.148 522 2HB PHE 67 3HB PHE 67 -3.405 6.421 -3.671 523 HD1 PHE 67 1HD PHE 67 -5.829 3.666 -3.441 524 HD2 PHE 67 2HD PHE 67 -5.183 7.840 -2.648 525 HE1 PHE 67 1HE PHE 67 -7.893 3.726 -2.072 526 HE2 PHE 67 2HE PHE 67 -7.355 7.951 -1.453 527 HZ PHE 67 HZ PHE 67 -8.640 5.867 -1.035 528 H GLU 68 H GLU 68 -2.384 7.608 -5.471 529 HA GLU 68 HA GLU 68 -1.392 6.475 -8.062 530 1HB GLU 68 2HB GLU 68 -1.754 8.925 -7.972 531 2HB GLU 68 3HB GLU 68 -0.667 9.003 -6.598 532 1HG GLU 68 2HG GLU 68 1.020 7.864 -8.435 533 2HG GLU 68 3HG GLU 68 -0.027 8.815 -9.476 534 HA PRO 69 HA PRO 69 1.378 4.576 -4.865 535 1HB PRO 69 2HB PRO 69 1.535 2.038 -5.827 536 2HB PRO 69 3HB PRO 69 0.201 2.647 -4.816 537 1HG PRO 69 2HG PRO 69 0.261 2.437 -7.821 538 2HG PRO 69 3HG PRO 69 -1.005 1.868 -6.681 539 1HD PRO 69 2HD PRO 69 -1.200 4.230 -8.009 540 2HD PRO 69 3HD PRO 69 -1.745 4.058 -6.312 541 H SER 70 H SER 70 2.654 6.264 -5.997 542 HA SER 70 HA SER 70 4.502 5.450 -8.110 543 1HB SER 70 2HB SER 70 4.564 7.768 -6.175 544 2HB SER 70 3HB SER 70 5.596 7.585 -7.607 545 HG SER 70 HG SER 70 3.054 8.550 -7.515 546 H LEU 71 H LEU 71 6.061 4.051 -7.702 547 HA LEU 71 HA LEU 71 6.922 3.332 -5.047 548 1HB LEU 71 2HB LEU 71 6.657 1.910 -7.233 549 2HB LEU 71 3HB LEU 71 8.313 2.406 -7.585 550 HG LEU 71 HG LEU 71 7.266 1.093 -5.052 551 1HD1 LEU 71 1HD1 LEU 71 7.265 -0.404 -7.063 552 2HD1 LEU 71 2HD1 LEU 71 8.997 -0.086 -7.281 553 3HD1 LEU 71 3HD1 LEU 71 8.426 -0.951 -5.838 554 1HD2 LEU 71 1HD2 LEU 71 9.241 2.342 -4.421 555 2HD2 LEU 71 2HD2 LEU 71 9.727 0.651 -4.574 556 3HD2 LEU 71 3HD2 LEU 71 10.113 1.791 -5.875 557 H VAL 72 H VAL 72 7.469 5.616 -4.617 558 HA VAL 72 HA VAL 72 9.896 6.724 -5.825 559 HB VAL 72 HB VAL 72 8.148 7.673 -3.517 560 1HG1 VAL 72 1HG1 VAL 72 10.354 8.692 -3.233 561 2HG1 VAL 72 2HG1 VAL 72 10.416 9.115 -4.958 562 3HG1 VAL 72 3HG1 VAL 72 9.243 9.899 -3.879 563 1HG2 VAL 72 1HG2 VAL 72 7.020 7.667 -5.726 564 2HG2 VAL 72 2HG2 VAL 72 7.307 9.317 -5.165 565 3HG2 VAL 72 3HG2 VAL 72 8.351 8.610 -6.417 566 H LYS 73 H LYS 73 9.185 5.062 -2.762 567 HA LYS 73 HA LYS 73 11.473 6.129 -1.527 568 1HB LYS 73 2HB LYS 73 9.508 5.174 -0.367 569 2HB LYS 73 3HB LYS 73 10.081 3.543 -0.739 570 1HG LYS 73 2HG LYS 73 11.822 5.606 0.683 571 2HG LYS 73 3HG LYS 73 10.657 4.657 1.574 572 1HD LYS 73 2HD LYS 73 11.780 2.729 1.463 573 2HD LYS 73 3HD LYS 73 12.354 2.973 -0.167 574 1HE LYS 73 2HE LYS 73 13.555 4.194 2.361 575 2HE LYS 73 3HE LYS 73 14.232 2.891 1.385 576 1HZ LYS 73 1HZ LYS 73 14.260 4.561 -0.494 577 2HZ LYS 73 2HZ LYS 73 13.984 5.725 0.585 578 3HZ LYS 73 3HZ LYS 73 15.367 4.878 0.586 579 H ILE 74 H ILE 74 11.123 3.026 -3.345 580 HA ILE 74 HA ILE 74 13.894 2.293 -2.698 581 HB ILE 74 HB ILE 74 12.039 1.099 -4.768 582 1HG1 ILE 74 2HG1 ILE 74 11.066 0.885 -2.492 583 2HG1 ILE 74 3HG1 ILE 74 11.554 -0.663 -3.165 584 1HG2 ILE 74 1HG2 ILE 74 13.560 -0.891 -4.528 585 2HG2 ILE 74 2HG2 ILE 74 14.287 0.513 -5.311 586 3HG2 ILE 74 3HG2 ILE 74 14.684 0.144 -3.625 587 1HD1 ILE 74 1HD1 ILE 74 12.117 -0.478 -0.782 588 2HD1 ILE 74 2HD1 ILE 74 13.578 -0.683 -1.757 589 3HD1 ILE 74 3HD1 ILE 74 13.157 0.913 -1.100 590 H GLU 75 H GLU 75 15.700 2.348 -4.190 591 HA GLU 75 HA GLU 75 15.728 4.273 -6.314 592 1HB GLU 75 2HB GLU 75 16.973 5.904 -4.842 593 2HB GLU 75 3HB GLU 75 15.259 5.761 -4.423 594 1HG GLU 75 2HG GLU 75 15.979 4.083 -2.588 595 2HG GLU 75 3HG GLU 75 17.640 4.580 -2.935 Start of MODEL 7 1 1H MET 1 H1 MET 1 10.646 -14.805 2.702 2 2H MET 1 H2 MET 1 11.338 -15.941 3.662 3 3H MET 1 H3 MET 1 10.221 -16.299 2.440 4 HA MET 1 HA MET 1 8.503 -15.185 3.636 5 1HB MET 1 2HB MET 1 10.056 -17.000 5.543 6 2HB MET 1 3HB MET 1 8.372 -16.494 5.761 7 1HG MET 1 2HG MET 1 7.772 -17.582 3.610 8 2HG MET 1 3HG MET 1 9.421 -18.202 3.462 9 1HE MET 1 1HE MET 1 9.583 -20.776 6.426 10 2HE MET 1 2HE MET 1 10.482 -20.003 5.100 11 3HE MET 1 3HE MET 1 10.053 -19.072 6.560 12 H GLY 2 H GLY 2 7.922 -13.653 5.228 13 1HA GLY 2 2HA GLY 2 8.401 -12.067 6.969 14 2HA GLY 2 1HA GLY 2 10.141 -12.204 6.651 15 H ASP 3 H ASP 3 8.366 -9.783 6.536 16 HA ASP 3 HA ASP 3 8.075 -9.191 3.681 17 1HB ASP 3 2HB ASP 3 6.836 -7.327 4.417 18 2HB ASP 3 3HB ASP 3 6.364 -8.645 5.493 19 H GLY 4 H GLY 4 8.533 -6.506 3.671 20 1HA GLY 4 2HA GLY 4 11.089 -5.783 4.809 21 2HA GLY 4 1HA GLY 4 11.174 -5.978 3.045 22 H VAL 5 H VAL 5 8.597 -4.795 5.210 23 HA VAL 5 HA VAL 5 7.070 -3.218 4.662 24 HB VAL 5 HB VAL 5 7.275 -1.759 6.248 25 1HG1 VAL 5 1HG1 VAL 5 8.960 -2.298 7.934 26 2HG1 VAL 5 2HG1 VAL 5 8.323 -3.764 7.181 27 3HG1 VAL 5 3HG1 VAL 5 9.932 -3.154 6.727 28 1HG2 VAL 5 1HG2 VAL 5 10.024 -0.866 5.360 29 2HG2 VAL 5 2HG2 VAL 5 8.465 0.010 5.217 30 3HG2 VAL 5 3HG2 VAL 5 9.167 -0.280 6.800 31 H LEU 6 H LEU 6 6.674 -3.232 2.495 32 HA LEU 6 HA LEU 6 8.334 -1.691 0.659 33 1HB LEU 6 2HB LEU 6 7.073 -3.776 0.134 34 2HB LEU 6 3HB LEU 6 5.565 -2.856 0.287 35 HG LEU 6 HG LEU 6 6.196 -3.235 -2.030 36 1HD1 LEU 6 1HD1 LEU 6 5.011 -1.106 -1.421 37 2HD1 LEU 6 2HD1 LEU 6 6.583 -0.277 -1.539 38 3HD1 LEU 6 3HD1 LEU 6 5.894 -1.087 -2.952 39 1HD2 LEU 6 1HD2 LEU 6 8.179 -2.405 -3.071 40 2HD2 LEU 6 2HD2 LEU 6 8.699 -1.567 -1.599 41 3HD2 LEU 6 3HD2 LEU 6 8.671 -3.345 -1.657 42 H GLU 7 H GLU 7 8.330 0.459 1.377 43 HA GLU 7 HA GLU 7 5.846 1.932 1.737 44 1HB GLU 7 2HB GLU 7 8.617 3.035 1.230 45 2HB GLU 7 3HB GLU 7 7.155 3.875 1.802 46 1HG GLU 7 2HG GLU 7 7.201 2.210 3.779 47 2HG GLU 7 3HG GLU 7 8.858 1.853 3.257 48 H LEU 8 H LEU 8 4.522 2.402 0.131 49 HA LEU 8 HA LEU 8 5.716 3.481 -2.367 50 1HB LEU 8 2HB LEU 8 3.658 3.018 -3.566 51 2HB LEU 8 3HB LEU 8 4.540 1.597 -3.047 52 HG LEU 8 HG LEU 8 2.848 1.509 -1.032 53 1HD1 LEU 8 1HD1 LEU 8 1.413 3.216 -3.100 54 2HD1 LEU 8 2HD1 LEU 8 0.575 2.345 -1.806 55 3HD1 LEU 8 3HD1 LEU 8 1.702 3.656 -1.417 56 1HD2 LEU 8 1HD2 LEU 8 1.317 0.175 -2.439 57 2HD2 LEU 8 2HD2 LEU 8 2.049 0.865 -3.900 58 3HD2 LEU 8 3HD2 LEU 8 3.011 -0.172 -2.824 59 H VAL 9 H VAL 9 5.287 5.537 -2.805 60 HA VAL 9 HA VAL 9 3.811 7.128 -0.776 61 HB VAL 9 HB VAL 9 5.944 7.805 -2.782 62 1HG1 VAL 9 1HG1 VAL 9 5.541 10.196 -2.369 63 2HG1 VAL 9 2HG1 VAL 9 4.164 9.485 -3.231 64 3HG1 VAL 9 3HG1 VAL 9 4.061 9.827 -1.484 65 1HG2 VAL 9 1HG2 VAL 9 6.340 7.241 -0.301 66 2HG2 VAL 9 2HG2 VAL 9 6.944 8.836 -0.814 67 3HG2 VAL 9 3HG2 VAL 9 5.427 8.702 0.100 68 H VAL 10 H VAL 10 1.926 8.090 -1.370 69 HA VAL 10 HA VAL 10 0.726 7.487 -3.959 70 HB VAL 10 HB VAL 10 0.769 5.360 -2.829 71 1HG1 VAL 10 1HG1 VAL 10 -0.453 4.808 -0.884 72 2HG1 VAL 10 2HG1 VAL 10 0.695 6.099 -0.452 73 3HG1 VAL 10 3HG1 VAL 10 -1.037 6.460 -0.694 74 1HG2 VAL 10 1HG2 VAL 10 -1.509 4.747 -3.085 75 2HG2 VAL 10 2HG2 VAL 10 -2.066 6.419 -2.829 76 3HG2 VAL 10 3HG2 VAL 10 -1.162 5.989 -4.293 77 H ARG 11 H ARG 11 -0.346 9.271 -4.376 78 HA ARG 11 HA ARG 11 -1.597 10.874 -2.179 79 1HB ARG 11 2HB ARG 11 -1.186 11.686 -5.057 80 2HB ARG 11 3HB ARG 11 -1.669 12.711 -3.709 81 1HG ARG 11 2HG ARG 11 0.556 12.348 -2.633 82 2HG ARG 11 3HG ARG 11 1.068 11.390 -4.033 83 1HD ARG 11 2HD ARG 11 0.240 14.315 -4.049 84 2HD ARG 11 3HD ARG 11 1.894 13.678 -4.228 85 HE ARG 11 HE ARG 11 0.557 12.388 -6.245 86 1HH1 ARG 11 2HH2 ARG 11 1.202 15.750 -5.537 87 2HH1 ARG 11 1HH2 ARG 11 0.700 16.342 -7.097 88 1HH2 ARG 11 2HH1 ARG 11 -0.399 13.116 -8.164 89 2HH2 ARG 11 1HH1 ARG 11 -0.118 14.743 -8.716 90 H GLY 12 H GLY 12 -3.698 11.969 -3.176 91 1HA GLY 12 2HA GLY 12 -5.677 11.670 -4.477 92 2HA GLY 12 1HA GLY 12 -5.385 9.934 -4.583 93 H MET 13 H MET 13 -4.644 9.582 -1.748 94 HA MET 13 HA MET 13 -7.191 9.304 -0.552 95 1HB MET 13 2HB MET 13 -6.080 8.689 1.434 96 2HB MET 13 3HB MET 13 -5.132 8.044 0.096 97 1HG MET 13 2HG MET 13 -3.487 9.916 0.490 98 2HG MET 13 3HG MET 13 -4.537 10.498 1.790 99 1HE MET 13 1HE MET 13 -2.780 7.161 0.669 100 2HE MET 13 2HE MET 13 -1.552 8.417 0.991 101 3HE MET 13 3HE MET 13 -1.656 6.994 2.048 102 H THR 14 H THR 14 -8.543 10.820 0.288 103 HA THR 14 HA THR 14 -7.483 13.467 1.148 104 HB THR 14 HB THR 14 -7.716 13.531 -1.307 105 HG1 THR 14 1HG THR 14 -9.577 15.010 0.216 106 1HG2 THR 14 1HG2 THR 14 -9.554 11.874 -1.609 107 2HG2 THR 14 2HG2 THR 14 -10.692 13.005 -0.846 108 3HG2 THR 14 3HG2 THR 14 -9.906 13.427 -2.376 109 H CYS 15 H CYS 15 -9.016 11.140 2.425 110 HA CYS 15 HA CYS 15 -10.639 12.814 4.091 111 1HB CYS 15 2HB CYS 15 -12.360 12.527 2.405 112 2HB CYS 15 3HB CYS 15 -12.057 10.779 2.284 113 HG CYS 15 HG CYS 15 -13.048 10.034 4.402 114 H ALA 16 H ALA 16 -10.880 11.709 6.090 115 HA ALA 16 HA ALA 16 -8.839 10.098 6.912 116 1HB ALA 16 1HB ALA 16 -10.387 11.225 8.457 117 2HB ALA 16 2HB ALA 16 -11.683 10.085 8.017 118 3HB ALA 16 3HB ALA 16 -10.239 9.500 8.862 119 H SER 17 H SER 17 -12.085 8.914 5.964 120 HA SER 17 HA SER 17 -12.043 6.264 6.235 121 1HB SER 17 2HB SER 17 -12.835 7.510 3.585 122 2HB SER 17 3HB SER 17 -13.683 6.275 4.530 123 HG SER 17 HG SER 17 -14.265 7.879 5.999 124 H CYS 18 H CYS 18 -10.298 8.032 3.660 125 HA CYS 18 HA CYS 18 -9.593 5.851 1.971 126 1HB CYS 18 2HB CYS 18 -8.038 8.409 2.512 127 2HB CYS 18 3HB CYS 18 -7.809 7.280 1.156 128 HG CYS 18 HG CYS 18 -10.476 9.038 1.914 129 H VAL 19 H VAL 19 -8.037 7.174 4.918 130 HA VAL 19 HA VAL 19 -5.549 5.890 4.661 131 HB VAL 19 HB VAL 19 -7.080 6.677 7.186 132 1HG1 VAL 19 1HG1 VAL 19 -4.966 6.778 8.321 133 2HG1 VAL 19 2HG1 VAL 19 -5.160 5.150 7.662 134 3HG1 VAL 19 3HG1 VAL 19 -4.087 6.317 6.860 135 1HG2 VAL 19 1HG2 VAL 19 -6.791 8.606 5.670 136 2HG2 VAL 19 2HG2 VAL 19 -5.738 8.746 7.082 137 3HG2 VAL 19 3HG2 VAL 19 -5.060 8.234 5.520 138 H HIS 20 H HIS 20 -8.429 5.006 6.631 139 HA HIS 20 HA HIS 20 -7.404 2.423 7.273 140 1HB HIS 20 2HB HIS 20 -8.885 2.603 8.847 141 2HB HIS 20 3HB HIS 20 -9.472 4.114 8.184 142 HD1 HIS 20 1HD HIS 20 -11.101 1.608 9.659 143 HD2 HIS 20 2HD HIS 20 -11.205 3.034 5.713 144 HE1 HIS 20 1HE HIS 20 -13.409 1.078 8.744 145 H LYS 21 H LYS 21 -9.190 3.713 4.503 146 HA LYS 21 HA LYS 21 -10.242 1.251 3.654 147 1HB LYS 21 2HB LYS 21 -10.498 3.755 2.649 148 2HB LYS 21 3HB LYS 21 -9.370 3.108 1.478 149 1HG LYS 21 2HG LYS 21 -12.130 2.057 2.215 150 2HG LYS 21 3HG LYS 21 -11.614 2.764 0.678 151 1HD LYS 21 2HD LYS 21 -10.042 0.794 0.382 152 2HD LYS 21 3HD LYS 21 -10.767 0.071 1.840 153 1HE LYS 21 2HE LYS 21 -13.020 0.202 0.712 154 2HE LYS 21 3HE LYS 21 -12.185 0.658 -0.778 155 1HZ LYS 21 1HZ LYS 21 -12.547 -1.678 -0.755 156 2HZ LYS 21 2HZ LYS 21 -10.928 -1.510 -0.524 157 3HZ LYS 21 3HZ LYS 21 -11.897 -1.860 0.738 158 H ILE 22 H ILE 22 -7.154 2.878 2.865 159 HA ILE 22 HA ILE 22 -6.358 0.977 0.881 160 HB ILE 22 HB ILE 22 -4.649 2.812 2.610 161 1HG1 ILE 22 2HG1 ILE 22 -5.544 3.119 -0.278 162 2HG1 ILE 22 3HG1 ILE 22 -6.399 3.853 1.084 163 1HG2 ILE 22 1HG2 ILE 22 -3.000 2.480 0.669 164 2HG2 ILE 22 2HG2 ILE 22 -3.253 1.041 1.668 165 3HG2 ILE 22 3HG2 ILE 22 -4.067 1.194 0.095 166 1HD1 ILE 22 1HD1 ILE 22 -4.433 5.173 1.681 167 2HD1 ILE 22 2HD1 ILE 22 -3.564 4.552 0.253 168 3HD1 ILE 22 3HD1 ILE 22 -5.028 5.516 0.052 169 H GLU 23 H GLU 23 -5.379 1.343 4.272 170 HA GLU 23 HA GLU 23 -4.142 -1.039 4.945 171 1HB GLU 23 2HB GLU 23 -6.050 0.904 6.223 172 2HB GLU 23 3HB GLU 23 -5.765 -0.571 7.109 173 1HG GLU 23 2HG GLU 23 -3.447 -0.106 7.360 174 2HG GLU 23 3HG GLU 23 -3.421 0.990 5.971 175 H SER 24 H SER 24 -7.665 -0.550 5.199 176 HA SER 24 HA SER 24 -8.313 -3.152 5.963 177 1HB SER 24 2HB SER 24 -9.850 -1.306 6.222 178 2HB SER 24 3HB SER 24 -9.996 -1.116 4.466 179 HG SER 24 HG SER 24 -10.783 -3.391 5.978 180 H SER 25 H SER 25 -8.330 -1.733 2.736 181 HA SER 25 HA SER 25 -9.363 -3.969 1.320 182 1HB SER 25 2HB SER 25 -8.885 -1.317 0.726 183 2HB SER 25 3HB SER 25 -7.603 -2.089 -0.193 184 HG SER 25 HG SER 25 -9.231 -3.314 -1.218 185 H LEU 26 H LEU 26 -6.056 -3.046 2.302 186 HA LEU 26 HA LEU 26 -4.789 -5.060 0.651 187 1HB LEU 26 2HB LEU 26 -3.871 -3.131 2.701 188 2HB LEU 26 3HB LEU 26 -2.820 -4.482 2.225 189 HG LEU 26 HG LEU 26 -4.180 -2.816 0.121 190 1HD1 LEU 26 1HD1 LEU 26 -2.971 -1.270 1.595 191 2HD1 LEU 26 2HD1 LEU 26 -1.505 -2.258 1.437 192 3HD1 LEU 26 3HD1 LEU 26 -2.155 -1.403 0.020 193 1HD2 LEU 26 1HD2 LEU 26 -3.021 -4.982 -0.551 194 2HD2 LEU 26 2HD2 LEU 26 -2.326 -3.537 -1.275 195 3HD2 LEU 26 3HD2 LEU 26 -1.525 -4.310 0.117 196 H THR 27 H THR 27 -5.629 -4.684 4.140 197 HA THR 27 HA THR 27 -4.478 -7.148 4.988 198 HB THR 27 HB THR 27 -5.949 -6.692 7.029 199 HG1 THR 27 1HG THR 27 -7.453 -5.449 5.587 200 1HG2 THR 27 1HG2 THR 27 -4.716 -4.632 7.675 201 2HG2 THR 27 2HG2 THR 27 -3.652 -5.855 6.959 202 3HG2 THR 27 3HG2 THR 27 -4.154 -4.442 6.004 203 H LYS 28 H LYS 28 -5.313 -8.428 3.290 204 HA LYS 28 HA LYS 28 -7.242 -10.345 3.692 205 1HB LYS 28 2HB LYS 28 -9.138 -9.699 2.239 206 2HB LYS 28 3HB LYS 28 -9.063 -8.737 3.681 207 1HG LYS 28 2HG LYS 28 -8.696 -6.821 2.583 208 2HG LYS 28 3HG LYS 28 -7.512 -7.496 1.482 209 1HD LYS 28 2HD LYS 28 -10.511 -7.987 1.133 210 2HD LYS 28 3HD LYS 28 -9.683 -6.560 0.524 211 1HE LYS 28 2HE LYS 28 -9.783 -8.010 -1.318 212 2HE LYS 28 3HE LYS 28 -8.101 -7.978 -0.794 213 1HZ LYS 28 1HZ LYS 28 -10.047 -10.123 -0.182 214 2HZ LYS 28 2HZ LYS 28 -8.883 -10.186 -1.342 215 3HZ LYS 28 3HZ LYS 28 -8.456 -10.147 0.230 216 H HIS 29 H HIS 29 -5.086 -8.647 1.414 217 HA HIS 29 HA HIS 29 -5.630 -10.484 -0.759 218 1HB HIS 29 2HB HIS 29 -3.194 -8.805 -0.068 219 2HB HIS 29 3HB HIS 29 -3.327 -9.897 -1.465 220 HD1 HIS 29 1HD HIS 29 -3.822 -8.663 -3.613 221 HD2 HIS 29 2HD HIS 29 -5.519 -6.940 -0.160 222 HE1 HIS 29 1HE HIS 29 -5.109 -6.632 -4.369 223 H ARG 30 H ARG 30 -2.362 -10.623 0.437 224 HA ARG 30 HA ARG 30 -2.424 -13.069 1.891 225 1HB ARG 30 2HB ARG 30 -2.167 -13.157 -1.097 226 2HB ARG 30 3HB ARG 30 -0.820 -13.906 -0.239 227 1HG ARG 30 2HG ARG 30 -2.327 -15.363 1.014 228 2HG ARG 30 3HG ARG 30 -3.737 -14.639 0.217 229 1HD ARG 30 2HD ARG 30 -2.908 -15.367 -1.977 230 2HD ARG 30 3HD ARG 30 -1.468 -16.087 -1.206 231 HE ARG 30 HE ARG 30 -3.758 -17.163 0.054 232 1HH1 ARG 30 2HH2 ARG 30 -2.214 -17.224 -3.107 233 2HH1 ARG 30 1HH2 ARG 30 -2.774 -18.807 -3.550 234 1HH2 ARG 30 2HH1 ARG 30 -4.526 -19.285 -0.474 235 2HH2 ARG 30 1HH1 ARG 30 -4.130 -20.007 -1.999 236 H GLY 31 H GLY 31 -0.117 -13.539 2.477 237 1HA GLY 31 2HA GLY 31 2.036 -12.951 2.953 238 2HA GLY 31 1HA GLY 31 2.014 -11.755 1.647 239 H ILE 32 H ILE 32 0.203 -9.930 2.323 240 HA ILE 32 HA ILE 32 1.224 -8.166 4.085 241 HB ILE 32 HB ILE 32 -0.430 -7.807 2.378 242 1HG1 ILE 32 2HG1 ILE 32 -0.211 -5.926 3.683 243 2HG1 ILE 32 3HG1 ILE 32 -1.950 -6.186 3.505 244 1HG2 ILE 32 1HG2 ILE 32 -1.922 -9.779 3.090 245 2HG2 ILE 32 2HG2 ILE 32 -2.649 -8.604 4.217 246 3HG2 ILE 32 3HG2 ILE 32 -2.634 -8.280 2.472 247 1HD1 ILE 32 1HD1 ILE 32 -1.501 -5.530 5.779 248 2HD1 ILE 32 2HD1 ILE 32 -1.902 -7.256 5.823 249 3HD1 ILE 32 3HD1 ILE 32 -0.202 -6.726 5.878 250 H LEU 33 H LEU 33 1.973 -8.805 5.966 251 HA LEU 33 HA LEU 33 0.412 -10.131 8.066 252 1HB LEU 33 2HB LEU 33 3.095 -8.686 8.223 253 2HB LEU 33 3HB LEU 33 2.425 -9.820 9.399 254 HG LEU 33 HG LEU 33 3.361 -10.475 6.567 255 1HD1 LEU 33 1HD1 LEU 33 5.184 -9.962 8.124 256 2HD1 LEU 33 2HD1 LEU 33 4.554 -11.163 9.276 257 3HD1 LEU 33 3HD1 LEU 33 5.166 -11.679 7.688 258 1HD2 LEU 33 1HD2 LEU 33 2.309 -12.322 8.766 259 2HD2 LEU 33 2HD2 LEU 33 1.505 -11.984 7.216 260 3HD2 LEU 33 3HD2 LEU 33 3.046 -12.845 7.235 261 H TYR 34 H TYR 34 1.670 -6.885 7.236 262 HA TYR 34 HA TYR 34 -0.334 -5.615 8.988 263 1HB TYR 34 2HB TYR 34 1.725 -6.013 10.364 264 2HB TYR 34 3HB TYR 34 2.662 -5.102 9.198 265 HD1 TYR 34 HD1 TYR 34 -0.067 -4.851 11.721 266 HD2 TYR 34 HD2 TYR 34 2.694 -2.698 9.203 267 HE1 TYR 34 HE1 TYR 34 -0.622 -2.740 12.906 268 HE2 TYR 34 HE2 TYR 34 2.175 -0.614 10.418 269 HH TYR 34 HH TYR 34 0.435 0.368 11.700 270 H CYS 35 H CYS 35 -0.743 -3.415 8.395 271 HA CYS 35 HA CYS 35 0.672 -2.332 6.039 272 1HB CYS 35 2HB CYS 35 -2.342 -2.603 6.320 273 2HB CYS 35 3HB CYS 35 -1.626 -1.203 5.527 274 HG CYS 35 HG CYS 35 -2.261 -2.600 3.653 275 H SER 36 H SER 36 0.792 0.053 6.294 276 HA SER 36 HA SER 36 -1.326 1.240 7.814 277 1HB SER 36 2HB SER 36 1.499 1.898 8.742 278 2HB SER 36 3HB SER 36 0.040 2.816 9.146 279 HG SER 36 HG SER 36 -0.381 0.237 9.684 280 H VAL 37 H VAL 37 -1.910 3.192 6.812 281 HA VAL 37 HA VAL 37 0.178 4.464 5.119 282 HB VAL 37 HB VAL 37 -1.449 4.967 3.478 283 1HG1 VAL 37 1HG1 VAL 37 -0.976 2.391 3.795 284 2HG1 VAL 37 2HG1 VAL 37 -2.643 2.349 4.390 285 3HG1 VAL 37 3HG1 VAL 37 -2.304 2.949 2.765 286 1HG2 VAL 37 1HG2 VAL 37 -3.220 5.889 4.802 287 2HG2 VAL 37 2HG2 VAL 37 -3.889 4.570 3.839 288 3HG2 VAL 37 3HG2 VAL 37 -3.554 4.300 5.556 289 H ALA 38 H ALA 38 -0.240 6.817 4.722 290 HA ALA 38 HA ALA 38 -1.738 8.262 6.776 291 1HB ALA 38 1HB ALA 38 0.268 9.519 7.567 292 2HB ALA 38 2HB ALA 38 0.226 7.826 8.105 293 3HB ALA 38 3HB ALA 38 1.294 8.296 6.767 294 H LEU 39 H LEU 39 -2.247 10.262 6.127 295 HA LEU 39 HA LEU 39 -1.838 10.793 3.290 296 1HB LEU 39 2HB LEU 39 -3.551 12.415 3.466 297 2HB LEU 39 3HB LEU 39 -4.092 10.892 4.152 298 HG LEU 39 HG LEU 39 -3.029 12.930 6.102 299 1HD1 LEU 39 1HD1 LEU 39 -4.343 14.318 4.571 300 2HD1 LEU 39 2HD1 LEU 39 -5.702 13.177 4.673 301 3HD1 LEU 39 3HD1 LEU 39 -5.201 14.104 6.105 302 1HD2 LEU 39 1HD2 LEU 39 -3.946 10.716 6.885 303 2HD2 LEU 39 2HD2 LEU 39 -4.895 12.089 7.459 304 3HD2 LEU 39 3HD2 LEU 39 -5.486 11.117 6.100 305 H ALA 40 H ALA 40 -0.780 12.302 6.319 306 HA ALA 40 HA ALA 40 -0.037 14.827 5.241 307 1HB ALA 40 1HB ALA 40 1.156 13.255 7.574 308 2HB ALA 40 2HB ALA 40 1.396 14.985 7.247 309 3HB ALA 40 3HB ALA 40 -0.220 14.379 7.661 310 H THR 41 H THR 41 1.575 11.682 5.432 311 HA THR 41 HA THR 41 3.920 12.709 3.905 312 HB THR 41 HB THR 41 4.424 11.540 5.938 313 HG1 THR 41 1HG THR 41 5.008 10.395 3.453 314 1HG2 THR 41 1HG2 THR 41 3.940 9.054 6.096 315 2HG2 THR 41 2HG2 THR 41 2.598 10.158 6.411 316 3HG2 THR 41 3HG2 THR 41 2.693 9.307 4.854 317 H ASN 42 H ASN 42 0.876 11.397 3.318 318 HA ASN 42 HA ASN 42 -0.068 10.071 1.747 319 1HB ASN 42 2HB ASN 42 0.812 10.837 -0.670 320 2HB ASN 42 3HB ASN 42 -0.325 11.731 0.322 321 1HD2 ASN 42 1HD2 ASN 42 0.674 13.341 1.898 322 2HD2 ASN 42 2HD2 ASN 42 1.961 14.334 1.230 323 H LYS 43 H LYS 43 1.119 8.411 2.928 324 HA LYS 43 HA LYS 43 2.882 6.838 1.103 325 1HB LYS 43 2HB LYS 43 4.152 8.163 2.811 326 2HB LYS 43 3HB LYS 43 3.277 7.279 4.075 327 1HG LYS 43 2HG LYS 43 4.225 5.141 3.251 328 2HG LYS 43 3HG LYS 43 5.151 6.010 2.020 329 1HD LYS 43 2HD LYS 43 5.293 6.582 5.024 330 2HD LYS 43 3HD LYS 43 6.323 5.389 4.272 331 1HE LYS 43 2HE LYS 43 6.268 8.291 3.270 332 2HE LYS 43 3HE LYS 43 7.244 7.812 4.641 333 1HZ LYS 43 1HZ LYS 43 8.519 7.720 2.653 334 2HZ LYS 43 2HZ LYS 43 8.363 6.204 3.250 335 3HZ LYS 43 3HZ LYS 43 7.474 6.653 1.960 336 H ALA 44 H ALA 44 2.583 4.641 1.206 337 HA ALA 44 HA ALA 44 0.958 3.480 3.399 338 1HB ALA 44 1HB ALA 44 -0.461 3.512 1.329 339 2HB ALA 44 2HB ALA 44 0.847 2.680 0.465 340 3HB ALA 44 3HB ALA 44 0.021 1.857 1.787 341 H HIS 45 H HIS 45 2.198 2.076 4.488 342 HA HIS 45 HA HIS 45 4.453 0.810 3.009 343 1HB HIS 45 2HB HIS 45 5.725 0.632 4.838 344 2HB HIS 45 3HB HIS 45 5.045 2.245 5.028 345 HD1 HIS 45 1HD HIS 45 4.253 2.615 7.494 346 HD2 HIS 45 2HD HIS 45 4.455 -1.385 6.261 347 HE1 HIS 45 1HE HIS 45 3.921 1.196 9.591 348 H ILE 46 H ILE 46 4.256 -1.288 2.588 349 HA ILE 46 HA ILE 46 2.117 -2.824 4.010 350 HB ILE 46 HB ILE 46 3.264 -3.394 1.260 351 1HG1 ILE 46 2HG1 ILE 46 0.814 -2.801 0.584 352 2HG1 ILE 46 3HG1 ILE 46 0.782 -1.842 2.070 353 1HG2 ILE 46 1HG2 ILE 46 1.496 -5.006 1.076 354 2HG2 ILE 46 2HG2 ILE 46 2.196 -5.289 2.673 355 3HG2 ILE 46 3HG2 ILE 46 0.694 -4.366 2.514 356 1HD1 ILE 46 1HD1 ILE 46 1.309 -0.557 -0.027 357 2HD1 ILE 46 2HD1 ILE 46 2.597 -0.409 1.165 358 3HD1 ILE 46 3HD1 ILE 46 2.793 -1.510 -0.214 359 H LYS 47 H LYS 47 2.788 -4.398 5.261 360 HA LYS 47 HA LYS 47 5.547 -5.510 4.981 361 1HB LYS 47 2HB LYS 47 3.542 -5.762 7.251 362 2HB LYS 47 3HB LYS 47 5.134 -6.494 7.164 363 1HG LYS 47 2HG LYS 47 5.927 -3.986 6.752 364 2HG LYS 47 3HG LYS 47 4.371 -3.594 7.526 365 1HD LYS 47 2HD LYS 47 5.064 -5.265 9.368 366 2HD LYS 47 3HD LYS 47 6.638 -5.352 8.556 367 1HE LYS 47 2HE LYS 47 6.751 -2.776 8.810 368 2HE LYS 47 3HE LYS 47 5.337 -2.897 9.860 369 1HZ LYS 47 1HZ LYS 47 7.397 -2.896 11.097 370 2HZ LYS 47 2HZ LYS 47 6.630 -4.341 11.298 371 3HZ LYS 47 3HZ LYS 47 7.931 -4.233 10.294 372 H TYR 48 H TYR 48 4.886 -6.684 3.030 373 HA TYR 48 HA TYR 48 3.350 -9.125 3.660 374 1HB TYR 48 2HB TYR 48 2.535 -9.185 1.412 375 2HB TYR 48 3HB TYR 48 2.182 -7.572 2.012 376 HD1 TYR 48 HD1 TYR 48 3.961 -9.554 -0.443 377 HD2 TYR 48 HD2 TYR 48 3.986 -5.690 1.388 378 HE1 TYR 48 HE1 TYR 48 4.907 -8.576 -2.529 379 HE2 TYR 48 HE2 TYR 48 5.223 -4.807 -0.512 380 HH TYR 48 HH TYR 48 6.201 -5.262 -2.556 381 H ASP 49 H ASP 49 4.323 -11.127 2.843 382 HA ASP 49 HA ASP 49 7.103 -11.124 2.410 383 1HB ASP 49 2HB ASP 49 5.112 -13.266 1.630 384 2HB ASP 49 3HB ASP 49 6.844 -13.480 1.917 385 HA PRO 50 HA PRO 50 6.582 -9.802 -1.923 386 1HB PRO 50 2HB PRO 50 9.217 -9.660 -2.717 387 2HB PRO 50 3HB PRO 50 8.427 -8.436 -1.681 388 1HG PRO 50 2HG PRO 50 10.115 -10.790 -0.785 389 2HG PRO 50 3HG PRO 50 10.273 -9.081 -0.286 390 1HD PRO 50 2HD PRO 50 8.943 -10.857 1.243 391 2HD PRO 50 3HD PRO 50 8.291 -9.202 1.034 392 H GLU 51 H GLU 51 8.306 -12.684 -0.938 393 HA GLU 51 HA GLU 51 8.848 -13.919 -3.353 394 1HB GLU 51 2HB GLU 51 7.943 -15.028 -0.671 395 2HB GLU 51 3HB GLU 51 8.603 -16.039 -1.961 396 1HG GLU 51 2HG GLU 51 10.754 -15.240 -1.722 397 2HG GLU 51 3HG GLU 51 10.252 -13.638 -1.185 398 H ILE 52 H ILE 52 5.675 -13.492 -1.867 399 HA ILE 52 HA ILE 52 4.497 -15.500 -3.755 400 HB ILE 52 HB ILE 52 2.531 -15.289 -2.032 401 1HG1 ILE 52 2HG1 ILE 52 4.852 -14.696 -0.173 402 2HG1 ILE 52 3HG1 ILE 52 3.728 -13.444 -0.711 403 1HG2 ILE 52 1HG2 ILE 52 3.505 -17.237 -0.857 404 2HG2 ILE 52 2HG2 ILE 52 3.862 -17.312 -2.578 405 3HG2 ILE 52 3HG2 ILE 52 5.120 -16.788 -1.441 406 1HD1 ILE 52 1HD1 ILE 52 3.039 -14.306 1.452 407 2HD1 ILE 52 2HD1 ILE 52 1.821 -14.710 0.229 408 3HD1 ILE 52 3HD1 ILE 52 2.943 -15.951 0.836 409 H ILE 53 H ILE 53 2.616 -12.999 -2.181 410 HA ILE 53 HA ILE 53 1.014 -12.513 -4.343 411 HB ILE 53 HB ILE 53 0.382 -11.875 -2.148 412 1HG1 ILE 53 2HG1 ILE 53 0.698 -9.321 -3.808 413 2HG1 ILE 53 3HG1 ILE 53 -0.560 -10.544 -3.997 414 1HG2 ILE 53 1HG2 ILE 53 2.723 -11.191 -1.337 415 2HG2 ILE 53 2HG2 ILE 53 2.389 -9.627 -2.128 416 3HG2 ILE 53 3HG2 ILE 53 1.394 -10.194 -0.785 417 1HD1 ILE 53 1HD1 ILE 53 -0.058 -8.699 -1.609 418 2HD1 ILE 53 2HD1 ILE 53 -1.469 -8.729 -2.662 419 3HD1 ILE 53 3HD1 ILE 53 -1.162 -10.088 -1.552 420 H GLY 54 H GLY 54 3.758 -10.513 -3.400 421 1HA GLY 54 2HA GLY 54 5.331 -9.502 -4.760 422 2HA GLY 54 1HA GLY 54 4.383 -9.874 -6.206 423 HA PRO 55 HA PRO 55 3.944 -5.400 -4.555 424 1HB PRO 55 2HB PRO 55 5.398 -4.035 -6.482 425 2HB PRO 55 3HB PRO 55 6.078 -4.683 -4.968 426 1HG PRO 55 2HG PRO 55 6.105 -5.975 -7.705 427 2HG PRO 55 3HG PRO 55 7.468 -5.790 -6.562 428 1HD PRO 55 2HD PRO 55 6.091 -8.120 -6.703 429 2HD PRO 55 3HD PRO 55 6.579 -7.480 -5.111 430 H ARG 56 H ARG 56 3.772 -6.646 -7.918 431 HA ARG 56 HA ARG 56 2.341 -4.502 -9.009 432 1HB ARG 56 2HB ARG 56 2.319 -7.451 -9.770 433 2HB ARG 56 3HB ARG 56 1.454 -6.195 -10.652 434 1HG ARG 56 2HG ARG 56 3.774 -4.937 -10.719 435 2HG ARG 56 3HG ARG 56 4.448 -6.523 -10.318 436 1HD ARG 56 2HD ARG 56 4.457 -6.225 -12.728 437 2HD ARG 56 3HD ARG 56 3.252 -7.469 -12.315 438 HE ARG 56 HE ARG 56 2.007 -4.859 -12.412 439 1HH1 ARG 56 2HH2 ARG 56 3.326 -7.297 -14.596 440 2HH1 ARG 56 1HH2 ARG 56 2.269 -6.890 -15.916 441 1HH2 ARG 56 2HH1 ARG 56 0.657 -4.321 -14.015 442 2HH2 ARG 56 1HH1 ARG 56 0.670 -5.089 -15.595 443 H ASP 57 H ASP 57 0.961 -7.382 -7.359 444 HA ASP 57 HA ASP 57 -1.755 -6.893 -7.955 445 1HB ASP 57 2HB ASP 57 -0.908 -8.978 -6.888 446 2HB ASP 57 3HB ASP 57 -0.492 -8.075 -5.433 447 H ILE 58 H ILE 58 0.100 -6.009 -5.086 448 HA ILE 58 HA ILE 58 -1.701 -4.315 -3.740 449 HB ILE 58 HB ILE 58 1.335 -4.382 -3.933 450 1HG1 ILE 58 2HG1 ILE 58 -0.421 -5.283 -1.632 451 2HG1 ILE 58 3HG1 ILE 58 -0.065 -6.360 -2.977 452 1HG2 ILE 58 1HG2 ILE 58 -0.344 -2.770 -1.973 453 2HG2 ILE 58 2HG2 ILE 58 1.402 -3.043 -1.850 454 3HG2 ILE 58 3HG2 ILE 58 0.756 -2.127 -3.203 455 1HD1 ILE 58 1HD1 ILE 58 1.467 -6.756 -1.151 456 2HD1 ILE 58 2HD1 ILE 58 2.326 -6.182 -2.594 457 3HD1 ILE 58 3HD1 ILE 58 2.052 -5.083 -1.222 458 H ILE 59 H ILE 59 0.937 -3.278 -5.962 459 HA ILE 59 HA ILE 59 0.242 -0.564 -5.923 460 HB ILE 59 HB ILE 59 1.666 -2.276 -7.982 461 1HG1 ILE 59 2HG1 ILE 59 2.707 -0.157 -6.048 462 2HG1 ILE 59 3HG1 ILE 59 2.665 -1.882 -5.677 463 1HG2 ILE 59 1HG2 ILE 59 2.467 -0.201 -9.059 464 2HG2 ILE 59 2HG2 ILE 59 0.725 -0.336 -9.204 465 3HG2 ILE 59 3HG2 ILE 59 1.425 0.760 -7.991 466 1HD1 ILE 59 1HD1 ILE 59 4.103 -2.308 -7.702 467 2HD1 ILE 59 2HD1 ILE 59 4.310 -0.546 -7.856 468 3HD1 ILE 59 3HD1 ILE 59 4.875 -1.377 -6.402 469 H HIS 60 H HIS 60 -0.866 -3.066 -8.271 470 HA HIS 60 HA HIS 60 -2.386 -1.129 -9.759 471 1HB HIS 60 2HB HIS 60 -2.454 -4.155 -9.783 472 2HB HIS 60 3HB HIS 60 -3.347 -3.111 -10.900 473 HD1 HIS 60 1HD HIS 60 -1.142 -0.951 -11.602 474 HD2 HIS 60 2HD HIS 60 -0.586 -5.131 -11.375 475 HE1 HIS 60 1HE HIS 60 0.927 -1.498 -12.989 476 H THR 61 H THR 61 -3.156 -3.203 -6.983 477 HA THR 61 HA THR 61 -6.003 -2.722 -7.153 478 HB THR 61 HB THR 61 -4.260 -3.452 -4.763 479 HG1 THR 61 1HG THR 61 -4.215 -5.054 -6.299 480 1HG2 THR 61 1HG2 THR 61 -6.414 -4.296 -3.834 481 2HG2 THR 61 2HG2 THR 61 -6.440 -2.538 -4.016 482 3HG2 THR 61 3HG2 THR 61 -7.287 -3.566 -5.195 483 H ILE 62 H ILE 62 -3.331 -1.107 -5.314 484 HA ILE 62 HA ILE 62 -5.107 0.890 -4.242 485 HB ILE 62 HB ILE 62 -2.077 0.896 -4.487 486 1HG1 ILE 62 2HG1 ILE 62 -2.530 -0.983 -3.114 487 2HG1 ILE 62 3HG1 ILE 62 -2.323 0.316 -1.961 488 1HG2 ILE 62 1HG2 ILE 62 -2.149 2.512 -2.629 489 2HG2 ILE 62 2HG2 ILE 62 -2.944 3.152 -4.071 490 3HG2 ILE 62 3HG2 ILE 62 -3.919 2.548 -2.712 491 1HD1 ILE 62 1HD1 ILE 62 -4.902 0.507 -1.954 492 2HD1 ILE 62 2HD1 ILE 62 -4.890 -1.013 -2.884 493 3HD1 ILE 62 3HD1 ILE 62 -4.199 -0.967 -1.266 494 H GLU 63 H GLU 63 -3.198 0.788 -7.237 495 HA GLU 63 HA GLU 63 -3.723 3.358 -8.240 496 1HB GLU 63 2HB GLU 63 -2.202 1.574 -9.133 497 2HB GLU 63 3HB GLU 63 -3.630 0.668 -9.645 498 1HG GLU 63 2HG GLU 63 -4.257 2.485 -11.124 499 2HG GLU 63 3HG GLU 63 -2.786 3.374 -10.671 500 H SER 64 H SER 64 -5.546 0.288 -8.657 501 HA SER 64 HA SER 64 -7.759 1.376 -9.969 502 1HB SER 64 2HB SER 64 -7.155 -0.994 -9.954 503 2HB SER 64 3HB SER 64 -7.720 -1.129 -8.271 504 HG SER 64 HG SER 64 -9.747 -0.120 -9.290 505 H LEU 65 H LEU 65 -7.159 1.256 -6.452 506 HA LEU 65 HA LEU 65 -9.827 1.903 -5.649 507 1HB LEU 65 2HB LEU 65 -7.100 2.276 -4.423 508 2HB LEU 65 3HB LEU 65 -8.405 3.265 -3.806 509 HG LEU 65 HG LEU 65 -8.109 1.378 -2.411 510 1HD1 LEU 65 1HD1 LEU 65 -10.400 2.314 -2.719 511 2HD1 LEU 65 2HD1 LEU 65 -10.746 1.013 -3.884 512 3HD1 LEU 65 3HD1 LEU 65 -10.354 0.615 -2.209 513 1HD2 LEU 65 1HD2 LEU 65 -8.724 -0.379 -4.812 514 2HD2 LEU 65 2HD2 LEU 65 -7.203 -0.267 -3.889 515 3HD2 LEU 65 3HD2 LEU 65 -8.650 -0.925 -3.122 516 H GLY 66 H GLY 66 -7.546 3.824 -7.432 517 1HA GLY 66 2HA GLY 66 -8.043 5.855 -8.457 518 2HA GLY 66 1HA GLY 66 -9.365 6.170 -7.324 519 H PHE 67 H PHE 67 -6.001 5.151 -6.678 520 HA PHE 67 HA PHE 67 -5.279 7.805 -5.576 521 1HB PHE 67 2HB PHE 67 -4.465 5.135 -4.380 522 2HB PHE 67 3HB PHE 67 -4.107 6.741 -3.747 523 HD1 PHE 67 1HD PHE 67 -5.741 4.018 -2.749 524 HD2 PHE 67 2HD PHE 67 -6.780 8.069 -3.781 525 HE1 PHE 67 1HE PHE 67 -7.674 3.927 -1.200 526 HE2 PHE 67 2HE PHE 67 -8.701 7.973 -2.239 527 HZ PHE 67 HZ PHE 67 -9.145 5.903 -0.920 528 H GLU 68 H GLU 68 -2.803 7.996 -5.710 529 HA GLU 68 HA GLU 68 -1.905 6.516 -8.159 530 1HB GLU 68 2HB GLU 68 -0.504 8.606 -8.512 531 2HB GLU 68 3HB GLU 68 -2.231 8.689 -8.863 532 1HG GLU 68 2HG GLU 68 -2.713 10.011 -6.979 533 2HG GLU 68 3HG GLU 68 -1.232 9.506 -6.146 534 HA PRO 69 HA PRO 69 1.119 5.319 -5.011 535 1HB PRO 69 2HB PRO 69 1.376 2.667 -5.560 536 2HB PRO 69 3HB PRO 69 -0.060 3.328 -4.712 537 1HG PRO 69 2HG PRO 69 0.172 2.735 -7.657 538 2HG PRO 69 3HG PRO 69 -1.086 2.181 -6.506 539 1HD PRO 69 2HD PRO 69 -1.426 4.376 -8.074 540 2HD PRO 69 3HD PRO 69 -2.021 4.351 -6.384 541 H SER 70 H SER 70 3.342 5.230 -5.146 542 HA SER 70 HA SER 70 4.674 4.092 -7.490 543 1HB SER 70 2HB SER 70 4.893 7.027 -6.693 544 2HB SER 70 3HB SER 70 6.143 6.195 -7.640 545 HG SER 70 HG SER 70 3.470 5.974 -8.474 546 H LEU 71 H LEU 71 6.762 3.368 -6.930 547 HA LEU 71 HA LEU 71 7.107 2.646 -4.204 548 1HB LEU 71 2HB LEU 71 8.925 2.618 -6.635 549 2HB LEU 71 3HB LEU 71 9.477 2.010 -5.075 550 HG LEU 71 HG LEU 71 6.841 1.015 -6.129 551 1HD1 LEU 71 1HD1 LEU 71 8.012 -0.820 -7.336 552 2HD1 LEU 71 2HD1 LEU 71 8.369 0.759 -8.056 553 3HD1 LEU 71 3HD1 LEU 71 9.573 -0.030 -7.015 554 1HD2 LEU 71 1HD2 LEU 71 7.471 -1.001 -4.908 555 2HD2 LEU 71 2HD2 LEU 71 9.074 -0.325 -4.546 556 3HD2 LEU 71 3HD2 LEU 71 7.621 0.412 -3.843 557 H VAL 72 H VAL 72 8.403 3.404 -2.576 558 HA VAL 72 HA VAL 72 9.483 6.113 -2.716 559 HB VAL 72 HB VAL 72 9.773 3.835 -0.722 560 1HG1 VAL 72 1HG1 VAL 72 11.874 5.084 -0.557 561 2HG1 VAL 72 2HG1 VAL 72 10.992 6.628 -0.569 562 3HG1 VAL 72 3HG1 VAL 72 10.833 5.508 0.802 563 1HG2 VAL 72 1HG2 VAL 72 8.447 5.379 0.673 564 2HG2 VAL 72 2HG2 VAL 72 8.474 6.591 -0.618 565 3HG2 VAL 72 3HG2 VAL 72 7.585 5.067 -0.846 566 H LYS 73 H LYS 73 10.903 2.819 -2.907 567 HA LYS 73 HA LYS 73 13.570 3.722 -3.134 568 1HB LYS 73 2HB LYS 73 12.941 1.408 -2.544 569 2HB LYS 73 3HB LYS 73 12.302 1.165 -4.179 570 1HG LYS 73 2HG LYS 73 14.395 0.147 -4.247 571 2HG LYS 73 3HG LYS 73 14.689 1.700 -5.013 572 1HD LYS 73 2HD LYS 73 15.388 2.464 -2.552 573 2HD LYS 73 3HD LYS 73 15.501 0.731 -2.243 574 1HE LYS 73 2HE LYS 73 17.030 2.412 -4.279 575 2HE LYS 73 3HE LYS 73 17.713 1.579 -2.881 576 1HZ LYS 73 1HZ LYS 73 17.988 0.552 -5.162 577 2HZ LYS 73 2HZ LYS 73 17.350 -0.514 -4.041 578 3HZ LYS 73 3HZ LYS 73 16.466 0.263 -5.222 579 H ILE 74 H ILE 74 14.767 4.350 -4.823 580 HA ILE 74 HA ILE 74 13.691 4.283 -7.605 581 HB ILE 74 HB ILE 74 15.523 6.360 -6.322 582 1HG1 ILE 74 2HG1 ILE 74 12.663 6.621 -7.370 583 2HG1 ILE 74 3HG1 ILE 74 13.145 6.639 -5.668 584 1HG2 ILE 74 1HG2 ILE 74 16.104 5.830 -8.699 585 2HG2 ILE 74 2HG2 ILE 74 14.431 6.195 -9.169 586 3HG2 ILE 74 3HG2 ILE 74 15.491 7.465 -8.520 587 1HD1 ILE 74 1HD1 ILE 74 14.546 8.669 -6.108 588 2HD1 ILE 74 2HD1 ILE 74 13.831 8.748 -7.738 589 3HD1 ILE 74 3HD1 ILE 74 12.799 8.897 -6.311 590 H GLU 75 H GLU 75 14.939 2.935 -8.808 591 HA GLU 75 HA GLU 75 16.458 1.397 -9.353 592 1HB GLU 75 2HB GLU 75 17.779 3.621 -9.565 593 2HB GLU 75 3HB GLU 75 18.630 3.110 -8.101 594 1HG GLU 75 2HG GLU 75 19.358 1.048 -9.267 595 2HG GLU 75 3HG GLU 75 18.436 1.519 -10.708 Start of MODEL 8 1 1H MET 1 H1 MET 1 9.655 -13.915 1.736 2 2H MET 1 H2 MET 1 10.785 -13.149 0.829 3 3H MET 1 H3 MET 1 10.776 -14.733 0.848 4 HA MET 1 HA MET 1 11.215 -14.726 3.284 5 1HB MET 1 2HB MET 1 13.602 -14.239 3.126 6 2HB MET 1 3HB MET 1 13.049 -15.194 1.748 7 1HG MET 1 2HG MET 1 13.037 -13.220 0.312 8 2HG MET 1 3HG MET 1 13.494 -12.172 1.656 9 1HE MET 1 1HE MET 1 17.224 -13.146 2.240 10 2HE MET 1 2HE MET 1 15.875 -12.102 2.739 11 3HE MET 1 3HE MET 1 15.851 -13.845 3.119 12 H GLY 2 H GLY 2 12.215 -13.441 5.048 13 1HA GLY 2 2HA GLY 2 12.236 -11.621 6.448 14 2HA GLY 2 1HA GLY 2 12.199 -10.565 5.022 15 H ASP 3 H ASP 3 10.718 -9.202 6.330 16 HA ASP 3 HA ASP 3 7.930 -10.120 6.598 17 1HB ASP 3 2HB ASP 3 7.613 -7.823 7.372 18 2HB ASP 3 3HB ASP 3 8.759 -8.729 8.375 19 H GLY 4 H GLY 4 10.018 -7.871 4.846 20 1HA GLY 4 2HA GLY 4 10.017 -7.473 2.507 21 2HA GLY 4 1HA GLY 4 8.468 -8.306 2.364 22 H VAL 5 H VAL 5 10.001 -5.369 3.670 23 HA VAL 5 HA VAL 5 7.497 -3.881 3.757 24 HB VAL 5 HB VAL 5 10.293 -2.719 3.973 25 1HG1 VAL 5 1HG1 VAL 5 7.592 -1.904 5.143 26 2HG1 VAL 5 2HG1 VAL 5 9.135 -1.056 5.376 27 3HG1 VAL 5 3HG1 VAL 5 8.403 -1.126 3.768 28 1HG2 VAL 5 1HG2 VAL 5 10.330 -4.505 5.588 29 2HG2 VAL 5 2HG2 VAL 5 9.978 -3.022 6.475 30 3HG2 VAL 5 3HG2 VAL 5 8.668 -4.166 6.095 31 H LEU 6 H LEU 6 6.670 -2.715 2.046 32 HA LEU 6 HA LEU 6 8.569 -1.590 0.066 33 1HB LEU 6 2HB LEU 6 7.447 -3.434 -1.093 34 2HB LEU 6 3HB LEU 6 5.863 -2.830 -0.556 35 HG LEU 6 HG LEU 6 6.245 -0.755 -1.922 36 1HD1 LEU 6 1HD1 LEU 6 8.714 -0.729 -2.041 37 2HD1 LEU 6 2HD1 LEU 6 8.699 -2.276 -2.915 38 3HD1 LEU 6 3HD1 LEU 6 8.019 -0.815 -3.661 39 1HD2 LEU 6 1HD2 LEU 6 4.954 -2.677 -2.781 40 2HD2 LEU 6 2HD2 LEU 6 5.833 -1.846 -4.076 41 3HD2 LEU 6 3HD2 LEU 6 6.449 -3.382 -3.433 42 H GLU 7 H GLU 7 8.181 0.540 -0.302 43 HA GLU 7 HA GLU 7 5.859 1.858 1.032 44 1HB GLU 7 2HB GLU 7 8.711 2.796 0.497 45 2HB GLU 7 3HB GLU 7 7.349 3.867 0.791 46 1HG GLU 7 2HG GLU 7 7.009 2.369 2.948 47 2HG GLU 7 3HG GLU 7 8.717 1.994 2.673 48 H LEU 8 H LEU 8 4.524 3.020 -0.242 49 HA LEU 8 HA LEU 8 5.513 3.950 -2.841 50 1HB LEU 8 2HB LEU 8 3.180 3.293 -3.796 51 2HB LEU 8 3HB LEU 8 4.412 2.054 -3.720 52 HG LEU 8 HG LEU 8 2.592 2.275 -1.329 53 1HD1 LEU 8 1HD1 LEU 8 1.723 1.066 -3.970 54 2HD1 LEU 8 2HD1 LEU 8 0.876 0.907 -2.417 55 3HD1 LEU 8 3HD1 LEU 8 1.029 2.502 -3.167 56 1HD2 LEU 8 1HD2 LEU 8 2.778 -0.219 -1.490 57 2HD2 LEU 8 2HD2 LEU 8 3.798 -0.047 -2.920 58 3HD2 LEU 8 3HD2 LEU 8 4.356 0.537 -1.337 59 H VAL 9 H VAL 9 4.896 5.992 -3.240 60 HA VAL 9 HA VAL 9 3.281 7.519 -1.335 61 HB VAL 9 HB VAL 9 4.761 8.146 -3.889 62 1HG1 VAL 9 1HG1 VAL 9 2.670 9.432 -4.110 63 2HG1 VAL 9 2HG1 VAL 9 2.847 10.023 -2.438 64 3HG1 VAL 9 3HG1 VAL 9 4.013 10.495 -3.683 65 1HG2 VAL 9 1HG2 VAL 9 4.817 9.363 -1.081 66 2HG2 VAL 9 2HG2 VAL 9 5.949 8.120 -1.665 67 3HG2 VAL 9 3HG2 VAL 9 5.928 9.727 -2.411 68 H VAL 10 H VAL 10 1.180 8.246 -1.778 69 HA VAL 10 HA VAL 10 -0.302 7.232 -4.139 70 HB VAL 10 HB VAL 10 -2.108 6.712 -2.165 71 1HG1 VAL 10 1HG1 VAL 10 -0.224 4.596 -3.197 72 2HG1 VAL 10 2HG1 VAL 10 -1.909 4.453 -2.664 73 3HG1 VAL 10 3HG1 VAL 10 -1.535 5.302 -4.173 74 1HG2 VAL 10 1HG2 VAL 10 -1.137 5.332 -0.477 75 2HG2 VAL 10 2HG2 VAL 10 0.481 5.485 -1.188 76 3HG2 VAL 10 3HG2 VAL 10 -0.283 6.896 -0.412 77 H ARG 11 H ARG 11 -0.585 9.363 -4.785 78 HA ARG 11 HA ARG 11 -1.941 11.359 -3.154 79 1HB ARG 11 2HB ARG 11 -2.037 10.954 -6.176 80 2HB ARG 11 3HB ARG 11 -2.544 12.392 -5.282 81 1HG ARG 11 2HG ARG 11 -0.173 12.681 -4.479 82 2HG ARG 11 3HG ARG 11 0.296 11.315 -5.516 83 1HD ARG 11 2HD ARG 11 -0.724 12.544 -7.467 84 2HD ARG 11 3HD ARG 11 -0.930 13.952 -6.431 85 HE ARG 11 HE ARG 11 1.576 13.761 -6.002 86 1HH1 ARG 11 2HH2 ARG 11 0.417 12.420 -9.096 87 2HH1 ARG 11 1HH2 ARG 11 1.641 13.168 -10.036 88 1HH2 ARG 11 2HH1 ARG 11 3.393 14.408 -7.207 89 2HH2 ARG 11 1HH1 ARG 11 3.467 14.116 -8.916 90 H GLY 12 H GLY 12 -4.253 11.909 -3.559 91 1HA GLY 12 2HA GLY 12 -6.438 11.395 -4.259 92 2HA GLY 12 1HA GLY 12 -6.052 9.681 -4.379 93 H MET 13 H MET 13 -4.708 10.775 -1.483 94 HA MET 13 HA MET 13 -6.725 9.417 0.040 95 1HB MET 13 2HB MET 13 -3.987 10.333 0.458 96 2HB MET 13 3HB MET 13 -4.997 10.614 1.879 97 1HG MET 13 2HG MET 13 -5.765 8.344 1.924 98 2HG MET 13 3HG MET 13 -4.823 7.946 0.475 99 1HE MET 13 1HE MET 13 -1.210 7.904 1.757 100 2HE MET 13 2HE MET 13 -2.347 7.522 0.440 101 3HE MET 13 3HE MET 13 -2.022 9.216 0.865 102 H THR 14 H THR 14 -8.526 10.809 -0.677 103 HA THR 14 HA THR 14 -8.980 13.322 0.648 104 HB THR 14 HB THR 14 -11.387 12.751 0.156 105 HG1 THR 14 1HG THR 14 -11.081 10.480 0.293 106 1HG2 THR 14 1HG2 THR 14 -11.135 12.869 -2.287 107 2HG2 THR 14 2HG2 THR 14 -9.967 13.950 -1.503 108 3HG2 THR 14 3HG2 THR 14 -9.433 12.391 -2.170 109 H CYS 15 H CYS 15 -7.979 12.733 2.677 110 HA CYS 15 HA CYS 15 -8.321 12.903 4.891 111 1HB CYS 15 2HB CYS 15 -10.643 13.770 4.020 112 2HB CYS 15 3HB CYS 15 -11.261 12.248 4.688 113 HG CYS 15 HG CYS 15 -11.735 13.985 6.448 114 H ALA 16 H ALA 16 -9.303 11.579 6.902 115 HA ALA 16 HA ALA 16 -7.981 9.227 7.191 116 1HB ALA 16 1HB ALA 16 -10.580 10.055 8.533 117 2HB ALA 16 2HB ALA 16 -9.431 8.841 9.137 118 3HB ALA 16 3HB ALA 16 -8.941 10.543 9.020 119 H SER 17 H SER 17 -11.251 9.633 5.837 120 HA SER 17 HA SER 17 -12.251 7.056 5.646 121 1HB SER 17 2HB SER 17 -12.872 8.219 3.233 122 2HB SER 17 3HB SER 17 -13.670 8.595 4.766 123 HG SER 17 HG SER 17 -11.742 10.143 3.405 124 H CYS 18 H CYS 18 -9.949 8.686 3.356 125 HA CYS 18 HA CYS 18 -9.740 6.241 1.775 126 1HB CYS 18 2HB CYS 18 -8.490 8.960 1.637 127 2HB CYS 18 3HB CYS 18 -7.775 7.577 0.771 128 HG CYS 18 HG CYS 18 -9.356 8.934 -0.872 129 H VAL 19 H VAL 19 -7.945 7.617 4.480 130 HA VAL 19 HA VAL 19 -5.631 5.960 4.259 131 HB VAL 19 HB VAL 19 -6.942 6.945 6.836 132 1HG1 VAL 19 1HG1 VAL 19 -4.656 6.878 7.706 133 2HG1 VAL 19 2HG1 VAL 19 -5.155 5.273 7.150 134 3HG1 VAL 19 3HG1 VAL 19 -4.072 6.267 6.147 135 1HG2 VAL 19 1HG2 VAL 19 -6.624 8.848 5.299 136 2HG2 VAL 19 2HG2 VAL 19 -5.444 8.899 6.614 137 3HG2 VAL 19 3HG2 VAL 19 -4.951 8.339 5.000 138 H HIS 20 H HIS 20 -8.736 5.485 6.131 139 HA HIS 20 HA HIS 20 -7.949 2.822 6.834 140 1HB HIS 20 2HB HIS 20 -9.521 3.022 8.299 141 2HB HIS 20 3HB HIS 20 -9.885 4.623 7.694 142 HD1 HIS 20 1HD HIS 20 -11.900 2.381 9.010 143 HD2 HIS 20 2HD HIS 20 -11.596 3.761 5.059 144 HE1 HIS 20 1HE HIS 20 -14.202 2.135 7.962 145 H LYS 21 H LYS 21 -9.660 4.152 4.052 146 HA LYS 21 HA LYS 21 -10.710 1.812 2.919 147 1HB LYS 21 2HB LYS 21 -10.686 4.334 2.230 148 2HB LYS 21 3HB LYS 21 -9.314 3.940 1.227 149 1HG LYS 21 2HG LYS 21 -11.999 2.511 1.011 150 2HG LYS 21 3HG LYS 21 -11.691 4.081 0.287 151 1HD LYS 21 2HD LYS 21 -9.509 2.669 -0.679 152 2HD LYS 21 3HD LYS 21 -10.718 1.401 -0.537 153 1HE LYS 21 2HE LYS 21 -11.098 2.238 -2.732 154 2HE LYS 21 3HE LYS 21 -12.338 3.027 -1.768 155 1HZ LYS 21 1HZ LYS 21 -11.417 4.680 -3.060 156 2HZ LYS 21 2HZ LYS 21 -10.586 4.924 -1.661 157 3HZ LYS 21 3HZ LYS 21 -9.903 4.155 -2.966 158 H ILE 22 H ILE 22 -7.494 3.260 2.691 159 HA ILE 22 HA ILE 22 -6.321 1.280 0.941 160 HB ILE 22 HB ILE 22 -5.245 3.514 2.699 161 1HG1 ILE 22 2HG1 ILE 22 -5.053 3.054 -0.261 162 2HG1 ILE 22 3HG1 ILE 22 -6.402 3.909 0.539 163 1HG2 ILE 22 1HG2 ILE 22 -3.005 3.012 1.624 164 2HG2 ILE 22 2HG2 ILE 22 -3.520 1.721 2.710 165 3HG2 ILE 22 3HG2 ILE 22 -3.721 1.556 0.941 166 1HD1 ILE 22 1HD1 ILE 22 -4.859 5.525 -0.398 167 2HD1 ILE 22 2HD1 ILE 22 -4.862 5.617 1.370 168 3HD1 ILE 22 3HD1 ILE 22 -3.509 4.842 0.499 169 H GLU 23 H GLU 23 -5.836 1.998 4.428 170 HA GLU 23 HA GLU 23 -4.265 -0.163 5.073 171 1HB GLU 23 2HB GLU 23 -5.374 1.911 6.476 172 2HB GLU 23 3HB GLU 23 -6.363 0.601 7.099 173 1HG GLU 23 2HG GLU 23 -3.307 0.664 7.113 174 2HG GLU 23 3HG GLU 23 -4.363 1.015 8.489 175 H SER 24 H SER 24 -7.814 -0.026 5.300 176 HA SER 24 HA SER 24 -8.216 -2.687 6.242 177 1HB SER 24 2HB SER 24 -9.916 -0.888 6.341 178 2HB SER 24 3HB SER 24 -10.096 -0.951 4.573 179 HG SER 24 HG SER 24 -11.663 -2.209 5.745 180 H SER 25 H SER 25 -8.194 -1.304 2.907 181 HA SER 25 HA SER 25 -8.917 -3.793 1.688 182 1HB SER 25 2HB SER 25 -9.268 -1.526 0.737 183 2HB SER 25 3HB SER 25 -7.530 -1.407 0.419 184 HG SER 25 HG SER 25 -7.769 -3.396 -0.796 185 H LEU 26 H LEU 26 -5.802 -2.390 2.658 186 HA LEU 26 HA LEU 26 -4.246 -4.361 1.188 187 1HB LEU 26 2HB LEU 26 -3.576 -2.454 3.437 188 2HB LEU 26 3HB LEU 26 -2.495 -3.786 3.011 189 HG LEU 26 HG LEU 26 -1.655 -1.963 1.998 190 1HD1 LEU 26 1HD1 LEU 26 -1.712 -4.061 0.587 191 2HD1 LEU 26 2HD1 LEU 26 -3.075 -3.358 -0.314 192 3HD1 LEU 26 3HD1 LEU 26 -1.510 -2.544 -0.312 193 1HD2 LEU 26 1HD2 LEU 26 -4.303 -1.309 0.723 194 2HD2 LEU 26 2HD2 LEU 26 -3.482 -0.482 2.076 195 3HD2 LEU 26 3HD2 LEU 26 -2.747 -0.465 0.466 196 H THR 27 H THR 27 -5.415 -4.189 4.577 197 HA THR 27 HA THR 27 -3.956 -6.346 5.485 198 HB THR 27 HB THR 27 -5.667 -6.682 7.235 199 HG1 THR 27 1HG THR 27 -7.130 -4.870 5.618 200 1HG2 THR 27 1HG2 THR 27 -3.917 -5.000 7.532 201 2HG2 THR 27 2HG2 THR 27 -4.872 -3.786 6.687 202 3HG2 THR 27 3HG2 THR 27 -5.444 -4.427 8.222 203 H LYS 28 H LYS 28 -6.637 -6.652 3.272 204 HA LYS 28 HA LYS 28 -6.947 -9.518 3.816 205 1HB LYS 28 2HB LYS 28 -8.616 -9.521 2.112 206 2HB LYS 28 3HB LYS 28 -8.871 -8.278 3.341 207 1HG LYS 28 2HG LYS 28 -9.569 -7.506 1.179 208 2HG LYS 28 3HG LYS 28 -8.255 -6.517 1.802 209 1HD LYS 28 2HD LYS 28 -6.686 -7.533 0.285 210 2HD LYS 28 3HD LYS 28 -7.828 -8.805 -0.189 211 1HE LYS 28 2HE LYS 28 -9.205 -7.223 -1.385 212 2HE LYS 28 3HE LYS 28 -8.362 -5.838 -0.688 213 1HZ LYS 28 1HZ LYS 28 -7.673 -6.270 -2.946 214 2HZ LYS 28 2HZ LYS 28 -6.400 -6.419 -1.928 215 3HZ LYS 28 3HZ LYS 28 -7.118 -7.761 -2.546 216 H HIS 29 H HIS 29 -4.495 -7.925 2.134 217 HA HIS 29 HA HIS 29 -4.432 -9.596 -0.224 218 1HB HIS 29 2HB HIS 29 -2.463 -7.729 1.078 219 2HB HIS 29 3HB HIS 29 -1.941 -8.822 -0.208 220 HD1 HIS 29 1HD HIS 29 -2.387 -7.943 -2.650 221 HD2 HIS 29 2HD HIS 29 -4.855 -6.300 0.321 222 HE1 HIS 29 1HE HIS 29 -3.909 -6.313 -3.813 223 H ARG 30 H ARG 30 -3.880 -11.640 -0.435 224 HA ARG 30 HA ARG 30 -3.382 -13.264 1.867 225 1HB ARG 30 2HB ARG 30 -3.384 -13.942 -1.100 226 2HB ARG 30 3HB ARG 30 -3.365 -15.113 0.227 227 1HG ARG 30 2HG ARG 30 -5.523 -14.203 1.064 228 2HG ARG 30 3HG ARG 30 -5.579 -13.071 -0.294 229 1HD ARG 30 2HD ARG 30 -5.542 -14.921 -1.907 230 2HD ARG 30 3HD ARG 30 -5.464 -16.116 -0.621 231 HE ARG 30 HE ARG 30 -7.776 -14.660 -1.613 232 1HH1 ARG 30 2HH2 ARG 30 -6.483 -16.225 1.257 233 2HH1 ARG 30 1HH2 ARG 30 -8.023 -16.647 1.943 234 1HH2 ARG 30 2HH1 ARG 30 -9.859 -15.177 -0.744 235 2HH2 ARG 30 1HH1 ARG 30 -9.994 -16.009 0.769 236 H GLY 31 H GLY 31 -1.412 -12.127 2.502 237 1HA GLY 31 2HA GLY 31 0.876 -13.487 2.649 238 2HA GLY 31 1HA GLY 31 1.089 -12.758 1.042 239 H ILE 32 H ILE 32 -0.769 -10.517 2.730 240 HA ILE 32 HA ILE 32 1.331 -8.709 3.319 241 HB ILE 32 HB ILE 32 -1.193 -8.546 2.600 242 1HG1 ILE 32 2HG1 ILE 32 0.397 -6.604 2.924 243 2HG1 ILE 32 3HG1 ILE 32 -1.358 -6.350 2.942 244 1HG2 ILE 32 1HG2 ILE 32 -2.688 -8.066 4.436 245 2HG2 ILE 32 2HG2 ILE 32 -2.019 -9.709 4.601 246 3HG2 ILE 32 3HG2 ILE 32 -1.388 -8.398 5.614 247 1HD1 ILE 32 1HD1 ILE 32 -1.415 -6.175 5.323 248 2HD1 ILE 32 2HD1 ILE 32 0.273 -6.710 5.427 249 3HD1 ILE 32 3HD1 ILE 32 -0.124 -5.122 4.723 250 H LEU 33 H LEU 33 2.050 -8.135 5.432 251 HA LEU 33 HA LEU 33 1.430 -9.954 7.692 252 1HB LEU 33 2HB LEU 33 3.761 -9.987 6.936 253 2HB LEU 33 3HB LEU 33 3.837 -8.225 7.000 254 HG LEU 33 HG LEU 33 3.508 -8.295 9.475 255 1HD1 LEU 33 1HD1 LEU 33 3.804 -10.519 10.609 256 2HD1 LEU 33 2HD1 LEU 33 2.280 -10.402 9.720 257 3HD1 LEU 33 3HD1 LEU 33 3.638 -11.314 9.025 258 1HD2 LEU 33 1HD2 LEU 33 5.706 -8.180 8.495 259 2HD2 LEU 33 2HD2 LEU 33 5.766 -9.187 9.955 260 3HD2 LEU 33 3HD2 LEU 33 5.793 -9.950 8.344 261 H TYR 34 H TYR 34 1.993 -6.503 6.716 262 HA TYR 34 HA TYR 34 0.167 -5.510 8.760 263 1HB TYR 34 2HB TYR 34 2.253 -5.862 10.070 264 2HB TYR 34 3HB TYR 34 3.179 -5.023 8.849 265 HD1 TYR 34 HD1 TYR 34 3.778 -2.804 9.241 266 HD2 TYR 34 HD2 TYR 34 0.176 -4.358 11.039 267 HE1 TYR 34 HE1 TYR 34 3.401 -0.637 10.367 268 HE2 TYR 34 HE2 TYR 34 -0.235 -2.162 12.099 269 HH TYR 34 HH TYR 34 0.444 0.044 12.228 270 H CYS 35 H CYS 35 -0.236 -3.144 8.354 271 HA CYS 35 HA CYS 35 1.159 -2.005 6.030 272 1HB CYS 35 2HB CYS 35 -1.550 -1.042 5.912 273 2HB CYS 35 3HB CYS 35 -0.612 -1.796 4.653 274 HG CYS 35 HG CYS 35 -2.698 -2.891 6.886 275 H SER 36 H SER 36 0.837 0.275 5.923 276 HA SER 36 HA SER 36 -0.448 1.680 8.078 277 1HB SER 36 2HB SER 36 1.639 1.008 9.273 278 2HB SER 36 3HB SER 36 2.579 1.876 8.040 279 HG SER 36 HG SER 36 2.005 3.047 10.046 280 H VAL 37 H VAL 37 -1.518 2.853 6.492 281 HA VAL 37 HA VAL 37 0.077 4.519 4.699 282 HB VAL 37 HB VAL 37 -1.621 3.228 3.615 283 1HG1 VAL 37 1HG1 VAL 37 -4.050 3.405 4.424 284 2HG1 VAL 37 2HG1 VAL 37 -2.989 2.360 5.332 285 3HG1 VAL 37 3HG1 VAL 37 -3.408 3.974 5.957 286 1HG2 VAL 37 1HG2 VAL 37 -2.810 5.974 4.123 287 2HG2 VAL 37 2HG2 VAL 37 -1.598 5.551 2.876 288 3HG2 VAL 37 3HG2 VAL 37 -3.230 4.876 2.818 289 H ALA 38 H ALA 38 -0.092 6.747 4.670 290 HA ALA 38 HA ALA 38 -1.906 8.068 6.529 291 1HB ALA 38 1HB ALA 38 -0.151 9.390 7.652 292 2HB ALA 38 2HB ALA 38 -0.129 7.671 8.097 293 3HB ALA 38 3HB ALA 38 1.084 8.300 6.967 294 H LEU 39 H LEU 39 -2.507 9.991 5.886 295 HA LEU 39 HA LEU 39 -1.803 10.786 3.199 296 1HB LEU 39 2HB LEU 39 -3.615 12.298 3.301 297 2HB LEU 39 3HB LEU 39 -4.070 10.750 4.006 298 HG LEU 39 HG LEU 39 -3.608 11.887 6.323 299 1HD1 LEU 39 1HD1 LEU 39 -4.026 14.338 4.527 300 2HD1 LEU 39 2HD1 LEU 39 -4.174 14.331 6.293 301 3HD1 LEU 39 3HD1 LEU 39 -2.609 14.049 5.549 302 1HD2 LEU 39 1HD2 LEU 39 -5.941 12.744 6.292 303 2HD2 LEU 39 2HD2 LEU 39 -5.924 12.673 4.513 304 3HD2 LEU 39 3HD2 LEU 39 -5.810 11.182 5.470 305 H ALA 40 H ALA 40 -0.728 11.763 6.371 306 HA ALA 40 HA ALA 40 -0.024 14.474 5.796 307 1HB ALA 40 1HB ALA 40 1.215 12.479 7.751 308 2HB ALA 40 2HB ALA 40 1.459 14.239 7.758 309 3HB ALA 40 3HB ALA 40 -0.150 13.569 8.088 310 H THR 41 H THR 41 1.599 11.360 5.401 311 HA THR 41 HA THR 41 3.914 12.621 4.047 312 HB THR 41 HB THR 41 4.415 10.952 5.651 313 HG1 THR 41 1HG THR 41 5.558 11.069 3.571 314 1HG2 THR 41 1HG2 THR 41 2.468 9.566 5.753 315 2HG2 THR 41 2HG2 THR 41 2.684 9.032 4.077 316 3HG2 THR 41 3HG2 THR 41 3.851 8.557 5.322 317 H ASN 42 H ASN 42 0.969 10.771 3.388 318 HA ASN 42 HA ASN 42 -0.285 10.605 1.515 319 1HB ASN 42 2HB ASN 42 1.896 11.775 -0.255 320 2HB ASN 42 3HB ASN 42 0.213 11.466 -0.636 321 1HD2 ASN 42 1HD2 ASN 42 2.389 13.471 1.273 322 2HD2 ASN 42 2HD2 ASN 42 1.299 14.848 1.424 323 H LYS 43 H LYS 43 1.066 8.582 2.687 324 HA LYS 43 HA LYS 43 2.254 7.029 0.448 325 1HB LYS 43 2HB LYS 43 3.953 8.379 1.994 326 2HB LYS 43 3HB LYS 43 3.574 7.091 3.159 327 1HG LYS 43 2HG LYS 43 4.153 5.488 1.142 328 2HG LYS 43 3HG LYS 43 4.932 6.920 0.455 329 1HD LYS 43 2HD LYS 43 5.509 5.445 3.062 330 2HD LYS 43 3HD LYS 43 6.525 5.583 1.625 331 1HE LYS 43 2HE LYS 43 6.851 8.004 2.042 332 2HE LYS 43 3HE LYS 43 5.884 7.859 3.518 333 1HZ LYS 43 1HZ LYS 43 8.211 7.623 4.092 334 2HZ LYS 43 2HZ LYS 43 7.527 6.101 4.205 335 3HZ LYS 43 3HZ LYS 43 8.418 6.421 2.956 336 H ALA 44 H ALA 44 2.096 4.865 0.608 337 HA ALA 44 HA ALA 44 0.858 3.640 3.036 338 1HB ALA 44 1HB ALA 44 -0.606 3.377 1.074 339 2HB ALA 44 2HB ALA 44 0.748 2.689 0.155 340 3HB ALA 44 3HB ALA 44 0.115 1.838 1.582 341 H HIS 45 H HIS 45 2.339 2.484 4.182 342 HA HIS 45 HA HIS 45 4.401 1.104 2.545 343 1HB HIS 45 2HB HIS 45 5.851 0.885 4.170 344 2HB HIS 45 3HB HIS 45 5.206 2.465 4.615 345 HD1 HIS 45 1HD HIS 45 5.237 2.473 7.181 346 HD2 HIS 45 2HD HIS 45 4.492 -1.305 5.509 347 HE1 HIS 45 1HE HIS 45 5.209 0.810 9.114 348 H ILE 46 H ILE 46 4.340 -1.057 2.463 349 HA ILE 46 HA ILE 46 2.277 -2.489 4.058 350 HB ILE 46 HB ILE 46 2.930 -2.902 1.101 351 1HG1 ILE 46 2HG1 ILE 46 0.266 -2.855 1.228 352 2HG1 ILE 46 3HG1 ILE 46 0.544 -1.889 2.680 353 1HG2 ILE 46 1HG2 ILE 46 2.755 -5.065 2.262 354 2HG2 ILE 46 2HG2 ILE 46 1.253 -4.532 3.030 355 3HG2 ILE 46 3HG2 ILE 46 1.327 -4.811 1.275 356 1HD1 ILE 46 1HD1 ILE 46 0.136 -0.476 0.763 357 2HD1 ILE 46 2HD1 ILE 46 1.841 -0.266 1.203 358 3HD1 ILE 46 3HD1 ILE 46 1.392 -1.305 -0.173 359 H LYS 47 H LYS 47 3.014 -4.218 5.010 360 HA LYS 47 HA LYS 47 5.688 -5.344 4.401 361 1HB LYS 47 2HB LYS 47 4.022 -5.724 6.898 362 2HB LYS 47 3HB LYS 47 5.586 -6.447 6.502 363 1HG LYS 47 2HG LYS 47 6.368 -3.957 6.201 364 2HG LYS 47 3HG LYS 47 4.935 -3.541 7.154 365 1HD LYS 47 2HD LYS 47 5.723 -5.029 8.993 366 2HD LYS 47 3HD LYS 47 7.041 -5.587 7.956 367 1HE LYS 47 2HE LYS 47 7.672 -2.988 7.877 368 2HE LYS 47 3HE LYS 47 6.774 -2.947 9.397 369 1HZ LYS 47 1HZ LYS 47 9.173 -3.407 9.652 370 2HZ LYS 47 2HZ LYS 47 8.279 -4.684 10.199 371 3HZ LYS 47 3HZ LYS 47 9.017 -4.772 8.748 372 H TYR 48 H TYR 48 5.499 -7.202 3.264 373 HA TYR 48 HA TYR 48 3.422 -9.113 3.417 374 1HB TYR 48 2HB TYR 48 2.522 -8.831 1.191 375 2HB TYR 48 3HB TYR 48 2.372 -7.252 1.940 376 HD1 TYR 48 HD1 TYR 48 4.715 -5.729 1.557 377 HD2 TYR 48 HD2 TYR 48 3.322 -8.926 -0.983 378 HE1 TYR 48 HE1 TYR 48 6.337 -5.111 -0.117 379 HE2 TYR 48 HE2 TYR 48 4.782 -8.087 -2.793 380 HH TYR 48 HH TYR 48 7.140 -5.475 -2.246 381 H ASP 49 H ASP 49 4.200 -11.075 2.417 382 HA ASP 49 HA ASP 49 7.061 -11.002 1.849 383 1HB ASP 49 2HB ASP 49 6.299 -12.893 2.933 384 2HB ASP 49 3HB ASP 49 5.049 -13.210 1.717 385 HA PRO 50 HA PRO 50 6.139 -9.853 -2.364 386 1HB PRO 50 2HB PRO 50 8.624 -9.366 -3.334 387 2HB PRO 50 3HB PRO 50 7.932 -8.382 -2.011 388 1HG PRO 50 2HG PRO 50 9.770 -10.780 -1.736 389 2HG PRO 50 3HG PRO 50 9.996 -9.156 -1.021 390 1HD PRO 50 2HD PRO 50 8.848 -11.172 0.401 391 2HD PRO 50 3HD PRO 50 8.228 -9.492 0.513 392 H GLU 51 H GLU 51 7.539 -12.903 -1.543 393 HA GLU 51 HA GLU 51 8.041 -13.645 -4.380 394 1HB GLU 51 2HB GLU 51 8.466 -15.114 -1.754 395 2HB GLU 51 3HB GLU 51 8.781 -15.777 -3.361 396 1HG GLU 51 2HG GLU 51 10.820 -14.829 -3.389 397 2HG GLU 51 3HG GLU 51 10.108 -13.217 -3.259 398 H ILE 52 H ILE 52 5.938 -14.411 -1.561 399 HA ILE 52 HA ILE 52 4.506 -16.412 -3.041 400 HB ILE 52 HB ILE 52 2.855 -16.386 -1.276 401 1HG1 ILE 52 2HG1 ILE 52 4.280 -13.942 -0.243 402 2HG1 ILE 52 3HG1 ILE 52 2.565 -14.169 -0.587 403 1HG2 ILE 52 1HG2 ILE 52 5.076 -17.609 -1.177 404 2HG2 ILE 52 2HG2 ILE 52 5.691 -16.294 -0.156 405 3HG2 ILE 52 3HG2 ILE 52 4.343 -17.316 0.396 406 1HD1 ILE 52 1HD1 ILE 52 4.082 -15.485 1.696 407 2HD1 ILE 52 2HD1 ILE 52 2.900 -14.187 1.802 408 3HD1 ILE 52 3HD1 ILE 52 2.378 -15.797 1.267 409 H ILE 53 H ILE 53 3.489 -13.120 -2.268 410 HA ILE 53 HA ILE 53 1.290 -13.394 -4.273 411 HB ILE 53 HB ILE 53 0.557 -13.007 -2.061 412 1HG1 ILE 53 2HG1 ILE 53 0.080 -10.456 -3.647 413 2HG1 ILE 53 3HG1 ILE 53 -0.555 -12.027 -4.142 414 1HG2 ILE 53 1HG2 ILE 53 1.846 -10.258 -2.056 415 2HG2 ILE 53 2HG2 ILE 53 0.922 -11.020 -0.760 416 3HG2 ILE 53 3HG2 ILE 53 2.505 -11.659 -1.175 417 1HD1 ILE 53 1HD1 ILE 53 -1.161 -10.629 -1.502 418 2HD1 ILE 53 2HD1 ILE 53 -2.266 -10.845 -2.872 419 3HD1 ILE 53 3HD1 ILE 53 -1.720 -12.256 -1.955 420 H GLY 54 H GLY 54 3.497 -10.786 -3.207 421 1HA GLY 54 2HA GLY 54 5.085 -9.840 -4.615 422 2HA GLY 54 1HA GLY 54 4.178 -10.287 -6.059 423 HA PRO 55 HA PRO 55 3.687 -5.796 -4.515 424 1HB PRO 55 2HB PRO 55 5.234 -4.413 -6.322 425 2HB PRO 55 3HB PRO 55 5.874 -5.175 -4.845 426 1HG PRO 55 2HG PRO 55 5.877 -6.334 -7.642 427 2HG PRO 55 3HG PRO 55 7.246 -6.216 -6.498 428 1HD PRO 55 2HD PRO 55 5.827 -8.512 -6.699 429 2HD PRO 55 3HD PRO 55 6.341 -7.907 -5.097 430 H ARG 56 H ARG 56 3.676 -6.992 -7.883 431 HA ARG 56 HA ARG 56 2.360 -4.851 -9.098 432 1HB ARG 56 2HB ARG 56 3.425 -6.651 -10.324 433 2HB ARG 56 3HB ARG 56 2.203 -7.821 -9.773 434 1HG ARG 56 2HG ARG 56 0.442 -6.617 -10.939 435 2HG ARG 56 3HG ARG 56 1.559 -5.318 -11.397 436 1HD ARG 56 2HD ARG 56 1.657 -8.221 -12.367 437 2HD ARG 56 3HD ARG 56 1.020 -6.843 -13.238 438 HE ARG 56 HE ARG 56 3.090 -5.921 -13.610 439 1HH1 ARG 56 2HH2 ARG 56 3.451 -8.888 -11.730 440 2HH1 ARG 56 1HH2 ARG 56 5.115 -9.148 -12.149 441 1HH2 ARG 56 2HH1 ARG 56 5.308 -6.211 -14.157 442 2HH2 ARG 56 1HH1 ARG 56 6.203 -7.557 -13.534 443 H ASP 57 H ASP 57 0.946 -7.697 -7.544 444 HA ASP 57 HA ASP 57 -1.814 -7.356 -7.925 445 1HB ASP 57 2HB ASP 57 -1.057 -9.358 -6.876 446 2HB ASP 57 3HB ASP 57 -0.046 -8.482 -5.729 447 H ILE 58 H ILE 58 0.102 -6.305 -5.123 448 HA ILE 58 HA ILE 58 -1.782 -4.599 -3.899 449 HB ILE 58 HB ILE 58 1.256 -4.644 -3.920 450 1HG1 ILE 58 2HG1 ILE 58 -0.674 -5.309 -1.665 451 2HG1 ILE 58 3HG1 ILE 58 -0.224 -6.511 -2.879 452 1HG2 ILE 58 1HG2 ILE 58 1.102 -3.137 -1.892 453 2HG2 ILE 58 2HG2 ILE 58 0.719 -2.342 -3.413 454 3HG2 ILE 58 3HG2 ILE 58 -0.593 -2.838 -2.327 455 1HD1 ILE 58 1HD1 ILE 58 2.145 -6.269 -2.342 456 2HD1 ILE 58 2HD1 ILE 58 1.765 -5.092 -1.068 457 3HD1 ILE 58 3HD1 ILE 58 1.185 -6.761 -0.932 458 H ILE 59 H ILE 59 0.877 -3.527 -6.084 459 HA ILE 59 HA ILE 59 0.075 -0.847 -6.066 460 HB ILE 59 HB ILE 59 1.643 -2.495 -8.048 461 1HG1 ILE 59 2HG1 ILE 59 2.478 -0.274 -6.148 462 2HG1 ILE 59 3HG1 ILE 59 2.511 -1.991 -5.735 463 1HG2 ILE 59 1HG2 ILE 59 0.615 -0.686 -9.375 464 2HG2 ILE 59 2HG2 ILE 59 1.187 0.509 -8.188 465 3HG2 ILE 59 3HG2 ILE 59 2.336 -0.415 -9.174 466 1HD1 ILE 59 1HD1 ILE 59 4.156 -0.648 -7.909 467 2HD1 ILE 59 2HD1 ILE 59 4.719 -1.359 -6.392 468 3HD1 ILE 59 3HD1 ILE 59 4.054 -2.408 -7.660 469 H HIS 60 H HIS 60 -0.940 -3.345 -8.515 470 HA HIS 60 HA HIS 60 -2.651 -1.471 -9.848 471 1HB HIS 60 2HB HIS 60 -2.622 -4.496 -9.840 472 2HB HIS 60 3HB HIS 60 -3.725 -3.522 -10.823 473 HD1 HIS 60 1HD HIS 60 -1.616 -1.246 -11.765 474 HD2 HIS 60 2HD HIS 60 -1.251 -5.447 -11.928 475 HE1 HIS 60 1HE HIS 60 0.104 -1.768 -13.568 476 H THR 61 H THR 61 -3.240 -3.597 -7.029 477 HA THR 61 HA THR 61 -6.080 -3.128 -6.991 478 HB THR 61 HB THR 61 -4.169 -3.729 -4.694 479 HG1 THR 61 1HG THR 61 -4.240 -5.381 -6.198 480 1HG2 THR 61 1HG2 THR 61 -6.243 -2.778 -3.831 481 2HG2 THR 61 2HG2 THR 61 -7.211 -3.842 -4.881 482 3HG2 THR 61 3HG2 THR 61 -6.229 -4.520 -3.563 483 H ILE 62 H ILE 62 -3.346 -1.409 -5.364 484 HA ILE 62 HA ILE 62 -5.007 0.574 -4.158 485 HB ILE 62 HB ILE 62 -2.047 0.654 -4.848 486 1HG1 ILE 62 2HG1 ILE 62 -2.177 -1.185 -3.420 487 2HG1 ILE 62 3HG1 ILE 62 -1.860 0.121 -2.315 488 1HG2 ILE 62 1HG2 ILE 62 -2.831 2.874 -4.341 489 2HG2 ILE 62 2HG2 ILE 62 -3.679 2.304 -2.880 490 3HG2 ILE 62 3HG2 ILE 62 -1.905 2.256 -2.972 491 1HD1 ILE 62 1HD1 ILE 62 -3.533 -1.396 -1.447 492 2HD1 ILE 62 2HD1 ILE 62 -4.304 0.180 -1.736 493 3HD1 ILE 62 3HD1 ILE 62 -4.562 -1.203 -2.837 494 H GLU 63 H GLU 63 -3.375 0.494 -7.328 495 HA GLU 63 HA GLU 63 -4.006 3.066 -8.255 496 1HB GLU 63 2HB GLU 63 -2.470 1.350 -9.248 497 2HB GLU 63 3HB GLU 63 -3.875 0.377 -9.685 498 1HG GLU 63 2HG GLU 63 -4.660 2.162 -11.149 499 2HG GLU 63 3HG GLU 63 -3.210 3.114 -10.761 500 H SER 64 H SER 64 -5.765 -0.022 -8.730 501 HA SER 64 HA SER 64 -8.076 0.942 -9.931 502 1HB SER 64 2HB SER 64 -7.421 -1.403 -9.801 503 2HB SER 64 3HB SER 64 -7.805 -1.443 -8.069 504 HG SER 64 HG SER 64 -9.642 -0.839 -10.157 505 H LEU 65 H LEU 65 -7.381 0.669 -6.426 506 HA LEU 65 HA LEU 65 -9.989 1.552 -5.582 507 1HB LEU 65 2HB LEU 65 -7.305 1.469 -4.186 508 2HB LEU 65 3HB LEU 65 -8.803 1.873 -3.351 509 HG LEU 65 HG LEU 65 -8.441 -0.762 -4.827 510 1HD1 LEU 65 1HD1 LEU 65 -6.743 -0.461 -3.017 511 2HD1 LEU 65 2HD1 LEU 65 -8.056 -0.167 -1.861 512 3HD1 LEU 65 3HD1 LEU 65 -7.916 -1.738 -2.687 513 1HD2 LEU 65 1HD2 LEU 65 -10.274 -1.531 -3.425 514 2HD2 LEU 65 2HD2 LEU 65 -10.387 0.042 -2.628 515 3HD2 LEU 65 3HD2 LEU 65 -10.810 -0.124 -4.349 516 H GLY 66 H GLY 66 -7.863 3.403 -7.321 517 1HA GLY 66 2HA GLY 66 -8.325 5.546 -7.953 518 2HA GLY 66 1HA GLY 66 -9.419 5.759 -6.578 519 H PHE 67 H PHE 67 -5.960 4.806 -6.762 520 HA PHE 67 HA PHE 67 -5.152 7.364 -5.499 521 1HB PHE 67 2HB PHE 67 -4.192 4.609 -4.647 522 2HB PHE 67 3HB PHE 67 -3.685 6.156 -3.957 523 HD1 PHE 67 1HD PHE 67 -5.663 7.685 -3.109 524 HD2 PHE 67 2HD PHE 67 -5.853 3.402 -3.448 525 HE1 PHE 67 1HE PHE 67 -7.517 7.643 -1.491 526 HE2 PHE 67 2HE PHE 67 -7.551 3.331 -1.665 527 HZ PHE 67 HZ PHE 67 -8.349 5.476 -0.617 528 H GLU 68 H GLU 68 -2.677 7.491 -5.558 529 HA GLU 68 HA GLU 68 -1.745 6.523 -8.227 530 1HB GLU 68 2HB GLU 68 -2.195 8.990 -7.767 531 2HB GLU 68 3HB GLU 68 -0.788 8.933 -6.700 532 1HG GLU 68 2HG GLU 68 0.546 8.120 -8.737 533 2HG GLU 68 3HG GLU 68 -0.872 8.566 -9.700 534 HA PRO 69 HA PRO 69 0.944 4.442 -5.027 535 1HB PRO 69 2HB PRO 69 0.980 1.916 -6.034 536 2HB PRO 69 3HB PRO 69 -0.323 2.568 -4.999 537 1HG PRO 69 2HG PRO 69 -0.286 2.419 -8.004 538 2HG PRO 69 3HG PRO 69 -1.551 1.874 -6.855 539 1HD PRO 69 2HD PRO 69 -1.701 4.269 -8.120 540 2HD PRO 69 3HD PRO 69 -2.205 4.092 -6.409 541 H SER 70 H SER 70 2.489 5.867 -5.800 542 HA SER 70 HA SER 70 4.245 5.012 -8.049 543 1HB SER 70 2HB SER 70 4.290 7.544 -6.364 544 2HB SER 70 3HB SER 70 5.100 7.264 -7.917 545 HG SER 70 HG SER 70 2.277 7.342 -7.432 546 H LEU 71 H LEU 71 6.151 3.935 -7.515 547 HA LEU 71 HA LEU 71 6.865 3.337 -4.834 548 1HB LEU 71 2HB LEU 71 8.893 2.416 -5.678 549 2HB LEU 71 3HB LEU 71 7.585 2.044 -6.796 550 HG LEU 71 HG LEU 71 8.531 4.379 -7.895 551 1HD1 LEU 71 1HD1 LEU 71 10.990 4.288 -7.934 552 2HD1 LEU 71 2HD1 LEU 71 10.435 4.514 -6.271 553 3HD1 LEU 71 3HD1 LEU 71 10.984 2.916 -6.809 554 1HD2 LEU 71 1HD2 LEU 71 8.099 2.287 -9.111 555 2HD2 LEU 71 2HD2 LEU 71 9.684 2.947 -9.548 556 3HD2 LEU 71 3HD2 LEU 71 9.578 1.569 -8.432 557 H VAL 72 H VAL 72 8.140 4.377 -3.357 558 HA VAL 72 HA VAL 72 8.345 7.240 -3.742 559 HB VAL 72 HB VAL 72 7.596 6.334 -1.655 560 1HG1 VAL 72 1HG1 VAL 72 9.033 5.282 -0.024 561 2HG1 VAL 72 2HG1 VAL 72 8.950 4.269 -1.473 562 3HG1 VAL 72 3HG1 VAL 72 10.392 5.244 -1.136 563 1HG2 VAL 72 1HG2 VAL 72 10.236 7.808 -1.293 564 2HG2 VAL 72 2HG2 VAL 72 8.681 8.558 -1.711 565 3HG2 VAL 72 3HG2 VAL 72 8.883 7.748 -0.147 566 H LYS 73 H LYS 73 10.763 4.654 -3.222 567 HA LYS 73 HA LYS 73 12.651 5.511 -5.064 568 1HB LYS 73 2HB LYS 73 14.474 6.298 -3.606 569 2HB LYS 73 3HB LYS 73 13.120 7.416 -3.523 570 1HG LYS 73 2HG LYS 73 12.388 6.233 -1.393 571 2HG LYS 73 3HG LYS 73 13.892 5.295 -1.474 572 1HD LYS 73 2HD LYS 73 15.182 7.459 -1.401 573 2HD LYS 73 3HD LYS 73 13.644 8.336 -1.311 574 1HE LYS 73 2HE LYS 73 14.387 8.183 0.946 575 2HE LYS 73 3HE LYS 73 13.109 6.965 0.797 576 1HZ LYS 73 1HZ LYS 73 14.976 5.961 1.903 577 2HZ LYS 73 2HZ LYS 73 15.073 5.368 0.352 578 3HZ LYS 73 3HZ LYS 73 16.035 6.529 0.768 579 H ILE 74 H ILE 74 14.839 4.201 -4.343 580 HA ILE 74 HA ILE 74 14.371 2.101 -2.437 581 HB ILE 74 HB ILE 74 15.066 0.280 -3.809 582 1HG1 ILE 74 2HG1 ILE 74 16.496 1.266 -5.467 583 2HG1 ILE 74 3HG1 ILE 74 15.260 0.262 -6.208 584 1HG2 ILE 74 1HG2 ILE 74 12.672 0.634 -3.629 585 2HG2 ILE 74 2HG2 ILE 74 12.660 1.571 -5.135 586 3HG2 ILE 74 3HG2 ILE 74 13.103 -0.143 -5.159 587 1HD1 ILE 74 1HD1 ILE 74 13.977 2.358 -6.811 588 2HD1 ILE 74 2HD1 ILE 74 15.365 3.303 -6.215 589 3HD1 ILE 74 3HD1 ILE 74 15.567 2.197 -7.572 590 H GLU 75 H GLU 75 16.480 1.129 -1.836 591 HA GLU 75 HA GLU 75 18.931 2.182 -2.851 592 1HB GLU 75 2HB GLU 75 18.035 2.667 0.047 593 2HB GLU 75 3HB GLU 75 19.699 2.720 -0.534 594 1HG GLU 75 2HG GLU 75 19.392 4.915 -0.787 595 2HG GLU 75 3HG GLU 75 18.534 4.521 -2.269 Start of MODEL 9 1 1H MET 1 H1 MET 1 14.063 -16.182 4.638 2 2H MET 1 H2 MET 1 13.928 -16.221 6.311 3 3H MET 1 H3 MET 1 12.659 -16.666 5.326 4 HA MET 1 HA MET 1 12.098 -14.538 5.930 5 1HB MET 1 2HB MET 1 14.439 -14.040 6.816 6 2HB MET 1 3HB MET 1 14.941 -13.717 5.148 7 1HG MET 1 2HG MET 1 13.193 -11.904 5.042 8 2HG MET 1 3HG MET 1 12.794 -12.250 6.734 9 1HE MET 1 1HE MET 1 14.448 -8.752 6.930 10 2HE MET 1 2HE MET 1 13.460 -9.371 5.587 11 3HE MET 1 3HE MET 1 12.997 -9.732 7.265 12 H GLY 2 H GLY 2 11.177 -13.196 4.263 13 1HA GLY 2 2HA GLY 2 12.109 -13.057 1.531 14 2HA GLY 2 1HA GLY 2 10.852 -14.306 1.727 15 H ASP 3 H ASP 3 11.480 -11.118 3.220 16 HA ASP 3 HA ASP 3 8.797 -10.041 2.845 17 1HB ASP 3 2HB ASP 3 8.271 -10.302 5.252 18 2HB ASP 3 3HB ASP 3 8.431 -11.881 4.481 19 H GLY 4 H GLY 4 8.571 -8.095 4.282 20 1HA GLY 4 2HA GLY 4 10.480 -6.848 5.766 21 2HA GLY 4 1HA GLY 4 10.995 -6.465 4.109 22 H VAL 5 H VAL 5 10.318 -4.422 3.660 23 HA VAL 5 HA VAL 5 7.489 -4.155 3.393 24 HB VAL 5 HB VAL 5 7.334 -1.809 4.012 25 1HG1 VAL 5 1HG1 VAL 5 7.404 -1.906 6.425 26 2HG1 VAL 5 2HG1 VAL 5 6.795 -3.434 5.776 27 3HG1 VAL 5 3HG1 VAL 5 8.466 -3.330 6.382 28 1HG2 VAL 5 1HG2 VAL 5 9.074 -0.622 5.254 29 2HG2 VAL 5 2HG2 VAL 5 10.191 -1.992 5.040 30 3HG2 VAL 5 3HG2 VAL 5 9.632 -1.053 3.635 31 H LEU 6 H LEU 6 7.039 -2.560 1.727 32 HA LEU 6 HA LEU 6 9.230 -1.515 0.097 33 1HB LEU 6 2HB LEU 6 9.016 -3.867 -0.640 34 2HB LEU 6 3HB LEU 6 7.311 -3.640 -0.973 35 HG LEU 6 HG LEU 6 9.507 -2.091 -2.402 36 1HD1 LEU 6 1HD1 LEU 6 8.154 -4.684 -3.237 37 2HD1 LEU 6 2HD1 LEU 6 9.289 -3.735 -4.219 38 3HD1 LEU 6 3HD1 LEU 6 9.845 -4.505 -2.727 39 1HD2 LEU 6 1HD2 LEU 6 7.720 -1.994 -4.211 40 2HD2 LEU 6 2HD2 LEU 6 6.554 -2.534 -2.997 41 3HD2 LEU 6 3HD2 LEU 6 7.413 -0.987 -2.795 42 H GLU 7 H GLU 7 8.191 0.420 1.003 43 HA GLU 7 HA GLU 7 5.341 0.573 0.941 44 1HB GLU 7 2HB GLU 7 7.049 3.049 1.086 45 2HB GLU 7 3HB GLU 7 5.512 2.694 1.860 46 1HG GLU 7 2HG GLU 7 6.843 2.415 3.659 47 2HG GLU 7 3HG GLU 7 7.025 0.764 3.062 48 H LEU 8 H LEU 8 4.011 2.016 -0.195 49 HA LEU 8 HA LEU 8 5.121 2.986 -2.776 50 1HB LEU 8 2HB LEU 8 2.295 3.089 -2.846 51 2HB LEU 8 3HB LEU 8 3.360 2.204 -3.915 52 HG LEU 8 HG LEU 8 2.385 1.072 -1.259 53 1HD1 LEU 8 1HD1 LEU 8 1.118 0.684 -3.990 54 2HD1 LEU 8 2HD1 LEU 8 0.620 -0.050 -2.451 55 3HD1 LEU 8 3HD1 LEU 8 0.452 1.689 -2.684 56 1HD2 LEU 8 1HD2 LEU 8 3.427 -0.244 -3.827 57 2HD2 LEU 8 2HD2 LEU 8 4.350 -0.102 -2.323 58 3HD2 LEU 8 3HD2 LEU 8 2.890 -1.101 -2.371 59 H VAL 9 H VAL 9 5.027 5.117 -3.125 60 HA VAL 9 HA VAL 9 3.694 6.866 -1.170 61 HB VAL 9 HB VAL 9 5.557 7.319 -3.465 62 1HG1 VAL 9 1HG1 VAL 9 4.856 9.697 -3.663 63 2HG1 VAL 9 2HG1 VAL 9 3.647 8.590 -4.319 64 3HG1 VAL 9 3HG1 VAL 9 3.395 9.340 -2.723 65 1HG2 VAL 9 1HG2 VAL 9 6.459 8.975 -1.921 66 2HG2 VAL 9 2HG2 VAL 9 5.017 8.884 -0.892 67 3HG2 VAL 9 3HG2 VAL 9 6.123 7.498 -0.988 68 H VAL 10 H VAL 10 1.602 7.608 -1.642 69 HA VAL 10 HA VAL 10 0.442 6.916 -4.243 70 HB VAL 10 HB VAL 10 -1.449 5.813 -3.439 71 1HG1 VAL 10 1HG1 VAL 10 0.710 4.718 -1.579 72 2HG1 VAL 10 2HG1 VAL 10 -0.708 3.865 -2.207 73 3HG1 VAL 10 3HG1 VAL 10 0.584 4.342 -3.307 74 1HG2 VAL 10 1HG2 VAL 10 -2.089 7.145 -1.573 75 2HG2 VAL 10 2HG2 VAL 10 -1.949 5.475 -1.021 76 3HG2 VAL 10 3HG2 VAL 10 -0.653 6.624 -0.629 77 H ARG 11 H ARG 11 -0.829 8.529 -5.000 78 HA ARG 11 HA ARG 11 -1.698 10.648 -3.068 79 1HB ARG 11 2HB ARG 11 -1.434 12.342 -4.740 80 2HB ARG 11 3HB ARG 11 0.114 11.530 -4.476 81 1HG ARG 11 2HG ARG 11 -0.246 10.174 -6.522 82 2HG ARG 11 3HG ARG 11 -1.815 10.983 -6.769 83 1HD ARG 11 2HD ARG 11 -0.522 13.182 -6.870 84 2HD ARG 11 3HD ARG 11 0.959 12.189 -6.906 85 HE ARG 11 HE ARG 11 -1.262 11.650 -8.838 86 1HH1 ARG 11 2HH2 ARG 11 1.845 13.257 -8.467 87 2HH1 ARG 11 1HH2 ARG 11 2.301 13.097 -10.138 88 1HH2 ARG 11 2HH1 ARG 11 -0.643 11.264 -10.979 89 2HH2 ARG 11 1HH1 ARG 11 0.780 12.012 -11.647 90 H GLY 12 H GLY 12 -3.606 11.893 -4.148 91 1HA GLY 12 2HA GLY 12 -5.690 11.714 -5.301 92 2HA GLY 12 1HA GLY 12 -5.544 9.955 -5.358 93 H MET 13 H MET 13 -4.487 10.129 -2.427 94 HA MET 13 HA MET 13 -6.959 9.795 -1.014 95 1HB MET 13 2HB MET 13 -4.194 10.495 0.038 96 2HB MET 13 3HB MET 13 -5.546 9.873 0.995 97 1HG MET 13 2HG MET 13 -5.493 7.794 -0.469 98 2HG MET 13 3HG MET 13 -3.991 8.394 -1.159 99 1HE MET 13 1HE MET 13 -1.725 8.671 0.221 100 2HE MET 13 2HE MET 13 -2.551 9.699 1.401 101 3HE MET 13 3HE MET 13 -1.589 8.309 1.955 102 H THR 14 H THR 14 -7.891 11.236 0.539 103 HA THR 14 HA THR 14 -6.907 13.923 0.875 104 HB THR 14 HB THR 14 -7.824 14.308 -1.291 105 HG1 THR 14 1HG THR 14 -9.614 15.355 0.633 106 1HG2 THR 14 1HG2 THR 14 -9.489 12.443 -1.430 107 2HG2 THR 14 2HG2 THR 14 -10.580 13.386 -0.380 108 3HG2 THR 14 3HG2 THR 14 -10.095 14.017 -1.955 109 H CYS 15 H CYS 15 -9.976 12.007 1.081 110 HA CYS 15 HA CYS 15 -10.596 13.154 3.692 111 1HB CYS 15 2HB CYS 15 -12.401 12.320 2.173 112 2HB CYS 15 3HB CYS 15 -11.725 10.676 2.322 113 HG CYS 15 HG CYS 15 -13.650 10.576 3.939 114 H ALA 16 H ALA 16 -10.146 12.221 5.703 115 HA ALA 16 HA ALA 16 -7.995 10.588 6.244 116 1HB ALA 16 1HB ALA 16 -10.628 10.739 7.776 117 2HB ALA 16 2HB ALA 16 -9.085 10.138 8.415 118 3HB ALA 16 3HB ALA 16 -9.246 11.845 7.953 119 H SER 17 H SER 17 -11.375 9.522 5.613 120 HA SER 17 HA SER 17 -11.307 6.814 6.036 121 1HB SER 17 2HB SER 17 -12.432 8.111 3.523 122 2HB SER 17 3HB SER 17 -13.024 6.672 4.375 123 HG SER 17 HG SER 17 -13.488 8.081 6.166 124 H CYS 18 H CYS 18 -9.861 8.517 3.171 125 HA CYS 18 HA CYS 18 -9.266 6.285 1.539 126 1HB CYS 18 2HB CYS 18 -7.604 8.797 2.041 127 2HB CYS 18 3HB CYS 18 -7.437 7.683 0.676 128 HG CYS 18 HG CYS 18 -9.727 8.035 -0.375 129 H VAL 19 H VAL 19 -7.432 7.586 4.314 130 HA VAL 19 HA VAL 19 -5.105 6.001 4.004 131 HB VAL 19 HB VAL 19 -6.395 7.001 6.598 132 1HG1 VAL 19 1HG1 VAL 19 -4.094 7.019 7.441 133 2HG1 VAL 19 2HG1 VAL 19 -4.538 5.384 6.928 134 3HG1 VAL 19 3HG1 VAL 19 -3.527 6.405 5.875 135 1HG2 VAL 19 1HG2 VAL 19 -4.895 8.970 6.284 136 2HG2 VAL 19 2HG2 VAL 19 -4.513 8.392 4.645 137 3HG2 VAL 19 3HG2 VAL 19 -6.165 8.898 5.062 138 H HIS 20 H HIS 20 -8.004 5.481 6.058 139 HA HIS 20 HA HIS 20 -7.323 2.901 7.015 140 1HB HIS 20 2HB HIS 20 -8.972 3.676 8.341 141 2HB HIS 20 3HB HIS 20 -9.526 4.856 7.161 142 HD1 HIS 20 1HD HIS 20 -10.304 1.331 8.335 143 HD2 HIS 20 2HD HIS 20 -11.201 3.918 5.182 144 HE1 HIS 20 1HE HIS 20 -12.194 0.299 7.036 145 H LYS 21 H LYS 21 -8.947 4.111 4.087 146 HA LYS 21 HA LYS 21 -10.175 1.700 3.373 147 1HB LYS 21 2HB LYS 21 -10.161 4.266 2.334 148 2HB LYS 21 3HB LYS 21 -9.356 3.358 1.059 149 1HG LYS 21 2HG LYS 21 -12.048 2.769 2.355 150 2HG LYS 21 3HG LYS 21 -11.800 3.533 0.773 151 1HD LYS 21 2HD LYS 21 -10.648 1.478 -0.047 152 2HD LYS 21 3HD LYS 21 -10.993 0.655 1.474 153 1HE LYS 21 2HE LYS 21 -13.066 1.739 -0.495 154 2HE LYS 21 3HE LYS 21 -12.609 0.043 -0.289 155 1HZ LYS 21 1HZ LYS 21 -13.435 0.159 1.975 156 2HZ LYS 21 2HZ LYS 21 -13.905 1.721 1.758 157 3HZ LYS 21 3HZ LYS 21 -14.612 0.524 0.887 158 H ILE 22 H ILE 22 -7.041 3.030 2.506 159 HA ILE 22 HA ILE 22 -6.266 0.890 0.713 160 HB ILE 22 HB ILE 22 -4.610 2.903 2.281 161 1HG1 ILE 22 2HG1 ILE 22 -5.970 2.971 -0.390 162 2HG1 ILE 22 3HG1 ILE 22 -6.027 4.079 1.017 163 1HG2 ILE 22 1HG2 ILE 22 -3.263 0.941 1.431 164 2HG2 ILE 22 2HG2 ILE 22 -3.872 1.305 -0.202 165 3HG2 ILE 22 3HG2 ILE 22 -2.834 2.464 0.653 166 1HD1 ILE 22 1HD1 ILE 22 -3.792 3.874 -0.957 167 2HD1 ILE 22 2HD1 ILE 22 -4.913 5.222 -0.653 168 3HD1 ILE 22 3HD1 ILE 22 -3.733 4.764 0.593 169 H GLU 23 H GLU 23 -5.472 1.723 4.089 170 HA GLU 23 HA GLU 23 -3.902 -0.430 4.792 171 1HB GLU 23 2HB GLU 23 -4.982 1.748 6.071 172 2HB GLU 23 3HB GLU 23 -5.937 0.494 6.835 173 1HG GLU 23 2HG GLU 23 -3.982 -0.557 7.750 174 2HG GLU 23 3HG GLU 23 -2.901 0.355 6.678 175 H SER 24 H SER 24 -7.411 -0.186 5.167 176 HA SER 24 HA SER 24 -7.781 -2.833 6.223 177 1HB SER 24 2HB SER 24 -9.870 -1.035 4.925 178 2HB SER 24 3HB SER 24 -10.152 -2.397 6.029 179 HG SER 24 HG SER 24 -8.818 0.047 6.584 180 H SER 25 H SER 25 -8.176 -1.382 2.979 181 HA SER 25 HA SER 25 -9.231 -3.655 1.662 182 1HB SER 25 2HB SER 25 -9.237 -1.413 0.700 183 2HB SER 25 3HB SER 25 -7.471 -1.420 0.562 184 HG SER 25 HG SER 25 -7.617 -2.962 -1.005 185 H LEU 26 H LEU 26 -5.849 -2.727 2.445 186 HA LEU 26 HA LEU 26 -4.747 -4.949 0.952 187 1HB LEU 26 2HB LEU 26 -3.706 -2.773 2.640 188 2HB LEU 26 3HB LEU 26 -2.760 -4.281 2.645 189 HG LEU 26 HG LEU 26 -3.714 -3.257 -0.006 190 1HD1 LEU 26 1HD1 LEU 26 -1.692 -1.873 -0.222 191 2HD1 LEU 26 2HD1 LEU 26 -2.756 -1.291 1.067 192 3HD1 LEU 26 3HD1 LEU 26 -1.286 -2.196 1.479 193 1HD2 LEU 26 1HD2 LEU 26 -2.592 -5.518 0.383 194 2HD2 LEU 26 2HD2 LEU 26 -1.833 -4.460 -0.799 195 3HD2 LEU 26 3HD2 LEU 26 -1.125 -4.622 0.825 196 H THR 27 H THR 27 -5.251 -4.354 4.496 197 HA THR 27 HA THR 27 -3.985 -6.788 5.268 198 HB THR 27 HB THR 27 -5.039 -6.288 7.483 199 HG1 THR 27 1HG THR 27 -6.902 -5.313 6.535 200 1HG2 THR 27 1HG2 THR 27 -3.645 -3.949 6.098 201 2HG2 THR 27 2HG2 THR 27 -3.822 -4.167 7.848 202 3HG2 THR 27 3HG2 THR 27 -2.854 -5.318 6.901 203 H LYS 28 H LYS 28 -5.056 -8.130 3.734 204 HA LYS 28 HA LYS 28 -7.035 -9.913 4.600 205 1HB LYS 28 2HB LYS 28 -8.980 -9.418 3.371 206 2HB LYS 28 3HB LYS 28 -8.568 -7.977 4.266 207 1HG LYS 28 2HG LYS 28 -9.140 -7.013 2.335 208 2HG LYS 28 3HG LYS 28 -7.410 -7.214 2.050 209 1HD LYS 28 2HD LYS 28 -7.819 -9.047 0.493 210 2HD LYS 28 3HD LYS 28 -9.411 -9.338 1.167 211 1HE LYS 28 2HE LYS 28 -9.628 -8.411 -1.048 212 2HE LYS 28 3HE LYS 28 -10.303 -7.313 0.160 213 1HZ LYS 28 1HZ LYS 28 -9.050 -6.091 -1.435 214 2HZ LYS 28 2HZ LYS 28 -8.256 -6.023 -0.009 215 3HZ LYS 28 3HZ LYS 28 -7.674 -6.947 -1.203 216 H HIS 29 H HIS 29 -5.285 -8.427 1.843 217 HA HIS 29 HA HIS 29 -5.932 -10.029 -0.249 218 1HB HIS 29 2HB HIS 29 -3.267 -8.823 0.538 219 2HB HIS 29 3HB HIS 29 -3.442 -9.810 -0.923 220 HD1 HIS 29 1HD HIS 29 -3.705 -8.298 -3.002 221 HD2 HIS 29 2HD HIS 29 -5.779 -7.014 0.428 222 HE1 HIS 29 1HE HIS 29 -5.349 -6.585 -3.755 223 H ARG 30 H ARG 30 -2.906 -10.863 1.367 224 HA ARG 30 HA ARG 30 -3.218 -13.560 1.945 225 1HB ARG 30 2HB ARG 30 -2.091 -14.594 -0.036 226 2HB ARG 30 3HB ARG 30 -3.719 -14.060 -0.371 227 1HG ARG 30 2HG ARG 30 -2.316 -11.836 -1.205 228 2HG ARG 30 3HG ARG 30 -1.114 -13.097 -1.458 229 1HD ARG 30 2HD ARG 30 -2.921 -14.365 -2.802 230 2HD ARG 30 3HD ARG 30 -3.959 -12.965 -2.566 231 HE ARG 30 HE ARG 30 -2.753 -11.710 -4.148 232 1HH1 ARG 30 2HH2 ARG 30 -0.909 -14.643 -3.394 233 2HH1 ARG 30 1HH2 ARG 30 0.446 -14.158 -4.384 234 1HH2 ARG 30 2HH1 ARG 30 -1.302 -11.302 -5.582 235 2HH2 ARG 30 1HH1 ARG 30 0.280 -12.031 -5.572 236 H GLY 31 H GLY 31 -1.274 -14.038 3.059 237 1HA GLY 31 2HA GLY 31 0.930 -13.894 3.677 238 2HA GLY 31 1HA GLY 31 1.232 -12.941 2.225 239 H ILE 32 H ILE 32 0.066 -10.628 2.457 240 HA ILE 32 HA ILE 32 1.358 -8.896 3.972 241 HB ILE 32 HB ILE 32 -0.369 -8.569 2.168 242 1HG1 ILE 32 2HG1 ILE 32 0.411 -6.552 2.743 243 2HG1 ILE 32 3HG1 ILE 32 -1.307 -6.353 3.056 244 1HG2 ILE 32 1HG2 ILE 32 -2.337 -8.214 4.394 245 2HG2 ILE 32 2HG2 ILE 32 -2.591 -8.204 2.641 246 3HG2 ILE 32 3HG2 ILE 32 -2.218 -9.741 3.456 247 1HD1 ILE 32 1HD1 ILE 32 0.894 -6.769 5.090 248 2HD1 ILE 32 2HD1 ILE 32 -0.123 -5.351 4.845 249 3HD1 ILE 32 3HD1 ILE 32 -0.851 -6.819 5.501 250 H LEU 33 H LEU 33 1.782 -8.669 6.052 251 HA LEU 33 HA LEU 33 0.131 -9.969 8.116 252 1HB LEU 33 2HB LEU 33 2.775 -8.476 8.287 253 2HB LEU 33 3HB LEU 33 2.043 -9.442 9.571 254 HG LEU 33 HG LEU 33 2.966 -10.543 6.868 255 1HD1 LEU 33 1HD1 LEU 33 4.285 -10.675 9.608 256 2HD1 LEU 33 2HD1 LEU 33 4.847 -11.486 8.130 257 3HD1 LEU 33 3HD1 LEU 33 4.846 -9.718 8.218 258 1HD2 LEU 33 1HD2 LEU 33 1.189 -11.940 7.863 259 2HD2 LEU 33 2HD2 LEU 33 2.752 -12.747 7.997 260 3HD2 LEU 33 3HD2 LEU 33 2.047 -11.951 9.420 261 H TYR 34 H TYR 34 1.289 -6.667 7.291 262 HA TYR 34 HA TYR 34 -0.889 -5.442 8.833 263 1HB TYR 34 2HB TYR 34 0.902 -5.895 10.522 264 2HB TYR 34 3HB TYR 34 2.067 -5.086 9.508 265 HD1 TYR 34 HD1 TYR 34 -1.304 -4.338 11.041 266 HD2 TYR 34 HD2 TYR 34 2.637 -2.879 10.053 267 HE1 TYR 34 HE1 TYR 34 -1.875 -2.127 11.994 268 HE2 TYR 34 HE2 TYR 34 2.098 -0.716 11.113 269 HH TYR 34 HH TYR 34 -1.194 0.097 12.158 270 H CYS 35 H CYS 35 -1.082 -3.145 8.298 271 HA CYS 35 HA CYS 35 0.766 -2.128 6.213 272 1HB CYS 35 2HB CYS 35 -2.281 -1.861 6.171 273 2HB CYS 35 3HB CYS 35 -1.181 -0.783 5.314 274 HG CYS 35 HG CYS 35 -2.116 -2.354 3.623 275 H SER 36 H SER 36 0.921 0.237 6.362 276 HA SER 36 HA SER 36 -0.948 1.489 8.165 277 1HB SER 36 2HB SER 36 0.919 1.051 9.751 278 2HB SER 36 3HB SER 36 1.963 2.065 8.725 279 HG SER 36 HG SER 36 -0.487 2.937 9.852 280 H VAL 37 H VAL 37 -1.821 3.026 6.848 281 HA VAL 37 HA VAL 37 -0.102 4.293 4.833 282 HB VAL 37 HB VAL 37 -3.127 4.161 5.187 283 1HG1 VAL 37 1HG1 VAL 37 -2.293 5.966 3.642 284 2HG1 VAL 37 2HG1 VAL 37 -1.479 4.701 2.687 285 3HG1 VAL 37 3HG1 VAL 37 -3.245 4.709 2.842 286 1HG2 VAL 37 1HG2 VAL 37 -2.411 1.879 4.970 287 2HG2 VAL 37 2HG2 VAL 37 -2.932 2.359 3.378 288 3HG2 VAL 37 3HG2 VAL 37 -1.212 2.290 3.732 289 H ALA 38 H ALA 38 -0.107 6.605 4.631 290 HA ALA 38 HA ALA 38 -1.361 8.158 6.798 291 1HB ALA 38 1HB ALA 38 0.796 7.594 7.797 292 2HB ALA 38 2HB ALA 38 1.644 8.172 6.341 293 3HB ALA 38 3HB ALA 38 0.722 9.316 7.349 294 H LEU 39 H LEU 39 -1.943 10.097 6.174 295 HA LEU 39 HA LEU 39 -1.981 10.576 3.347 296 1HB LEU 39 2HB LEU 39 -3.526 12.341 3.765 297 2HB LEU 39 3HB LEU 39 -3.925 10.904 4.688 298 HG LEU 39 HG LEU 39 -2.523 12.255 6.606 299 1HD1 LEU 39 1HD1 LEU 39 -3.128 14.630 6.528 300 2HD1 LEU 39 2HD1 LEU 39 -2.210 14.267 5.061 301 3HD1 LEU 39 3HD1 LEU 39 -3.970 14.409 4.984 302 1HD2 LEU 39 1HD2 LEU 39 -4.723 12.991 7.465 303 2HD2 LEU 39 2HD2 LEU 39 -5.458 12.625 5.889 304 3HD2 LEU 39 3HD2 LEU 39 -4.765 11.322 6.879 305 H ALA 40 H ALA 40 -0.517 12.427 6.063 306 HA ALA 40 HA ALA 40 0.557 14.508 4.497 307 1HB ALA 40 1HB ALA 40 1.668 13.264 7.056 308 2HB ALA 40 2HB ALA 40 2.114 14.848 6.386 309 3HB ALA 40 3HB ALA 40 0.457 14.563 6.954 310 H THR 41 H THR 41 2.053 11.352 5.457 311 HA THR 41 HA THR 41 4.502 11.699 4.079 312 HB THR 41 HB THR 41 3.132 9.075 4.640 313 HG1 THR 41 1HG THR 41 4.153 10.823 6.617 314 1HG2 THR 41 1HG2 THR 41 5.369 8.436 5.456 315 2HG2 THR 41 2HG2 THR 41 5.518 9.125 3.824 316 3HG2 THR 41 3HG2 THR 41 5.957 10.097 5.239 317 H ASN 42 H ASN 42 1.266 11.153 2.927 318 HA ASN 42 HA ASN 42 0.329 10.312 1.060 319 1HB ASN 42 2HB ASN 42 2.938 11.341 -0.173 320 2HB ASN 42 3HB ASN 42 1.563 10.747 -1.098 321 1HD2 ASN 42 1HD2 ASN 42 2.183 13.240 1.536 322 2HD2 ASN 42 2HD2 ASN 42 1.139 14.386 0.740 323 H LYS 43 H LYS 43 1.367 8.364 2.714 324 HA LYS 43 HA LYS 43 2.869 6.546 0.887 325 1HB LYS 43 2HB LYS 43 4.468 7.594 2.355 326 2HB LYS 43 3HB LYS 43 3.526 7.090 3.783 327 1HG LYS 43 2HG LYS 43 3.919 4.765 3.336 328 2HG LYS 43 3HG LYS 43 4.695 5.112 1.786 329 1HD LYS 43 2HD LYS 43 5.755 6.027 4.513 330 2HD LYS 43 3HD LYS 43 6.158 4.492 3.747 331 1HE LYS 43 2HE LYS 43 6.853 5.977 1.680 332 2HE LYS 43 3HE LYS 43 6.953 7.274 2.867 333 1HZ LYS 43 1HZ LYS 43 8.531 5.887 4.111 334 2HZ LYS 43 2HZ LYS 43 8.439 4.692 3.006 335 3HZ LYS 43 3HZ LYS 43 9.068 6.129 2.579 336 H ALA 44 H ALA 44 2.418 4.422 0.982 337 HA ALA 44 HA ALA 44 0.750 3.315 3.193 338 1HB ALA 44 1HB ALA 44 0.008 1.599 1.574 339 2HB ALA 44 2HB ALA 44 -0.518 3.218 1.068 340 3HB ALA 44 3HB ALA 44 0.864 2.449 0.269 341 H HIS 45 H HIS 45 2.234 2.328 4.544 342 HA HIS 45 HA HIS 45 4.479 0.865 3.258 343 1HB HIS 45 2HB HIS 45 5.644 0.853 5.118 344 2HB HIS 45 3HB HIS 45 4.776 2.355 5.405 345 HD1 HIS 45 1HD HIS 45 4.458 2.382 7.948 346 HD2 HIS 45 2HD HIS 45 4.113 -1.472 6.296 347 HE1 HIS 45 1HE HIS 45 4.195 0.758 9.888 348 H ILE 46 H ILE 46 4.510 -1.351 3.331 349 HA ILE 46 HA ILE 46 2.152 -2.741 4.464 350 HB ILE 46 HB ILE 46 3.426 -3.326 1.769 351 1HG1 ILE 46 2HG1 ILE 46 0.956 -2.683 1.024 352 2HG1 ILE 46 3HG1 ILE 46 1.055 -1.590 2.411 353 1HG2 ILE 46 1HG2 ILE 46 2.274 -5.176 3.182 354 2HG2 ILE 46 2HG2 ILE 46 0.781 -4.276 2.896 355 3HG2 ILE 46 3HG2 ILE 46 1.692 -4.946 1.535 356 1HD1 ILE 46 1HD1 ILE 46 2.937 -1.769 0.004 357 2HD1 ILE 46 2HD1 ILE 46 1.751 -0.487 0.336 358 3HD1 ILE 46 3HD1 ILE 46 3.188 -0.660 1.359 359 H LYS 47 H LYS 47 2.744 -4.367 5.690 360 HA LYS 47 HA LYS 47 5.522 -5.444 5.753 361 1HB LYS 47 2HB LYS 47 3.189 -5.664 7.655 362 2HB LYS 47 3HB LYS 47 4.689 -6.556 7.849 363 1HG LYS 47 2HG LYS 47 4.747 -3.528 7.578 364 2HG LYS 47 3HG LYS 47 4.341 -4.298 9.116 365 1HD LYS 47 2HD LYS 47 6.419 -5.596 9.113 366 2HD LYS 47 3HD LYS 47 6.883 -4.906 7.554 367 1HE LYS 47 2HE LYS 47 6.813 -2.601 8.636 368 2HE LYS 47 3HE LYS 47 6.476 -3.385 10.184 369 1HZ LYS 47 1HZ LYS 47 8.804 -2.897 9.920 370 2HZ LYS 47 2HZ LYS 47 8.585 -4.526 9.997 371 3HZ LYS 47 3HZ LYS 47 8.895 -3.804 8.552 372 H TYR 48 H TYR 48 4.951 -6.343 3.596 373 HA TYR 48 HA TYR 48 3.579 -8.969 3.816 374 1HB TYR 48 2HB TYR 48 2.952 -8.770 1.568 375 2HB TYR 48 3HB TYR 48 2.541 -7.245 2.297 376 HD1 TYR 48 HD1 TYR 48 4.372 -5.308 2.024 377 HD2 TYR 48 HD2 TYR 48 4.387 -8.860 -0.364 378 HE1 TYR 48 HE1 TYR 48 5.371 -4.042 0.169 379 HE2 TYR 48 HE2 TYR 48 5.104 -7.537 -2.331 380 HH TYR 48 HH TYR 48 5.765 -5.507 -3.098 381 H ASP 49 H ASP 49 4.205 -10.373 1.937 382 HA ASP 49 HA ASP 49 7.068 -10.997 1.966 383 1HB ASP 49 2HB ASP 49 5.932 -13.330 1.600 384 2HB ASP 49 3HB ASP 49 6.061 -12.600 3.195 385 HA PRO 50 HA PRO 50 5.806 -9.696 -2.253 386 1HB PRO 50 2HB PRO 50 8.319 -9.221 -3.328 387 2HB PRO 50 3HB PRO 50 7.439 -8.064 -2.291 388 1HG PRO 50 2HG PRO 50 9.548 -10.048 -1.449 389 2HG PRO 50 3HG PRO 50 9.438 -8.313 -1.026 390 1HD PRO 50 2HD PRO 50 8.599 -10.230 0.638 391 2HD PRO 50 3HD PRO 50 7.631 -8.732 0.494 392 H GLU 51 H GLU 51 7.952 -12.324 -1.367 393 HA GLU 51 HA GLU 51 8.222 -13.585 -3.868 394 1HB GLU 51 2HB GLU 51 7.952 -14.830 -1.093 395 2HB GLU 51 3HB GLU 51 8.599 -15.609 -2.543 396 1HG GLU 51 2HG GLU 51 10.373 -13.824 -2.662 397 2HG GLU 51 3HG GLU 51 9.794 -13.177 -1.115 398 H ILE 52 H ILE 52 5.382 -13.341 -1.728 399 HA ILE 52 HA ILE 52 3.980 -15.338 -3.470 400 HB ILE 52 HB ILE 52 2.527 -15.767 -1.575 401 1HG1 ILE 52 2HG1 ILE 52 4.528 -14.276 0.117 402 2HG1 ILE 52 3HG1 ILE 52 2.863 -13.788 -0.201 403 1HG2 ILE 52 1HG2 ILE 52 4.503 -17.199 -2.254 404 2HG2 ILE 52 2HG2 ILE 52 5.473 -16.364 -1.025 405 3HG2 ILE 52 3HG2 ILE 52 4.085 -17.364 -0.552 406 1HD1 ILE 52 1HD1 ILE 52 2.161 -16.135 0.683 407 2HD1 ILE 52 2HD1 ILE 52 3.790 -16.182 1.401 408 3HD1 ILE 52 3HD1 ILE 52 2.640 -14.916 1.849 409 H ILE 53 H ILE 53 3.245 -12.404 -1.577 410 HA ILE 53 HA ILE 53 0.766 -12.151 -3.113 411 HB ILE 53 HB ILE 53 0.552 -11.423 -0.959 412 1HG1 ILE 53 2HG1 ILE 53 0.496 -9.051 -2.891 413 2HG1 ILE 53 3HG1 ILE 53 -0.726 -10.321 -2.775 414 1HG2 ILE 53 1HG2 ILE 53 1.614 -9.643 0.096 415 2HG2 ILE 53 2HG2 ILE 53 2.924 -10.616 -0.571 416 3HG2 ILE 53 3HG2 ILE 53 2.418 -9.104 -1.393 417 1HD1 ILE 53 1HD1 ILE 53 -1.141 -9.604 -0.398 418 2HD1 ILE 53 2HD1 ILE 53 -0.024 -8.250 -0.650 419 3HD1 ILE 53 3HD1 ILE 53 -1.500 -8.357 -1.613 420 H GLY 54 H GLY 54 3.596 -10.088 -2.807 421 1HA GLY 54 2HA GLY 54 5.015 -9.451 -4.473 422 2HA GLY 54 1HA GLY 54 3.866 -9.879 -5.745 423 HA PRO 55 HA PRO 55 3.969 -5.164 -4.442 424 1HB PRO 55 2HB PRO 55 5.388 -4.259 -6.675 425 2HB PRO 55 3HB PRO 55 6.041 -4.532 -5.045 426 1HG PRO 55 2HG PRO 55 6.146 -6.366 -7.432 427 2HG PRO 55 3HG PRO 55 7.434 -6.029 -6.241 428 1HD PRO 55 2HD PRO 55 5.937 -8.293 -6.124 429 2HD PRO 55 3HD PRO 55 6.397 -7.472 -4.616 430 H ARG 56 H ARG 56 3.719 -6.755 -7.667 431 HA ARG 56 HA ARG 56 2.129 -4.820 -8.927 432 1HB ARG 56 2HB ARG 56 2.231 -7.832 -9.354 433 2HB ARG 56 3HB ARG 56 1.428 -6.684 -10.438 434 1HG ARG 56 2HG ARG 56 3.548 -5.480 -10.798 435 2HG ARG 56 3HG ARG 56 4.398 -6.625 -9.740 436 1HD ARG 56 2HD ARG 56 3.755 -8.488 -11.237 437 2HD ARG 56 3HD ARG 56 2.917 -7.332 -12.307 438 HE ARG 56 HE ARG 56 5.544 -6.392 -11.993 439 1HH1 ARG 56 2HH2 ARG 56 3.911 -9.178 -13.387 440 2HH1 ARG 56 1HH2 ARG 56 5.126 -9.519 -14.580 441 1HH2 ARG 56 2HH1 ARG 56 7.197 -6.795 -13.569 442 2HH2 ARG 56 1HH1 ARG 56 7.043 -8.111 -14.684 443 H ASP 57 H ASP 57 1.010 -7.722 -7.161 444 HA ASP 57 HA ASP 57 -1.761 -7.574 -7.526 445 1HB ASP 57 2HB ASP 57 -0.578 -9.437 -6.491 446 2HB ASP 57 3HB ASP 57 -0.069 -8.434 -5.134 447 H ILE 58 H ILE 58 0.194 -6.205 -4.921 448 HA ILE 58 HA ILE 58 -1.795 -4.653 -3.622 449 HB ILE 58 HB ILE 58 1.236 -4.294 -3.817 450 1HG1 ILE 58 2HG1 ILE 58 -0.577 -5.857 -1.948 451 2HG1 ILE 58 3HG1 ILE 58 0.724 -6.455 -2.967 452 1HG2 ILE 58 1HG2 ILE 58 -0.766 -2.980 -1.963 453 2HG2 ILE 58 2HG2 ILE 58 1.000 -2.924 -1.750 454 3HG2 ILE 58 3HG2 ILE 58 0.263 -2.196 -3.159 455 1HD1 ILE 58 1HD1 ILE 58 1.013 -4.743 -0.509 456 2HD1 ILE 58 2HD1 ILE 58 1.525 -6.425 -0.722 457 3HD1 ILE 58 3HD1 ILE 58 2.363 -5.131 -1.610 458 H ILE 59 H ILE 59 0.738 -3.477 -5.854 459 HA ILE 59 HA ILE 59 -0.070 -0.826 -5.945 460 HB ILE 59 HB ILE 59 1.326 -2.603 -7.967 461 1HG1 ILE 59 2HG1 ILE 59 2.397 -0.314 -6.251 462 2HG1 ILE 59 3HG1 ILE 59 2.357 -1.982 -5.687 463 1HG2 ILE 59 1HG2 ILE 59 2.040 -0.590 -9.195 464 2HG2 ILE 59 2HG2 ILE 59 0.295 -0.759 -9.269 465 3HG2 ILE 59 3HG2 ILE 59 1.022 0.420 -8.154 466 1HD1 ILE 59 1HD1 ILE 59 3.733 -2.654 -7.688 467 2HD1 ILE 59 2HD1 ILE 59 3.942 -0.926 -8.054 468 3HD1 ILE 59 3HD1 ILE 59 4.546 -1.587 -6.526 469 H HIS 60 H HIS 60 -1.135 -3.462 -8.163 470 HA HIS 60 HA HIS 60 -2.773 -1.637 -9.664 471 1HB HIS 60 2HB HIS 60 -2.719 -4.659 -9.615 472 2HB HIS 60 3HB HIS 60 -3.648 -3.673 -10.758 473 HD1 HIS 60 1HD HIS 60 -1.591 -1.459 -11.567 474 HD2 HIS 60 2HD HIS 60 -0.653 -5.536 -10.981 475 HE1 HIS 60 1HE HIS 60 0.607 -1.900 -12.786 476 H THR 61 H THR 61 -3.405 -3.602 -6.773 477 HA THR 61 HA THR 61 -6.282 -3.221 -6.963 478 HB THR 61 HB THR 61 -4.572 -3.826 -4.522 479 HG1 THR 61 1HG THR 61 -4.376 -5.427 -6.049 480 1HG2 THR 61 1HG2 THR 61 -6.817 -2.980 -3.912 481 2HG2 THR 61 2HG2 THR 61 -7.570 -4.075 -5.092 482 3HG2 THR 61 3HG2 THR 61 -6.754 -4.722 -3.661 483 H ILE 62 H ILE 62 -3.630 -1.509 -5.176 484 HA ILE 62 HA ILE 62 -5.423 0.460 -4.108 485 HB ILE 62 HB ILE 62 -2.406 0.563 -4.472 486 1HG1 ILE 62 2HG1 ILE 62 -2.765 -1.335 -3.094 487 2HG1 ILE 62 3HG1 ILE 62 -2.499 -0.030 -1.956 488 1HG2 ILE 62 1HG2 ILE 62 -3.285 2.795 -4.049 489 2HG2 ILE 62 2HG2 ILE 62 -4.268 2.191 -2.697 490 3HG2 ILE 62 3HG2 ILE 62 -2.496 2.192 -2.592 491 1HD1 ILE 62 1HD1 ILE 62 -4.314 -1.312 -1.129 492 2HD1 ILE 62 2HD1 ILE 62 -5.085 0.132 -1.805 493 3HD1 ILE 62 3HD1 ILE 62 -5.097 -1.403 -2.707 494 H GLU 63 H GLU 63 -3.609 0.332 -7.157 495 HA GLU 63 HA GLU 63 -4.210 2.870 -8.187 496 1HB GLU 63 2HB GLU 63 -2.649 1.142 -9.092 497 2HB GLU 63 3HB GLU 63 -4.041 0.148 -9.532 498 1HG GLU 63 2HG GLU 63 -4.796 1.865 -11.067 499 2HG GLU 63 3HG GLU 63 -3.388 2.867 -10.654 500 H SER 64 H SER 64 -5.944 -0.242 -8.591 501 HA SER 64 HA SER 64 -8.221 0.662 -9.872 502 1HB SER 64 2HB SER 64 -7.528 -1.662 -9.646 503 2HB SER 64 3HB SER 64 -8.031 -1.669 -7.940 504 HG SER 64 HG SER 64 -9.624 -2.496 -9.414 505 H LEU 65 H LEU 65 -7.681 0.578 -6.313 506 HA LEU 65 HA LEU 65 -10.288 1.340 -5.536 507 1HB LEU 65 2HB LEU 65 -7.555 1.699 -4.307 508 2HB LEU 65 3HB LEU 65 -8.862 2.687 -3.683 509 HG LEU 65 HG LEU 65 -8.620 0.827 -2.279 510 1HD1 LEU 65 1HD1 LEU 65 -10.943 1.673 -2.743 511 2HD1 LEU 65 2HD1 LEU 65 -11.169 0.296 -3.847 512 3HD1 LEU 65 3HD1 LEU 65 -10.845 0.006 -2.139 513 1HD2 LEU 65 1HD2 LEU 65 -7.575 -0.775 -3.697 514 2HD2 LEU 65 2HD2 LEU 65 -9.036 -1.499 -3.009 515 3HD2 LEU 65 3HD2 LEU 65 -9.040 -0.956 -4.701 516 H GLY 66 H GLY 66 -7.977 3.283 -7.258 517 1HA GLY 66 2HA GLY 66 -8.651 5.244 -8.371 518 2HA GLY 66 1HA GLY 66 -9.831 5.620 -7.110 519 H PHE 67 H PHE 67 -6.358 4.714 -7.042 520 HA PHE 67 HA PHE 67 -5.602 7.395 -6.038 521 1HB PHE 67 2HB PHE 67 -4.600 4.758 -4.887 522 2HB PHE 67 3HB PHE 67 -4.076 6.368 -4.403 523 HD1 PHE 67 1HD PHE 67 -6.266 7.965 -3.821 524 HD2 PHE 67 2HD PHE 67 -6.099 3.688 -3.412 525 HE1 PHE 67 1HE PHE 67 -8.113 8.057 -2.192 526 HE2 PHE 67 2HE PHE 67 -7.882 3.787 -1.689 527 HZ PHE 67 HZ PHE 67 -8.886 5.962 -1.067 528 H GLU 68 H GLU 68 -3.185 7.633 -6.330 529 HA GLU 68 HA GLU 68 -2.232 6.076 -8.720 530 1HB GLU 68 2HB GLU 68 -1.573 8.869 -7.783 531 2HB GLU 68 3HB GLU 68 -0.821 8.044 -9.154 532 1HG GLU 68 2HG GLU 68 -2.995 7.963 -10.317 533 2HG GLU 68 3HG GLU 68 -3.788 8.734 -8.928 534 HA PRO 69 HA PRO 69 0.663 4.995 -5.343 535 1HB PRO 69 2HB PRO 69 0.902 2.310 -5.750 536 2HB PRO 69 3HB PRO 69 -0.503 3.018 -4.898 537 1HG PRO 69 2HG PRO 69 -0.335 2.228 -7.812 538 2HG PRO 69 3HG PRO 69 -1.597 1.811 -6.620 539 1HD PRO 69 2HD PRO 69 -1.835 3.904 -8.380 540 2HD PRO 69 3HD PRO 69 -2.504 3.991 -6.722 541 H SER 70 H SER 70 2.897 4.691 -5.454 542 HA SER 70 HA SER 70 4.178 3.460 -7.761 543 1HB SER 70 2HB SER 70 4.515 6.421 -7.090 544 2HB SER 70 3HB SER 70 5.729 5.500 -7.997 545 HG SER 70 HG SER 70 3.056 5.371 -8.844 546 H LEU 71 H LEU 71 6.288 2.732 -7.124 547 HA LEU 71 HA LEU 71 6.652 2.111 -4.385 548 1HB LEU 71 2HB LEU 71 8.641 2.252 -6.699 549 2HB LEU 71 3HB LEU 71 9.029 1.667 -5.081 550 HG LEU 71 HG LEU 71 7.227 -0.070 -5.307 551 1HD1 LEU 71 1HD1 LEU 71 5.823 0.702 -7.109 552 2HD1 LEU 71 2HD1 LEU 71 7.219 0.869 -8.207 553 3HD1 LEU 71 3HD1 LEU 71 6.661 -0.732 -7.690 554 1HD2 LEU 71 1HD2 LEU 71 9.508 -0.126 -7.333 555 2HD2 LEU 71 2HD2 LEU 71 9.640 -0.541 -5.610 556 3HD2 LEU 71 3HD2 LEU 71 8.658 -1.546 -6.686 557 H VAL 72 H VAL 72 7.622 3.266 -2.663 558 HA VAL 72 HA VAL 72 7.915 6.056 -3.013 559 HB VAL 72 HB VAL 72 7.409 5.083 -0.856 560 1HG1 VAL 72 1HG1 VAL 72 9.004 3.121 -0.873 561 2HG1 VAL 72 2HG1 VAL 72 10.343 4.259 -0.613 562 3HG1 VAL 72 3HG1 VAL 72 9.079 4.102 0.597 563 1HG2 VAL 72 1HG2 VAL 72 10.011 6.682 -0.753 564 2HG2 VAL 72 2HG2 VAL 72 8.427 7.383 -1.098 565 3HG2 VAL 72 3HG2 VAL 72 8.746 6.634 0.473 566 H LYS 73 H LYS 73 10.461 3.568 -2.778 567 HA LYS 73 HA LYS 73 12.601 3.496 -3.498 568 1HB LYS 73 2HB LYS 73 11.378 4.460 -5.565 569 2HB LYS 73 3HB LYS 73 12.111 6.010 -5.127 570 1HG LYS 73 2HG LYS 73 14.322 5.132 -5.517 571 2HG LYS 73 3HG LYS 73 13.688 3.480 -5.764 572 1HD LYS 73 2HD LYS 73 12.615 4.087 -7.823 573 2HD LYS 73 3HD LYS 73 12.570 5.789 -7.377 574 1HE LYS 73 2HE LYS 73 14.181 5.678 -9.097 575 2HE LYS 73 3HE LYS 73 14.998 5.972 -7.580 576 1HZ LYS 73 1HZ LYS 73 15.550 3.579 -7.551 577 2HZ LYS 73 2HZ LYS 73 14.915 3.440 -9.080 578 3HZ LYS 73 3HZ LYS 73 16.199 4.429 -8.783 579 H ILE 74 H ILE 74 14.749 4.879 -3.491 580 HA ILE 74 HA ILE 74 14.590 7.262 -1.727 581 HB ILE 74 HB ILE 74 16.639 5.029 -1.381 582 1HG1 ILE 74 2HG1 ILE 74 14.341 5.865 0.444 583 2HG1 ILE 74 3HG1 ILE 74 14.438 4.357 -0.483 584 1HG2 ILE 74 1HG2 ILE 74 17.506 6.383 0.444 585 2HG2 ILE 74 2HG2 ILE 74 17.448 7.404 -0.981 586 3HG2 ILE 74 3HG2 ILE 74 16.191 7.565 0.256 587 1HD1 ILE 74 1HD1 ILE 74 16.240 5.148 1.824 588 2HD1 ILE 74 2HD1 ILE 74 15.055 3.838 1.748 589 3HD1 ILE 74 3HD1 ILE 74 16.521 3.751 0.752 590 H GLU 75 H GLU 75 17.093 5.314 -3.354 591 HA GLU 75 HA GLU 75 18.594 5.702 -4.899 592 1HB GLU 75 2HB GLU 75 16.503 6.813 -6.122 593 2HB GLU 75 3HB GLU 75 17.405 8.298 -5.886 594 1HG GLU 75 2HG GLU 75 18.965 7.732 -7.480 595 2HG GLU 75 3HG GLU 75 19.010 6.031 -7.016 Start of MODEL 10 1 1H MET 1 H1 MET 1 10.189 -14.438 1.503 2 2H MET 1 H2 MET 1 10.045 -15.955 1.115 3 3H MET 1 H3 MET 1 8.912 -15.271 2.108 4 HA MET 1 HA MET 1 10.679 -16.835 3.104 5 1HB MET 1 2HB MET 1 12.233 -14.215 2.926 6 2HB MET 1 3HB MET 1 12.679 -15.633 3.898 7 1HG MET 1 2HG MET 1 12.739 -16.977 1.744 8 2HG MET 1 3HG MET 1 12.465 -15.465 0.873 9 1HE MET 1 1HE MET 1 16.371 -16.497 3.085 10 2HE MET 1 2HE MET 1 14.894 -16.157 4.006 11 3HE MET 1 3HE MET 1 14.977 -17.592 2.951 12 H GLY 2 H GLY 2 11.420 -13.906 4.798 13 1HA GLY 2 2HA GLY 2 9.464 -14.616 6.884 14 2HA GLY 2 1HA GLY 2 10.710 -13.366 6.954 15 H ASP 3 H ASP 3 10.402 -11.434 5.525 16 HA ASP 3 HA ASP 3 7.988 -11.026 4.151 17 1HB ASP 3 2HB ASP 3 7.046 -9.152 5.265 18 2HB ASP 3 3HB ASP 3 7.183 -10.423 6.478 19 H GLY 4 H GLY 4 8.106 -8.615 3.347 20 1HA GLY 4 2HA GLY 4 10.748 -7.379 3.459 21 2HA GLY 4 1HA GLY 4 10.060 -7.664 1.836 22 H VAL 5 H VAL 5 10.352 -5.050 2.484 23 HA VAL 5 HA VAL 5 7.594 -4.191 3.102 24 HB VAL 5 HB VAL 5 8.146 -2.512 4.444 25 1HG1 VAL 5 1HG1 VAL 5 9.836 -3.070 6.060 26 2HG1 VAL 5 2HG1 VAL 5 9.093 -4.580 5.494 27 3HG1 VAL 5 3HG1 VAL 5 10.701 -4.103 4.906 28 1HG2 VAL 5 1HG2 VAL 5 10.269 -1.250 4.494 29 2HG2 VAL 5 2HG2 VAL 5 10.867 -2.223 3.131 30 3HG2 VAL 5 3HG2 VAL 5 9.443 -1.160 2.939 31 H LEU 6 H LEU 6 6.749 -2.612 1.720 32 HA LEU 6 HA LEU 6 8.565 -1.475 -0.338 33 1HB LEU 6 2HB LEU 6 7.224 -3.475 -1.197 34 2HB LEU 6 3HB LEU 6 5.789 -2.461 -1.079 35 HG LEU 6 HG LEU 6 8.329 -1.827 -2.684 36 1HD1 LEU 6 1HD1 LEU 6 7.227 -3.808 -3.554 37 2HD1 LEU 6 2HD1 LEU 6 5.659 -2.963 -3.593 38 3HD1 LEU 6 3HD1 LEU 6 6.982 -2.453 -4.666 39 1HD2 LEU 6 1HD2 LEU 6 5.598 -0.495 -2.607 40 2HD2 LEU 6 2HD2 LEU 6 7.174 0.254 -2.256 41 3HD2 LEU 6 3HD2 LEU 6 6.780 -0.224 -3.903 42 H GLU 7 H GLU 7 8.534 0.608 0.059 43 HA GLU 7 HA GLU 7 6.225 2.029 1.252 44 1HB GLU 7 2HB GLU 7 9.050 2.832 0.518 45 2HB GLU 7 3HB GLU 7 7.817 3.914 1.200 46 1HG GLU 7 2HG GLU 7 7.679 2.494 3.222 47 2HG GLU 7 3HG GLU 7 8.899 1.408 2.521 48 H LEU 8 H LEU 8 4.758 1.864 -0.498 49 HA LEU 8 HA LEU 8 5.635 3.135 -3.024 50 1HB LEU 8 2HB LEU 8 3.188 2.516 -3.748 51 2HB LEU 8 3HB LEU 8 4.511 1.381 -3.803 52 HG LEU 8 HG LEU 8 3.740 0.437 -1.554 53 1HD1 LEU 8 1HD1 LEU 8 1.222 1.963 -2.315 54 2HD1 LEU 8 2HD1 LEU 8 1.382 0.777 -1.003 55 3HD1 LEU 8 3HD1 LEU 8 2.240 2.322 -0.908 56 1HD2 LEU 8 1HD2 LEU 8 3.400 -0.687 -3.725 57 2HD2 LEU 8 2HD2 LEU 8 2.038 -0.932 -2.620 58 3HD2 LEU 8 3HD2 LEU 8 1.894 0.227 -3.955 59 H VAL 9 H VAL 9 4.998 5.159 -3.581 60 HA VAL 9 HA VAL 9 3.545 6.814 -1.604 61 HB VAL 9 HB VAL 9 5.150 7.353 -4.082 62 1HG1 VAL 9 1HG1 VAL 9 3.047 8.557 -4.590 63 2HG1 VAL 9 2HG1 VAL 9 3.086 9.282 -2.961 64 3HG1 VAL 9 3HG1 VAL 9 4.349 9.663 -4.144 65 1HG2 VAL 9 1HG2 VAL 9 4.870 8.818 -1.404 66 2HG2 VAL 9 2HG2 VAL 9 6.073 7.539 -1.715 67 3HG2 VAL 9 3HG2 VAL 9 6.129 9.063 -2.624 68 H VAL 10 H VAL 10 1.513 7.662 -2.179 69 HA VAL 10 HA VAL 10 -0.141 6.432 -4.301 70 HB VAL 10 HB VAL 10 -1.751 5.715 -2.384 71 1HG1 VAL 10 1HG1 VAL 10 -0.732 3.497 -2.204 72 2HG1 VAL 10 2HG1 VAL 10 -0.785 4.072 -3.891 73 3HG1 VAL 10 3HG1 VAL 10 0.736 4.085 -2.956 74 1HG2 VAL 10 1HG2 VAL 10 -0.202 6.731 -0.632 75 2HG2 VAL 10 2HG2 VAL 10 -0.732 5.046 -0.346 76 3HG2 VAL 10 3HG2 VAL 10 0.900 5.373 -0.967 77 H ARG 11 H ARG 11 0.533 8.920 -4.374 78 HA ARG 11 HA ARG 11 -1.087 10.791 -2.923 79 1HB ARG 11 2HB ARG 11 -0.078 10.929 -5.772 80 2HB ARG 11 3HB ARG 11 -0.713 12.294 -4.868 81 1HG ARG 11 2HG ARG 11 1.203 12.593 -3.632 82 2HG ARG 11 3HG ARG 11 1.565 10.857 -3.554 83 1HD ARG 11 2HD ARG 11 2.209 10.777 -5.832 84 2HD ARG 11 3HD ARG 11 1.837 12.504 -6.085 85 HE ARG 11 HE ARG 11 3.815 12.238 -4.012 86 1HH1 ARG 11 2HH2 ARG 11 3.360 11.407 -7.421 87 2HH1 ARG 11 1HH2 ARG 11 5.022 11.664 -7.864 88 1HH2 ARG 11 2HH1 ARG 11 6.014 12.404 -4.502 89 2HH2 ARG 11 1HH1 ARG 11 6.616 12.270 -6.135 90 H GLY 12 H GLY 12 -2.971 11.890 -3.728 91 1HA GLY 12 2HA GLY 12 -5.109 11.781 -4.941 92 2HA GLY 12 1HA GLY 12 -4.946 10.021 -5.006 93 H MET 13 H MET 13 -3.769 9.677 -2.371 94 HA MET 13 HA MET 13 -5.814 10.054 -0.393 95 1HB MET 13 2HB MET 13 -2.800 9.716 -0.398 96 2HB MET 13 3HB MET 13 -3.667 10.035 1.115 97 1HG MET 13 2HG MET 13 -4.817 8.017 1.045 98 2HG MET 13 3HG MET 13 -4.558 7.782 -0.694 99 1HE MET 13 1HE MET 13 -1.177 7.211 2.370 100 2HE MET 13 2HE MET 13 -1.576 8.796 1.685 101 3HE MET 13 3HE MET 13 -2.736 7.978 2.778 102 H THR 14 H THR 14 -6.096 11.791 1.033 103 HA THR 14 HA THR 14 -4.542 14.196 0.976 104 HB THR 14 HB THR 14 -5.426 14.520 -1.242 105 HG1 THR 14 1HG THR 14 -5.383 16.340 0.075 106 1HG2 THR 14 1HG2 THR 14 -8.288 14.379 -0.236 107 2HG2 THR 14 2HG2 THR 14 -7.695 14.559 -1.884 108 3HG2 THR 14 3HG2 THR 14 -7.484 13.015 -1.054 109 H CYS 15 H CYS 15 -7.909 13.028 1.308 110 HA CYS 15 HA CYS 15 -8.199 14.328 3.949 111 1HB CYS 15 2HB CYS 15 -10.025 14.250 2.124 112 2HB CYS 15 3HB CYS 15 -10.158 12.515 2.484 113 HG CYS 15 HG CYS 15 -12.097 13.609 3.688 114 H ALA 16 H ALA 16 -9.133 12.763 5.701 115 HA ALA 16 HA ALA 16 -7.710 10.229 5.930 116 1HB ALA 16 1HB ALA 16 -10.145 11.274 7.436 117 2HB ALA 16 2HB ALA 16 -9.097 9.923 7.917 118 3HB ALA 16 3HB ALA 16 -8.454 11.573 7.904 119 H SER 17 H SER 17 -9.807 8.513 6.675 120 HA SER 17 HA SER 17 -11.212 6.989 5.842 121 1HB SER 17 2HB SER 17 -11.973 8.754 3.484 122 2HB SER 17 3HB SER 17 -12.848 7.401 4.202 123 HG SER 17 HG SER 17 -12.289 9.907 5.413 124 H CYS 18 H CYS 18 -9.625 8.607 3.020 125 HA CYS 18 HA CYS 18 -8.971 6.552 1.326 126 1HB CYS 18 2HB CYS 18 -7.092 8.771 2.258 127 2HB CYS 18 3HB CYS 18 -6.978 7.813 0.762 128 HG CYS 18 HG CYS 18 -9.186 8.587 -0.288 129 H VAL 19 H VAL 19 -7.100 7.507 4.207 130 HA VAL 19 HA VAL 19 -5.112 5.682 4.364 131 HB VAL 19 HB VAL 19 -6.945 6.581 6.618 132 1HG1 VAL 19 1HG1 VAL 19 -5.016 6.111 8.097 133 2HG1 VAL 19 2HG1 VAL 19 -5.593 4.625 7.340 134 3HG1 VAL 19 3HG1 VAL 19 -4.128 5.420 6.729 135 1HG2 VAL 19 1HG2 VAL 19 -4.296 7.681 5.563 136 2HG2 VAL 19 2HG2 VAL 19 -5.876 8.481 5.435 137 3HG2 VAL 19 3HG2 VAL 19 -5.137 8.244 7.019 138 H HIS 20 H HIS 20 -8.402 4.949 5.738 139 HA HIS 20 HA HIS 20 -7.591 2.176 6.075 140 1HB HIS 20 2HB HIS 20 -9.045 2.154 7.687 141 2HB HIS 20 3HB HIS 20 -9.324 3.867 7.435 142 HD1 HIS 20 1HD HIS 20 -11.343 1.166 8.171 143 HD2 HIS 20 2HD HIS 20 -11.305 3.928 5.004 144 HE1 HIS 20 1HE HIS 20 -13.703 1.224 7.213 145 H LYS 21 H LYS 21 -9.296 4.065 3.686 146 HA LYS 21 HA LYS 21 -10.720 2.081 2.278 147 1HB LYS 21 2HB LYS 21 -10.265 4.712 1.939 148 2HB LYS 21 3HB LYS 21 -9.135 4.137 0.731 149 1HG LYS 21 2HG LYS 21 -12.047 3.234 0.773 150 2HG LYS 21 3HG LYS 21 -11.552 4.786 0.095 151 1HD LYS 21 2HD LYS 21 -9.975 3.637 -1.447 152 2HD LYS 21 3HD LYS 21 -10.567 2.068 -0.856 153 1HE LYS 21 2HE LYS 21 -12.853 2.625 -1.631 154 2HE LYS 21 3HE LYS 21 -12.336 4.257 -2.089 155 1HZ LYS 21 1HZ LYS 21 -10.945 3.314 -3.799 156 2HZ LYS 21 2HZ LYS 21 -11.372 1.786 -3.361 157 3HZ LYS 21 3HZ LYS 21 -12.488 2.818 -3.980 158 H ILE 22 H ILE 22 -7.313 2.954 2.362 159 HA ILE 22 HA ILE 22 -6.535 0.813 0.495 160 HB ILE 22 HB ILE 22 -4.744 2.568 2.217 161 1HG1 ILE 22 2HG1 ILE 22 -5.908 2.979 -0.530 162 2HG1 ILE 22 3HG1 ILE 22 -5.951 4.019 0.929 163 1HG2 ILE 22 1HG2 ILE 22 -4.305 0.972 -0.315 164 2HG2 ILE 22 2HG2 ILE 22 -3.051 1.879 0.567 165 3HG2 ILE 22 3HG2 ILE 22 -3.775 0.435 1.303 166 1HD1 ILE 22 1HD1 ILE 22 -3.626 3.659 -0.912 167 2HD1 ILE 22 2HD1 ILE 22 -4.550 5.115 -0.467 168 3HD1 ILE 22 3HD1 ILE 22 -3.511 4.329 0.738 169 H GLU 23 H GLU 23 -5.697 1.634 3.883 170 HA GLU 23 HA GLU 23 -4.388 -0.654 4.471 171 1HB GLU 23 2HB GLU 23 -5.166 1.619 5.859 172 2HB GLU 23 3HB GLU 23 -6.007 0.379 6.780 173 1HG GLU 23 2HG GLU 23 -3.918 -0.682 7.323 174 2HG GLU 23 3HG GLU 23 -3.076 0.221 6.032 175 H SER 24 H SER 24 -7.858 -0.174 5.089 176 HA SER 24 HA SER 24 -8.282 -2.686 6.419 177 1HB SER 24 2HB SER 24 -9.811 -0.691 6.515 178 2HB SER 24 3HB SER 24 -10.327 -1.045 4.852 179 HG SER 24 HG SER 24 -11.711 -1.983 6.434 180 H SER 25 H SER 25 -8.663 -1.613 3.028 181 HA SER 25 HA SER 25 -9.661 -4.135 2.093 182 1HB SER 25 2HB SER 25 -9.992 -1.927 0.973 183 2HB SER 25 3HB SER 25 -8.295 -1.930 0.502 184 HG SER 25 HG SER 25 -8.682 -3.602 -0.862 185 H LEU 26 H LEU 26 -6.342 -2.666 2.098 186 HA LEU 26 HA LEU 26 -5.182 -4.860 0.717 187 1HB LEU 26 2HB LEU 26 -4.095 -2.574 2.333 188 2HB LEU 26 3HB LEU 26 -3.038 -3.944 1.968 189 HG LEU 26 HG LEU 26 -2.847 -2.124 0.378 190 1HD1 LEU 26 1HD1 LEU 26 -2.696 -3.491 -1.606 191 2HD1 LEU 26 2HD1 LEU 26 -2.208 -4.446 -0.192 192 3HD1 LEU 26 3HD1 LEU 26 -3.796 -4.702 -0.943 193 1HD2 LEU 26 1HD2 LEU 26 -5.633 -2.932 -0.582 194 2HD2 LEU 26 2HD2 LEU 26 -5.192 -1.394 0.186 195 3HD2 LEU 26 3HD2 LEU 26 -4.539 -1.811 -1.401 196 H THR 27 H THR 27 -5.673 -4.353 4.247 197 HA THR 27 HA THR 27 -4.176 -6.598 4.980 198 HB THR 27 HB THR 27 -5.579 -6.739 7.025 199 HG1 THR 27 1HG THR 27 -7.144 -4.909 5.598 200 1HG2 THR 27 1HG2 THR 27 -3.588 -5.374 6.994 201 2HG2 THR 27 2HG2 THR 27 -4.451 -4.019 6.248 202 3HG2 THR 27 3HG2 THR 27 -4.866 -4.534 7.891 203 H LYS 28 H LYS 28 -7.103 -6.690 3.117 204 HA LYS 28 HA LYS 28 -7.986 -9.342 3.820 205 1HB LYS 28 2HB LYS 28 -8.091 -7.874 1.166 206 2HB LYS 28 3HB LYS 28 -9.020 -9.319 1.587 207 1HG LYS 28 2HG LYS 28 -10.120 -8.064 3.455 208 2HG LYS 28 3HG LYS 28 -9.305 -6.593 2.944 209 1HD LYS 28 2HD LYS 28 -11.385 -8.198 1.399 210 2HD LYS 28 3HD LYS 28 -11.539 -6.571 2.087 211 1HE LYS 28 2HE LYS 28 -9.573 -5.934 0.473 212 2HE LYS 28 3HE LYS 28 -9.905 -7.460 -0.343 213 1HZ LYS 28 1HZ LYS 28 -10.981 -5.576 -1.331 214 2HZ LYS 28 2HZ LYS 28 -12.135 -6.605 -0.751 215 3HZ LYS 28 3HZ LYS 28 -11.762 -5.205 0.053 216 H HIS 29 H HIS 29 -5.307 -8.094 1.828 217 HA HIS 29 HA HIS 29 -4.992 -10.524 0.262 218 1HB HIS 29 2HB HIS 29 -3.308 -8.015 0.620 219 2HB HIS 29 3HB HIS 29 -2.827 -9.386 -0.361 220 HD1 HIS 29 1HD HIS 29 -3.612 -9.417 -2.843 221 HD2 HIS 29 2HD HIS 29 -5.710 -6.791 -0.287 222 HE1 HIS 29 1HE HIS 29 -5.184 -8.117 -4.292 223 H ARG 30 H ARG 30 -5.006 -11.909 2.233 224 HA ARG 30 HA ARG 30 -3.004 -12.414 4.066 225 1HB ARG 30 2HB ARG 30 -4.251 -14.328 2.077 226 2HB ARG 30 3HB ARG 30 -3.366 -14.848 3.523 227 1HG ARG 30 2HG ARG 30 -5.015 -13.828 4.987 228 2HG ARG 30 3HG ARG 30 -5.898 -13.134 3.624 229 1HD ARG 30 2HD ARG 30 -5.556 -16.125 4.163 230 2HD ARG 30 3HD ARG 30 -6.978 -15.158 4.493 231 HE ARG 30 HE ARG 30 -7.512 -14.928 2.260 232 1HH1 ARG 30 2HH2 ARG 30 -4.502 -16.762 2.540 233 2HH1 ARG 30 1HH2 ARG 30 -4.567 -17.418 0.937 234 1HH2 ARG 30 2HH1 ARG 30 -7.602 -15.749 0.115 235 2HH2 ARG 30 1HH1 ARG 30 -6.361 -16.803 -0.476 236 H GLY 31 H GLY 31 -0.854 -11.785 3.573 237 1HA GLY 31 2HA GLY 31 1.101 -13.185 2.362 238 2HA GLY 31 1HA GLY 31 0.296 -12.458 0.954 239 H ILE 32 H ILE 32 -0.593 -10.083 1.974 240 HA ILE 32 HA ILE 32 1.473 -8.362 2.980 241 HB ILE 32 HB ILE 32 -1.148 -8.122 2.001 242 1HG1 ILE 32 2HG1 ILE 32 0.548 -6.366 1.853 243 2HG1 ILE 32 3HG1 ILE 32 -1.061 -5.811 2.321 244 1HG2 ILE 32 1HG2 ILE 32 -2.162 -8.806 4.103 245 2HG2 ILE 32 2HG2 ILE 32 -1.182 -7.630 5.002 246 3HG2 ILE 32 3HG2 ILE 32 -2.389 -7.067 3.834 247 1HD1 ILE 32 1HD1 ILE 32 1.218 -6.332 4.215 248 2HD1 ILE 32 2HD1 ILE 32 0.673 -4.725 3.666 249 3HD1 ILE 32 3HD1 ILE 32 -0.372 -5.699 4.685 250 H LEU 33 H LEU 33 1.922 -8.128 5.167 251 HA LEU 33 HA LEU 33 0.542 -9.865 7.180 252 1HB LEU 33 2HB LEU 33 3.244 -8.430 7.348 253 2HB LEU 33 3HB LEU 33 2.419 -9.248 8.662 254 HG LEU 33 HG LEU 33 4.155 -10.593 7.940 255 1HD1 LEU 33 1HD1 LEU 33 1.635 -11.867 6.788 256 2HD1 LEU 33 2HD1 LEU 33 3.057 -12.702 7.433 257 3HD1 LEU 33 3HD1 LEU 33 2.022 -11.760 8.522 258 1HD2 LEU 33 1HD2 LEU 33 4.559 -11.475 5.752 259 2HD2 LEU 33 2HD2 LEU 33 3.101 -10.717 5.104 260 3HD2 LEU 33 3HD2 LEU 33 4.468 -9.710 5.651 261 H TYR 34 H TYR 34 2.055 -6.647 6.666 262 HA TYR 34 HA TYR 34 -0.149 -5.383 8.250 263 1HB TYR 34 2HB TYR 34 1.740 -5.860 9.742 264 2HB TYR 34 3HB TYR 34 2.846 -5.055 8.640 265 HD1 TYR 34 HD1 TYR 34 -0.304 -4.378 10.598 266 HD2 TYR 34 HD2 TYR 34 3.418 -2.816 9.079 267 HE1 TYR 34 HE1 TYR 34 -0.715 -2.231 11.776 268 HE2 TYR 34 HE2 TYR 34 3.042 -0.713 10.322 269 HH TYR 34 HH TYR 34 1.483 0.554 11.495 270 H CYS 35 H CYS 35 -0.595 -3.229 7.754 271 HA CYS 35 HA CYS 35 0.716 -2.061 5.332 272 1HB CYS 35 2HB CYS 35 -2.167 -1.788 6.263 273 2HB CYS 35 3HB CYS 35 -1.413 -0.899 4.908 274 HG CYS 35 HG CYS 35 -1.979 -4.038 5.364 275 H SER 36 H SER 36 0.966 0.229 5.484 276 HA SER 36 HA SER 36 0.211 1.611 8.012 277 1HB SER 36 2HB SER 36 2.427 0.651 8.437 278 2HB SER 36 3HB SER 36 2.984 1.259 6.866 279 HG SER 36 HG SER 36 2.637 3.376 7.652 280 H VAL 37 H VAL 37 -1.334 2.499 6.327 281 HA VAL 37 HA VAL 37 -0.249 4.175 4.223 282 HB VAL 37 HB VAL 37 -3.050 3.847 5.341 283 1HG1 VAL 37 1HG1 VAL 37 -1.996 4.852 2.659 284 2HG1 VAL 37 2HG1 VAL 37 -3.706 4.571 3.033 285 3HG1 VAL 37 3HG1 VAL 37 -2.806 5.824 3.905 286 1HG2 VAL 37 1HG2 VAL 37 -3.495 2.112 3.879 287 2HG2 VAL 37 2HG2 VAL 37 -2.057 2.387 2.884 288 3HG2 VAL 37 3HG2 VAL 37 -1.933 1.633 4.475 289 H ALA 38 H ALA 38 0.048 6.426 4.371 290 HA ALA 38 HA ALA 38 -1.229 7.892 6.602 291 1HB ALA 38 1HB ALA 38 1.735 8.091 5.988 292 2HB ALA 38 2HB ALA 38 0.784 9.139 7.071 293 3HB ALA 38 3HB ALA 38 1.005 7.412 7.470 294 H LEU 39 H LEU 39 -2.007 9.735 6.010 295 HA LEU 39 HA LEU 39 -2.206 10.314 3.205 296 1HB LEU 39 2HB LEU 39 -3.823 11.974 3.764 297 2HB LEU 39 3HB LEU 39 -4.096 10.473 4.632 298 HG LEU 39 HG LEU 39 -2.691 11.815 6.553 299 1HD1 LEU 39 1HD1 LEU 39 -2.584 13.917 5.073 300 2HD1 LEU 39 2HD1 LEU 39 -4.347 13.960 5.142 301 3HD1 LEU 39 3HD1 LEU 39 -3.401 14.147 6.627 302 1HD2 LEU 39 1HD2 LEU 39 -4.867 10.736 6.856 303 2HD2 LEU 39 2HD2 LEU 39 -4.887 12.370 7.539 304 3HD2 LEU 39 3HD2 LEU 39 -5.667 12.055 5.973 305 H ALA 40 H ALA 40 -0.759 12.208 5.900 306 HA ALA 40 HA ALA 40 0.099 14.378 4.317 307 1HB ALA 40 1HB ALA 40 1.675 14.832 6.163 308 2HB ALA 40 2HB ALA 40 0.065 14.412 6.780 309 3HB ALA 40 3HB ALA 40 1.379 13.213 6.832 310 H THR 41 H THR 41 1.787 11.283 5.130 311 HA THR 41 HA THR 41 4.178 11.923 3.731 312 HB THR 41 HB THR 41 3.133 9.147 4.303 313 HG1 THR 41 1HG THR 41 4.019 10.994 6.256 314 1HG2 THR 41 1HG2 THR 41 5.454 9.487 3.396 315 2HG2 THR 41 2HG2 THR 41 5.847 10.473 4.813 316 3HG2 THR 41 3HG2 THR 41 5.456 8.751 5.014 317 H ASN 42 H ASN 42 1.000 11.100 2.647 318 HA ASN 42 HA ASN 42 0.092 10.301 0.752 319 1HB ASN 42 2HB ASN 42 2.682 11.306 -0.540 320 2HB ASN 42 3HB ASN 42 1.225 10.778 -1.380 321 1HD2 ASN 42 1HD2 ASN 42 2.074 13.209 1.242 322 2HD2 ASN 42 2HD2 ASN 42 1.110 14.424 0.460 323 H LYS 43 H LYS 43 1.447 8.398 2.412 324 HA LYS 43 HA LYS 43 2.856 6.651 0.438 325 1HB LYS 43 2HB LYS 43 4.466 7.914 1.805 326 2HB LYS 43 3HB LYS 43 3.734 7.233 3.274 327 1HG LYS 43 2HG LYS 43 4.364 4.969 2.577 328 2HG LYS 43 3HG LYS 43 5.030 5.580 1.057 329 1HD LYS 43 2HD LYS 43 5.999 6.270 3.879 330 2HD LYS 43 3HD LYS 43 6.672 5.010 2.866 331 1HE LYS 43 2HE LYS 43 6.741 7.291 1.179 332 2HE LYS 43 3HE LYS 43 7.101 7.953 2.774 333 1HZ LYS 43 1HZ LYS 43 8.527 5.809 1.376 334 2HZ LYS 43 2HZ LYS 43 9.157 7.246 1.717 335 3HZ LYS 43 3HZ LYS 43 8.843 6.102 2.901 336 H ALA 44 H ALA 44 2.654 4.415 0.735 337 HA ALA 44 HA ALA 44 1.585 3.622 3.359 338 1HB ALA 44 1HB ALA 44 -0.274 3.239 1.749 339 2HB ALA 44 2HB ALA 44 0.782 2.187 0.800 340 3HB ALA 44 3HB ALA 44 0.357 1.733 2.460 341 H HIS 45 H HIS 45 3.056 2.453 4.405 342 HA HIS 45 HA HIS 45 5.085 1.008 2.781 343 1HB HIS 45 2HB HIS 45 6.462 0.904 4.442 344 2HB HIS 45 3HB HIS 45 5.575 2.263 5.112 345 HD1 HIS 45 1HD HIS 45 5.654 1.792 7.649 346 HD2 HIS 45 2HD HIS 45 4.971 -1.659 5.327 347 HE1 HIS 45 1HE HIS 45 5.451 -0.161 9.272 348 H ILE 46 H ILE 46 4.613 -1.000 2.213 349 HA ILE 46 HA ILE 46 2.536 -2.458 3.786 350 HB ILE 46 HB ILE 46 3.062 -2.257 0.865 351 1HG1 ILE 46 2HG1 ILE 46 0.545 -2.571 2.577 352 2HG1 ILE 46 3HG1 ILE 46 1.254 -1.031 2.079 353 1HG2 ILE 46 1HG2 ILE 46 3.443 -4.535 0.953 354 2HG2 ILE 46 2HG2 ILE 46 2.234 -4.809 2.206 355 3HG2 ILE 46 3HG2 ILE 46 1.730 -4.430 0.553 356 1HD1 ILE 46 1HD1 ILE 46 0.910 -1.726 -0.319 357 2HD1 ILE 46 2HD1 ILE 46 -0.059 -3.095 0.310 358 3HD1 ILE 46 3HD1 ILE 46 -0.558 -1.428 0.632 359 H LYS 47 H LYS 47 3.051 -4.232 4.595 360 HA LYS 47 HA LYS 47 5.897 -5.142 4.651 361 1HB LYS 47 2HB LYS 47 4.093 -4.068 6.670 362 2HB LYS 47 3HB LYS 47 4.452 -5.739 7.078 363 1HG LYS 47 2HG LYS 47 6.559 -3.633 6.447 364 2HG LYS 47 3HG LYS 47 5.909 -3.941 8.057 365 1HD LYS 47 2HD LYS 47 6.516 -6.431 7.740 366 2HD LYS 47 3HD LYS 47 7.434 -5.938 6.318 367 1HE LYS 47 2HE LYS 47 8.766 -4.380 7.851 368 2HE LYS 47 3HE LYS 47 7.855 -5.041 9.220 369 1HZ LYS 47 1HZ LYS 47 8.717 -7.252 8.603 370 2HZ LYS 47 2HZ LYS 47 9.504 -6.664 7.383 371 3HZ LYS 47 3HZ LYS 47 9.981 -6.211 8.910 372 H TYR 48 H TYR 48 5.811 -6.991 3.422 373 HA TYR 48 HA TYR 48 3.593 -8.915 3.557 374 1HB TYR 48 2HB TYR 48 3.018 -8.562 1.273 375 2HB TYR 48 3HB TYR 48 3.006 -6.961 2.001 376 HD1 TYR 48 HD1 TYR 48 5.612 -5.802 1.822 377 HD2 TYR 48 HD2 TYR 48 3.746 -8.567 -0.913 378 HE1 TYR 48 HE1 TYR 48 7.359 -5.348 0.171 379 HE2 TYR 48 HE2 TYR 48 5.342 -7.881 -2.661 380 HH TYR 48 HH TYR 48 8.089 -5.701 -1.985 381 H ASP 49 H ASP 49 4.141 -10.925 2.241 382 HA ASP 49 HA ASP 49 7.059 -11.321 2.077 383 1HB ASP 49 2HB ASP 49 5.839 -13.099 3.016 384 2HB ASP 49 3HB ASP 49 4.703 -13.115 1.670 385 HA PRO 50 HA PRO 50 6.604 -9.837 -2.130 386 1HB PRO 50 2HB PRO 50 9.211 -9.700 -2.902 387 2HB PRO 50 3HB PRO 50 8.568 -8.658 -1.599 388 1HG PRO 50 2HG PRO 50 10.024 -11.305 -1.271 389 2HG PRO 50 3HG PRO 50 10.415 -9.745 -0.487 390 1HD PRO 50 2HD PRO 50 8.896 -11.634 0.749 391 2HD PRO 50 3HD PRO 50 8.519 -9.887 0.924 392 H GLU 51 H GLU 51 7.300 -13.080 -1.359 393 HA GLU 51 HA GLU 51 7.939 -13.834 -4.173 394 1HB GLU 51 2HB GLU 51 8.012 -15.389 -1.567 395 2HB GLU 51 3HB GLU 51 8.498 -16.000 -3.144 396 1HG GLU 51 2HG GLU 51 10.548 -15.031 -3.012 397 2HG GLU 51 3HG GLU 51 9.905 -13.477 -2.483 398 H ILE 52 H ILE 52 5.756 -14.595 -1.415 399 HA ILE 52 HA ILE 52 4.217 -16.449 -2.988 400 HB ILE 52 HB ILE 52 2.671 -16.510 -1.110 401 1HG1 ILE 52 2HG1 ILE 52 4.090 -14.098 -0.107 402 2HG1 ILE 52 3HG1 ILE 52 2.367 -14.421 -0.267 403 1HG2 ILE 52 1HG2 ILE 52 4.237 -17.547 0.426 404 2HG2 ILE 52 2HG2 ILE 52 4.876 -17.768 -1.200 405 3HG2 ILE 52 3HG2 ILE 52 5.566 -16.518 -0.148 406 1HD1 ILE 52 1HD1 ILE 52 4.195 -15.681 1.809 407 2HD1 ILE 52 2HD1 ILE 52 2.900 -14.516 2.079 408 3HD1 ILE 52 3HD1 ILE 52 2.497 -16.148 1.523 409 H ILE 53 H ILE 53 3.406 -13.216 -1.857 410 HA ILE 53 HA ILE 53 1.050 -13.111 -3.665 411 HB ILE 53 HB ILE 53 0.521 -12.426 -1.508 412 1HG1 ILE 53 2HG1 ILE 53 0.941 -9.795 -2.974 413 2HG1 ILE 53 3HG1 ILE 53 -0.240 -11.011 -3.492 414 1HG2 ILE 53 1HG2 ILE 53 2.890 -10.525 -1.545 415 2HG2 ILE 53 2HG2 ILE 53 1.659 -10.539 -0.300 416 3HG2 ILE 53 3HG2 ILE 53 2.678 -11.948 -0.493 417 1HD1 ILE 53 1HD1 ILE 53 -1.366 -10.883 -1.317 418 2HD1 ILE 53 2HD1 ILE 53 -0.225 -9.633 -0.763 419 3HD1 ILE 53 3HD1 ILE 53 -1.293 -9.296 -2.118 420 H GLY 54 H GLY 54 4.036 -11.271 -3.024 421 1HA GLY 54 2HA GLY 54 5.382 -10.150 -4.466 422 2HA GLY 54 1HA GLY 54 4.404 -10.658 -5.851 423 HA PRO 55 HA PRO 55 3.640 -6.223 -4.190 424 1HB PRO 55 2HB PRO 55 5.161 -4.638 -5.832 425 2HB PRO 55 3HB PRO 55 5.758 -5.425 -4.344 426 1HG PRO 55 2HG PRO 55 6.058 -6.424 -7.179 427 2HG PRO 55 3HG PRO 55 7.333 -6.259 -5.934 428 1HD PRO 55 2HD PRO 55 6.102 -8.656 -6.361 429 2HD PRO 55 3HD PRO 55 6.504 -8.118 -4.708 430 H ARG 56 H ARG 56 3.611 -7.589 -7.450 431 HA ARG 56 HA ARG 56 2.229 -5.543 -8.824 432 1HB ARG 56 2HB ARG 56 2.313 -8.566 -9.186 433 2HB ARG 56 3HB ARG 56 1.270 -7.544 -10.164 434 1HG ARG 56 2HG ARG 56 3.256 -7.930 -11.395 435 2HG ARG 56 3HG ARG 56 3.144 -6.217 -10.971 436 1HD ARG 56 2HD ARG 56 4.814 -6.525 -9.195 437 2HD ARG 56 3HD ARG 56 4.865 -8.284 -9.538 438 HE ARG 56 HE ARG 56 5.393 -6.741 -11.902 439 1HH1 ARG 56 2HH2 ARG 56 6.925 -7.767 -8.900 440 2HH1 ARG 56 1HH2 ARG 56 8.555 -7.622 -9.480 441 1HH2 ARG 56 2HH1 ARG 56 7.543 -6.536 -12.724 442 2HH2 ARG 56 1HH1 ARG 56 8.906 -6.907 -11.722 443 H ASP 57 H ASP 57 0.908 -8.285 -6.928 444 HA ASP 57 HA ASP 57 -1.810 -7.908 -7.507 445 1HB ASP 57 2HB ASP 57 -0.790 -9.884 -6.350 446 2HB ASP 57 3HB ASP 57 -0.482 -8.894 -4.926 447 H ILE 58 H ILE 58 -0.003 -6.834 -4.677 448 HA ILE 58 HA ILE 58 -1.804 -5.081 -3.430 449 HB ILE 58 HB ILE 58 1.215 -5.248 -3.663 450 1HG1 ILE 58 2HG1 ILE 58 -0.378 -5.676 -1.142 451 2HG1 ILE 58 3HG1 ILE 58 -0.463 -6.916 -2.395 452 1HG2 ILE 58 1HG2 ILE 58 -0.352 -3.292 -1.962 453 2HG2 ILE 58 2HG2 ILE 58 1.361 -3.713 -1.701 454 3HG2 ILE 58 3HG2 ILE 58 0.869 -2.916 -3.192 455 1HD1 ILE 58 1HD1 ILE 58 2.151 -5.921 -1.216 456 2HD1 ILE 58 2HD1 ILE 58 1.290 -7.409 -0.755 457 3HD1 ILE 58 3HD1 ILE 58 1.925 -7.225 -2.401 458 H ILE 59 H ILE 59 0.698 -4.161 -5.844 459 HA ILE 59 HA ILE 59 -0.051 -1.432 -5.927 460 HB ILE 59 HB ILE 59 1.403 -3.304 -7.797 461 1HG1 ILE 59 2HG1 ILE 59 2.380 -0.852 -6.307 462 2HG1 ILE 59 3HG1 ILE 59 2.402 -2.486 -5.638 463 1HG2 ILE 59 1HG2 ILE 59 2.026 -1.440 -9.265 464 2HG2 ILE 59 2HG2 ILE 59 0.294 -1.721 -9.319 465 3HG2 ILE 59 3HG2 ILE 59 0.942 -0.364 -8.368 466 1HD1 ILE 59 1HD1 ILE 59 3.818 -3.227 -7.573 467 2HD1 ILE 59 2HD1 ILE 59 3.929 -1.525 -8.086 468 3HD1 ILE 59 3HD1 ILE 59 4.577 -2.019 -6.518 469 H HIS 60 H HIS 60 -1.158 -4.143 -8.002 470 HA HIS 60 HA HIS 60 -2.888 -2.602 -9.618 471 1HB HIS 60 2HB HIS 60 -2.051 -4.907 -10.044 472 2HB HIS 60 3HB HIS 60 -3.156 -5.516 -8.804 473 HD1 HIS 60 1HD HIS 60 -4.924 -2.881 -10.862 474 HD2 HIS 60 2HD HIS 60 -3.775 -6.932 -11.204 475 HE1 HIS 60 1HE HIS 60 -6.343 -3.884 -12.692 476 H THR 61 H THR 61 -3.453 -4.246 -6.448 477 HA THR 61 HA THR 61 -6.230 -3.618 -6.301 478 HB THR 61 HB THR 61 -4.187 -3.985 -4.072 479 HG1 THR 61 1HG THR 61 -5.490 -5.947 -3.964 480 1HG2 THR 61 1HG2 THR 61 -7.230 -3.774 -3.940 481 2HG2 THR 61 2HG2 THR 61 -6.179 -4.326 -2.618 482 3HG2 THR 61 3HG2 THR 61 -6.070 -2.656 -3.187 483 H ILE 62 H ILE 62 -3.384 -1.723 -5.013 484 HA ILE 62 HA ILE 62 -5.109 0.296 -4.025 485 HB ILE 62 HB ILE 62 -2.226 0.648 -4.829 486 1HG1 ILE 62 2HG1 ILE 62 -3.141 0.105 -1.997 487 2HG1 ILE 62 3HG1 ILE 62 -2.863 -1.268 -3.066 488 1HG2 ILE 62 1HG2 ILE 62 -2.417 2.413 -2.950 489 2HG2 ILE 62 2HG2 ILE 62 -3.288 2.792 -4.432 490 3HG2 ILE 62 3HG2 ILE 62 -4.153 2.165 -3.010 491 1HD1 ILE 62 1HD1 ILE 62 -0.818 -0.701 -1.856 492 2HD1 ILE 62 2HD1 ILE 62 -0.639 -0.479 -3.617 493 3HD1 ILE 62 3HD1 ILE 62 -0.860 0.933 -2.563 494 H GLU 63 H GLU 63 -3.398 0.044 -7.175 495 HA GLU 63 HA GLU 63 -4.105 2.426 -8.434 496 1HB GLU 63 2HB GLU 63 -2.641 0.760 -9.323 497 2HB GLU 63 3HB GLU 63 -3.847 -0.498 -9.267 498 1HG GLU 63 2HG GLU 63 -4.309 1.920 -10.989 499 2HG GLU 63 3HG GLU 63 -3.237 0.597 -11.503 500 H SER 64 H SER 64 -5.887 -0.663 -8.384 501 HA SER 64 HA SER 64 -8.287 0.351 -9.455 502 1HB SER 64 2HB SER 64 -7.710 -2.010 -9.382 503 2HB SER 64 3HB SER 64 -7.976 -2.043 -7.626 504 HG SER 64 HG SER 64 -10.154 -1.021 -8.447 505 H LEU 65 H LEU 65 -7.201 0.430 -6.062 506 HA LEU 65 HA LEU 65 -9.802 1.225 -5.013 507 1HB LEU 65 2HB LEU 65 -7.037 1.483 -3.812 508 2HB LEU 65 3HB LEU 65 -8.530 1.901 -2.984 509 HG LEU 65 HG LEU 65 -7.887 -0.901 -3.997 510 1HD1 LEU 65 1HD1 LEU 65 -7.875 0.251 -1.199 511 2HD1 LEU 65 2HD1 LEU 65 -7.513 -1.430 -1.644 512 3HD1 LEU 65 3HD1 LEU 65 -6.415 -0.128 -2.132 513 1HD2 LEU 65 1HD2 LEU 65 -10.169 0.122 -2.265 514 2HD2 LEU 65 2HD2 LEU 65 -10.309 -0.599 -3.890 515 3HD2 LEU 65 3HD2 LEU 65 -9.767 -1.581 -2.534 516 H GLY 66 H GLY 66 -6.947 2.975 -6.205 517 1HA GLY 66 2HA GLY 66 -7.638 4.681 -7.790 518 2HA GLY 66 1HA GLY 66 -8.861 5.264 -6.664 519 H PHE 67 H PHE 67 -5.353 4.523 -6.469 520 HA PHE 67 HA PHE 67 -4.691 7.330 -5.891 521 1HB PHE 67 2HB PHE 67 -3.692 5.038 -4.145 522 2HB PHE 67 3HB PHE 67 -3.386 6.758 -3.939 523 HD1 PHE 67 1HD PHE 67 -5.542 8.237 -3.693 524 HD2 PHE 67 2HD PHE 67 -5.597 4.012 -3.064 525 HE1 PHE 67 1HE PHE 67 -7.523 8.515 -2.233 526 HE2 PHE 67 2HE PHE 67 -7.604 4.249 -1.629 527 HZ PHE 67 HZ PHE 67 -8.559 6.505 -1.193 528 H GLU 68 H GLU 68 -2.135 7.470 -6.104 529 HA GLU 68 HA GLU 68 -1.391 5.587 -8.263 530 1HB GLU 68 2HB GLU 68 0.401 7.154 -8.799 531 2HB GLU 68 3HB GLU 68 -1.220 7.812 -8.988 532 1HG GLU 68 2HG GLU 68 -0.900 9.433 -7.432 533 2HG GLU 68 3HG GLU 68 -0.014 8.365 -6.341 534 HA PRO 69 HA PRO 69 1.244 3.604 -5.077 535 1HB PRO 69 2HB PRO 69 1.239 1.095 -6.071 536 2HB PRO 69 3HB PRO 69 -0.039 1.766 -5.026 537 1HG PRO 69 2HG PRO 69 -0.029 1.630 -8.051 538 2HG PRO 69 3HG PRO 69 -1.299 1.067 -6.919 539 1HD PRO 69 2HD PRO 69 -1.471 3.451 -8.121 540 2HD PRO 69 3HD PRO 69 -1.894 3.286 -6.382 541 H SER 70 H SER 70 2.719 5.194 -6.115 542 HA SER 70 HA SER 70 4.421 4.180 -8.303 543 1HB SER 70 2HB SER 70 5.488 6.482 -7.907 544 2HB SER 70 3HB SER 70 3.820 6.447 -8.511 545 HG SER 70 HG SER 70 3.274 7.548 -6.875 546 H LEU 71 H LEU 71 6.326 3.165 -7.918 547 HA LEU 71 HA LEU 71 7.300 2.761 -5.203 548 1HB LEU 71 2HB LEU 71 9.262 1.761 -6.260 549 2HB LEU 71 3HB LEU 71 7.745 0.981 -6.690 550 HG LEU 71 HG LEU 71 8.606 3.108 -8.574 551 1HD1 LEU 71 1HD1 LEU 71 10.332 1.717 -9.660 552 2HD1 LEU 71 2HD1 LEU 71 10.809 2.194 -8.021 553 3HD1 LEU 71 3HD1 LEU 71 10.223 0.542 -8.329 554 1HD2 LEU 71 1HD2 LEU 71 7.810 0.194 -9.010 555 2HD2 LEU 71 2HD2 LEU 71 6.674 1.554 -9.017 556 3HD2 LEU 71 3HD2 LEU 71 7.935 1.452 -10.254 557 H VAL 72 H VAL 72 8.411 4.182 -4.120 558 HA VAL 72 HA VAL 72 10.052 6.304 -5.420 559 HB VAL 72 HB VAL 72 7.696 6.804 -3.544 560 1HG1 VAL 72 1HG1 VAL 72 9.519 8.220 -2.788 561 2HG1 VAL 72 2HG1 VAL 72 9.904 8.696 -4.458 562 3HG1 VAL 72 3HG1 VAL 72 8.387 9.215 -3.701 563 1HG2 VAL 72 1HG2 VAL 72 7.008 6.684 -5.892 564 2HG2 VAL 72 2HG2 VAL 72 6.983 8.366 -5.366 565 3HG2 VAL 72 3HG2 VAL 72 8.325 7.778 -6.367 566 H LYS 73 H LYS 73 8.797 5.217 -2.235 567 HA LYS 73 HA LYS 73 9.743 4.895 -0.268 568 1HB LYS 73 2HB LYS 73 11.169 3.271 -1.536 569 2HB LYS 73 3HB LYS 73 12.447 4.494 -1.618 570 1HG LYS 73 2HG LYS 73 12.431 4.623 0.897 571 2HG LYS 73 3HG LYS 73 11.181 3.381 0.911 572 1HD LYS 73 2HD LYS 73 12.805 1.877 -0.369 573 2HD LYS 73 3HD LYS 73 14.050 3.100 -0.013 574 1HE LYS 73 2HE LYS 73 13.378 2.875 2.466 575 2HE LYS 73 3HE LYS 73 12.332 1.531 1.989 576 1HZ LYS 73 1HZ LYS 73 15.251 1.601 1.659 577 2HZ LYS 73 2HZ LYS 73 14.410 0.765 2.799 578 3HZ LYS 73 3HZ LYS 73 14.260 0.357 1.213 579 H ILE 74 H ILE 74 12.333 6.708 -1.980 580 HA ILE 74 HA ILE 74 12.646 8.492 0.362 581 HB ILE 74 HB ILE 74 14.124 8.462 -2.294 582 1HG1 ILE 74 2HG1 ILE 74 14.514 6.309 -1.285 583 2HG1 ILE 74 3HG1 ILE 74 15.952 7.308 -1.131 584 1HG2 ILE 74 1HG2 ILE 74 14.338 10.591 -1.152 585 2HG2 ILE 74 2HG2 ILE 74 14.748 9.794 0.376 586 3HG2 ILE 74 3HG2 ILE 74 15.861 9.706 -1.006 587 1HD1 ILE 74 1HD1 ILE 74 13.946 6.734 1.099 588 2HD1 ILE 74 2HD1 ILE 74 15.559 6.033 0.912 589 3HD1 ILE 74 3HD1 ILE 74 15.391 7.760 1.255 590 H GLU 75 H GLU 75 11.355 10.290 0.529 591 HA GLU 75 HA GLU 75 10.823 11.983 -1.717 592 1HB GLU 75 2HB GLU 75 8.854 10.253 -1.529 593 2HB GLU 75 3HB GLU 75 8.519 11.008 0.033 594 1HG GLU 75 2HG GLU 75 8.177 13.182 -1.113 595 2HG GLU 75 3HG GLU 75 8.570 12.430 -2.670 Start of MODEL 11 1 1H MET 1 H1 MET 1 10.441 -14.170 3.291 2 2H MET 1 H2 MET 1 9.602 -15.578 3.066 3 3H MET 1 H3 MET 1 8.847 -14.209 3.553 4 HA MET 1 HA MET 1 8.997 -15.344 5.536 5 1HB MET 1 2HB MET 1 11.764 -16.039 4.548 6 2HB MET 1 3HB MET 1 11.586 -15.738 6.272 7 1HG MET 1 2HG MET 1 9.776 -17.396 6.430 8 2HG MET 1 3HG MET 1 10.050 -17.835 4.733 9 1HE MET 1 1HE MET 1 10.096 -19.828 7.324 10 2HE MET 1 2HE MET 1 10.282 -20.369 5.635 11 3HE MET 1 3HE MET 1 11.469 -20.861 6.866 12 H GLY 2 H GLY 2 9.859 -14.398 7.607 13 1HA GLY 2 2HA GLY 2 10.308 -12.569 8.909 14 2HA GLY 2 1HA GLY 2 11.391 -11.959 7.644 15 H ASP 3 H ASP 3 10.655 -10.309 6.349 16 HA ASP 3 HA ASP 3 8.044 -10.183 5.375 17 1HB ASP 3 2HB ASP 3 7.370 -7.954 6.158 18 2HB ASP 3 3HB ASP 3 7.429 -9.104 7.492 19 H GLY 4 H GLY 4 7.939 -8.520 3.664 20 1HA GLY 4 2HA GLY 4 10.559 -7.302 2.923 21 2HA GLY 4 1HA GLY 4 9.342 -7.866 1.765 22 H VAL 5 H VAL 5 10.424 -5.117 2.409 23 HA VAL 5 HA VAL 5 7.843 -3.717 2.916 24 HB VAL 5 HB VAL 5 10.603 -2.860 3.888 25 1HG1 VAL 5 1HG1 VAL 5 9.286 -1.143 5.124 26 2HG1 VAL 5 2HG1 VAL 5 9.081 -0.968 3.376 27 3HG1 VAL 5 3HG1 VAL 5 7.802 -1.729 4.347 28 1HG2 VAL 5 1HG2 VAL 5 9.660 -3.289 6.162 29 2HG2 VAL 5 2HG2 VAL 5 8.235 -4.033 5.398 30 3HG2 VAL 5 3HG2 VAL 5 9.843 -4.771 5.221 31 H LEU 6 H LEU 6 7.290 -2.698 1.110 32 HA LEU 6 HA LEU 6 9.359 -1.389 -0.587 33 1HB LEU 6 2HB LEU 6 8.843 -3.644 -1.469 34 2HB LEU 6 3HB LEU 6 7.146 -3.206 -1.613 35 HG LEU 6 HG LEU 6 9.334 -1.621 -3.019 36 1HD1 LEU 6 1HD1 LEU 6 8.922 -3.044 -5.010 37 2HD1 LEU 6 2HD1 LEU 6 9.631 -3.952 -3.666 38 3HD1 LEU 6 3HD1 LEU 6 7.900 -4.108 -4.020 39 1HD2 LEU 6 1HD2 LEU 6 6.350 -1.995 -3.542 40 2HD2 LEU 6 2HD2 LEU 6 7.174 -0.487 -3.084 41 3HD2 LEU 6 3HD2 LEU 6 7.466 -1.197 -4.666 42 H GLU 7 H GLU 7 8.738 0.636 0.126 43 HA GLU 7 HA GLU 7 5.937 1.222 0.506 44 1HB GLU 7 2HB GLU 7 8.233 3.190 0.582 45 2HB GLU 7 3HB GLU 7 6.623 3.319 1.324 46 1HG GLU 7 2HG GLU 7 7.219 1.308 2.751 47 2HG GLU 7 3HG GLU 7 8.880 1.439 2.135 48 H LEU 8 H LEU 8 4.611 2.413 -0.772 49 HA LEU 8 HA LEU 8 5.707 3.666 -3.227 50 1HB LEU 8 2HB LEU 8 3.699 2.980 -4.472 51 2HB LEU 8 3HB LEU 8 4.764 1.639 -4.100 52 HG LEU 8 HG LEU 8 2.318 2.229 -2.398 53 1HD1 LEU 8 1HD1 LEU 8 2.486 0.468 -4.867 54 2HD1 LEU 8 2HD1 LEU 8 1.066 0.691 -3.820 55 3HD1 LEU 8 3HD1 LEU 8 1.672 2.042 -4.787 56 1HD2 LEU 8 1HD2 LEU 8 4.046 -0.244 -2.944 57 2HD2 LEU 8 2HD2 LEU 8 3.768 0.546 -1.376 58 3HD2 LEU 8 3HD2 LEU 8 2.452 -0.315 -2.186 59 H VAL 9 H VAL 9 4.824 5.591 -3.778 60 HA VAL 9 HA VAL 9 3.160 6.884 -1.712 61 HB VAL 9 HB VAL 9 4.841 7.961 -3.964 62 1HG1 VAL 9 1HG1 VAL 9 2.732 9.159 -4.264 63 2HG1 VAL 9 2HG1 VAL 9 2.603 9.400 -2.503 64 3HG1 VAL 9 3HG1 VAL 9 3.882 10.211 -3.423 65 1HG2 VAL 9 1HG2 VAL 9 5.742 7.679 -1.592 66 2HG2 VAL 9 2HG2 VAL 9 5.687 9.378 -2.115 67 3HG2 VAL 9 3HG2 VAL 9 4.439 8.758 -1.029 68 H VAL 10 H VAL 10 1.069 6.730 -1.959 69 HA VAL 10 HA VAL 10 -0.150 6.111 -4.598 70 HB VAL 10 HB VAL 10 -1.881 4.967 -3.490 71 1HG1 VAL 10 1HG1 VAL 10 0.754 4.124 -2.193 72 2HG1 VAL 10 2HG1 VAL 10 -0.625 3.085 -2.529 73 3HG1 VAL 10 3HG1 VAL 10 0.307 3.756 -3.869 74 1HG2 VAL 10 1HG2 VAL 10 -0.611 5.856 -0.896 75 2HG2 VAL 10 2HG2 VAL 10 -2.308 6.058 -1.458 76 3HG2 VAL 10 3HG2 VAL 10 -1.708 4.466 -1.011 77 H ARG 11 H ARG 11 -0.103 8.262 -5.278 78 HA ARG 11 HA ARG 11 -0.717 10.340 -3.421 79 1HB ARG 11 2HB ARG 11 0.703 10.471 -5.503 80 2HB ARG 11 3HB ARG 11 -0.775 10.733 -6.417 81 1HG ARG 11 2HG ARG 11 -0.049 12.447 -3.995 82 2HG ARG 11 3HG ARG 11 0.675 12.735 -5.573 83 1HD ARG 11 2HD ARG 11 -2.314 12.825 -4.998 84 2HD ARG 11 3HD ARG 11 -1.281 14.220 -5.188 85 HE ARG 11 HE ARG 11 -2.372 12.418 -7.244 86 1HH1 ARG 11 2HH2 ARG 11 0.055 14.896 -6.637 87 2HH1 ARG 11 1HH2 ARG 11 0.365 15.216 -8.320 88 1HH2 ARG 11 2HH1 ARG 11 -1.781 12.601 -9.424 89 2HH2 ARG 11 1HH1 ARG 11 -0.796 13.923 -9.968 90 H GLY 12 H GLY 12 -2.601 11.374 -2.898 91 1HA GLY 12 2HA GLY 12 -4.743 12.220 -3.798 92 2HA GLY 12 1HA GLY 12 -5.117 10.603 -4.386 93 H MET 13 H MET 13 -3.630 10.086 -1.412 94 HA MET 13 HA MET 13 -6.130 9.576 -0.064 95 1HB MET 13 2HB MET 13 -3.294 9.714 0.990 96 2HB MET 13 3HB MET 13 -4.700 9.133 1.900 97 1HG MET 13 2HG MET 13 -5.068 7.420 0.073 98 2HG MET 13 3HG MET 13 -3.523 7.904 -0.620 99 1HE MET 13 1HE MET 13 -0.966 6.751 2.063 100 2HE MET 13 2HE MET 13 -1.269 7.573 0.512 101 3HE MET 13 3HE MET 13 -1.715 8.357 2.048 102 H THR 14 H THR 14 -7.092 11.669 -0.418 103 HA THR 14 HA THR 14 -6.211 14.096 0.357 104 HB THR 14 HB THR 14 -8.208 13.753 -0.922 105 HG1 THR 14 1HG THR 14 -9.382 15.450 -0.029 106 1HG2 THR 14 1HG2 THR 14 -9.719 13.098 1.645 107 2HG2 THR 14 2HG2 THR 14 -10.375 13.235 0.011 108 3HG2 THR 14 3HG2 THR 14 -9.276 11.907 0.398 109 H CYS 15 H CYS 15 -8.021 11.976 2.648 110 HA CYS 15 HA CYS 15 -6.440 12.723 4.840 111 1HB CYS 15 2HB CYS 15 -8.684 14.604 4.371 112 2HB CYS 15 3HB CYS 15 -8.704 13.912 5.997 113 HG CYS 15 HG CYS 15 -6.154 15.380 4.591 114 H ALA 16 H ALA 16 -9.894 12.468 5.542 115 HA ALA 16 HA ALA 16 -9.309 10.022 6.966 116 1HB ALA 16 1HB ALA 16 -11.661 10.101 7.634 117 2HB ALA 16 2HB ALA 16 -10.896 11.690 7.864 118 3HB ALA 16 3HB ALA 16 -11.975 11.405 6.471 119 H SER 17 H SER 17 -10.881 8.203 6.801 120 HA SER 17 HA SER 17 -11.688 6.404 5.785 121 1HB SER 17 2HB SER 17 -12.248 8.096 3.318 122 2HB SER 17 3HB SER 17 -12.973 6.545 3.775 123 HG SER 17 HG SER 17 -14.273 8.373 4.379 124 H CYS 18 H CYS 18 -9.895 8.205 3.272 125 HA CYS 18 HA CYS 18 -8.907 6.281 1.646 126 1HB CYS 18 2HB CYS 18 -7.372 8.695 2.747 127 2HB CYS 18 3HB CYS 18 -6.937 7.748 1.312 128 HG CYS 18 HG CYS 18 -9.677 9.488 1.892 129 H VAL 19 H VAL 19 -7.341 7.318 4.678 130 HA VAL 19 HA VAL 19 -5.185 5.624 4.807 131 HB VAL 19 HB VAL 19 -7.038 6.596 7.011 132 1HG1 VAL 19 1HG1 VAL 19 -4.248 5.392 7.276 133 2HG1 VAL 19 2HG1 VAL 19 -5.152 6.202 8.564 134 3HG1 VAL 19 3HG1 VAL 19 -5.751 4.683 7.898 135 1HG2 VAL 19 1HG2 VAL 19 -4.339 7.598 5.997 136 2HG2 VAL 19 2HG2 VAL 19 -5.901 8.387 5.707 137 3HG2 VAL 19 3HG2 VAL 19 -5.262 8.281 7.350 138 H HIS 20 H HIS 20 -8.348 4.871 6.414 139 HA HIS 20 HA HIS 20 -7.574 2.167 6.863 140 1HB HIS 20 2HB HIS 20 -9.162 2.147 8.314 141 2HB HIS 20 3HB HIS 20 -9.422 3.846 7.982 142 HD1 HIS 20 1HD HIS 20 -11.561 1.407 8.848 143 HD2 HIS 20 2HD HIS 20 -11.144 3.519 5.250 144 HE1 HIS 20 1HE HIS 20 -13.833 1.351 7.699 145 H LYS 21 H LYS 21 -9.043 3.780 4.163 146 HA LYS 21 HA LYS 21 -10.478 1.691 2.950 147 1HB LYS 21 2HB LYS 21 -10.122 4.264 2.393 148 2HB LYS 21 3HB LYS 21 -8.903 3.679 1.277 149 1HG LYS 21 2HG LYS 21 -11.829 2.805 1.303 150 2HG LYS 21 3HG LYS 21 -11.197 4.191 0.412 151 1HD LYS 21 2HD LYS 21 -9.563 2.534 -0.742 152 2HD LYS 21 3HD LYS 21 -10.539 1.258 -0.016 153 1HE LYS 21 2HE LYS 21 -11.430 1.553 -2.218 154 2HE LYS 21 3HE LYS 21 -12.590 2.294 -1.117 155 1HZ LYS 21 1HZ LYS 21 -11.497 4.458 -1.721 156 2HZ LYS 21 2HZ LYS 21 -10.648 3.670 -2.896 157 3HZ LYS 21 3HZ LYS 21 -12.260 3.703 -2.959 158 H ILE 22 H ILE 22 -7.078 2.716 2.663 159 HA ILE 22 HA ILE 22 -6.429 0.590 0.760 160 HB ILE 22 HB ILE 22 -4.702 2.637 2.181 161 1HG1 ILE 22 2HG1 ILE 22 -6.054 2.542 -0.540 162 2HG1 ILE 22 3HG1 ILE 22 -6.290 3.690 0.789 163 1HG2 ILE 22 1HG2 ILE 22 -3.058 2.006 0.287 164 2HG2 ILE 22 2HG2 ILE 22 -3.245 0.894 1.635 165 3HG2 ILE 22 3HG2 ILE 22 -4.053 0.553 0.089 166 1HD1 ILE 22 1HD1 ILE 22 -5.023 4.957 -0.611 167 2HD1 ILE 22 2HD1 ILE 22 -3.791 4.251 0.436 168 3HD1 ILE 22 3HD1 ILE 22 -4.047 3.585 -1.182 169 H GLU 23 H GLU 23 -5.362 1.391 4.094 170 HA GLU 23 HA GLU 23 -4.102 -0.876 4.952 171 1HB GLU 23 2HB GLU 23 -5.810 1.244 6.080 172 2HB GLU 23 3HB GLU 23 -5.844 -0.158 7.082 173 1HG GLU 23 2HG GLU 23 -3.463 -0.019 7.458 174 2HG GLU 23 3HG GLU 23 -3.211 0.962 6.006 175 H SER 24 H SER 24 -7.665 -0.488 5.247 176 HA SER 24 HA SER 24 -8.043 -3.164 6.161 177 1HB SER 24 2HB SER 24 -9.628 -1.233 6.517 178 2HB SER 24 3HB SER 24 -10.152 -1.424 4.831 179 HG SER 24 HG SER 24 -10.520 -3.728 5.524 180 H SER 25 H SER 25 -8.197 -1.685 2.895 181 HA SER 25 HA SER 25 -9.140 -4.054 1.576 182 1HB SER 25 2HB SER 25 -9.253 -1.817 0.660 183 2HB SER 25 3HB SER 25 -7.498 -1.730 0.513 184 HG SER 25 HG SER 25 -7.585 -3.424 -0.982 185 H LEU 26 H LEU 26 -5.986 -3.069 2.756 186 HA LEU 26 HA LEU 26 -4.583 -5.081 1.192 187 1HB LEU 26 2HB LEU 26 -3.788 -2.837 2.913 188 2HB LEU 26 3HB LEU 26 -2.658 -4.184 2.815 189 HG LEU 26 HG LEU 26 -3.952 -3.061 0.327 190 1HD1 LEU 26 1HD1 LEU 26 -2.006 -1.635 -0.028 191 2HD1 LEU 26 2HD1 LEU 26 -2.799 -1.241 1.512 192 3HD1 LEU 26 3HD1 LEU 26 -1.297 -2.194 1.502 193 1HD2 LEU 26 1HD2 LEU 26 -2.747 -5.284 0.100 194 2HD2 LEU 26 2HD2 LEU 26 -1.983 -3.983 -0.811 195 3HD2 LEU 26 3HD2 LEU 26 -1.285 -4.512 0.732 196 H THR 27 H THR 27 -5.466 -4.663 4.677 197 HA THR 27 HA THR 27 -4.145 -7.091 5.477 198 HB THR 27 HB THR 27 -5.528 -6.624 7.605 199 HG1 THR 27 1HG THR 27 -6.480 -4.564 7.618 200 1HG2 THR 27 1HG2 THR 27 -3.726 -4.421 6.498 201 2HG2 THR 27 2HG2 THR 27 -4.152 -4.653 8.204 202 3HG2 THR 27 3HG2 THR 27 -3.187 -5.880 7.368 203 H LYS 28 H LYS 28 -5.161 -8.200 3.621 204 HA LYS 28 HA LYS 28 -7.372 -9.913 4.252 205 1HB LYS 28 2HB LYS 28 -9.173 -8.979 3.147 206 2HB LYS 28 3HB LYS 28 -8.382 -7.559 3.831 207 1HG LYS 28 2HG LYS 28 -8.708 -6.723 1.819 208 2HG LYS 28 3HG LYS 28 -7.147 -7.503 1.515 209 1HD LYS 28 2HD LYS 28 -8.841 -9.555 0.831 210 2HD LYS 28 3HD LYS 28 -9.941 -8.207 0.566 211 1HE LYS 28 2HE LYS 28 -7.242 -8.749 -0.727 212 2HE LYS 28 3HE LYS 28 -8.802 -8.769 -1.539 213 1HZ LYS 28 1HZ LYS 28 -7.257 -6.729 -1.740 214 2HZ LYS 28 2HZ LYS 28 -8.881 -6.436 -1.502 215 3HZ LYS 28 3HZ LYS 28 -7.777 -6.311 -0.286 216 H HIS 29 H HIS 29 -5.064 -8.675 1.781 217 HA HIS 29 HA HIS 29 -5.566 -10.801 -0.105 218 1HB HIS 29 2HB HIS 29 -3.088 -9.109 0.359 219 2HB HIS 29 3HB HIS 29 -3.375 -10.179 -1.037 220 HD1 HIS 29 1HD HIS 29 -3.923 -8.857 -3.147 221 HD2 HIS 29 2HD HIS 29 -5.090 -7.001 0.451 222 HE1 HIS 29 1HE HIS 29 -5.034 -6.687 -3.767 223 H ARG 30 H ARG 30 -2.314 -11.122 0.340 224 HA ARG 30 HA ARG 30 -2.084 -13.074 2.449 225 1HB ARG 30 2HB ARG 30 -2.224 -13.817 -0.473 226 2HB ARG 30 3HB ARG 30 -0.732 -14.313 0.300 227 1HG ARG 30 2HG ARG 30 -2.478 -16.087 0.251 228 2HG ARG 30 3HG ARG 30 -1.865 -15.728 1.883 229 1HD ARG 30 2HD ARG 30 -3.735 -14.408 2.424 230 2HD ARG 30 3HD ARG 30 -4.312 -14.384 0.705 231 HE ARG 30 HE ARG 30 -4.400 -17.025 1.698 232 1HH1 ARG 30 2HH2 ARG 30 -5.751 -13.774 2.251 233 2HH1 ARG 30 1HH2 ARG 30 -7.296 -14.326 2.805 234 1HH2 ARG 30 2HH1 ARG 30 -6.466 -17.802 2.524 235 2HH2 ARG 30 1HH1 ARG 30 -7.700 -16.683 3.005 236 H GLY 31 H GLY 31 0.305 -13.466 2.709 237 1HA GLY 31 2HA GLY 31 2.479 -12.746 2.711 238 2HA GLY 31 1HA GLY 31 2.171 -11.758 1.270 239 H ILE 32 H ILE 32 0.455 -9.873 1.947 240 HA ILE 32 HA ILE 32 1.723 -8.106 3.757 241 HB ILE 32 HB ILE 32 0.456 -7.152 2.130 242 1HG1 ILE 32 2HG1 ILE 32 0.370 -5.759 4.065 243 2HG1 ILE 32 3HG1 ILE 32 -1.159 -5.699 3.193 244 1HG2 ILE 32 1HG2 ILE 32 -1.941 -7.292 1.859 245 2HG2 ILE 32 2HG2 ILE 32 -1.079 -8.774 1.477 246 3HG2 ILE 32 3HG2 ILE 32 -1.992 -8.664 3.003 247 1HD1 ILE 32 1HD1 ILE 32 -0.625 -6.879 5.889 248 2HD1 ILE 32 2HD1 ILE 32 -1.827 -5.699 5.379 249 3HD1 ILE 32 3HD1 ILE 32 -2.021 -7.404 4.918 250 H LEU 33 H LEU 33 2.100 -8.451 5.768 251 HA LEU 33 HA LEU 33 0.068 -9.757 7.521 252 1HB LEU 33 2HB LEU 33 1.859 -10.416 8.968 253 2HB LEU 33 3HB LEU 33 2.103 -10.980 7.320 254 HG LEU 33 HG LEU 33 3.672 -8.839 7.107 255 1HD1 LEU 33 1HD1 LEU 33 3.190 -7.908 9.388 256 2HD1 LEU 33 2HD1 LEU 33 3.773 -9.420 10.104 257 3HD1 LEU 33 3HD1 LEU 33 4.882 -8.372 9.201 258 1HD2 LEU 33 1HD2 LEU 33 5.554 -10.280 7.861 259 2HD2 LEU 33 2HD2 LEU 33 4.385 -11.401 8.579 260 3HD2 LEU 33 3HD2 LEU 33 4.408 -11.133 6.821 261 H TYR 34 H TYR 34 1.800 -6.752 6.897 262 HA TYR 34 HA TYR 34 -0.090 -5.514 8.727 263 1HB TYR 34 2HB TYR 34 1.816 -5.816 10.233 264 2HB TYR 34 3HB TYR 34 2.907 -5.065 9.098 265 HD1 TYR 34 HD1 TYR 34 3.098 -2.655 8.928 266 HD2 TYR 34 HD2 TYR 34 -0.070 -4.435 11.250 267 HE1 TYR 34 HE1 TYR 34 2.469 -0.419 9.794 268 HE2 TYR 34 HE2 TYR 34 -0.711 -2.197 12.088 269 HH TYR 34 HH TYR 34 -0.300 0.068 11.991 270 H CYS 35 H CYS 35 -0.262 -3.156 8.281 271 HA CYS 35 HA CYS 35 0.986 -2.149 5.864 272 1HB CYS 35 2HB CYS 35 -0.917 -3.484 4.930 273 2HB CYS 35 3HB CYS 35 -2.039 -2.616 5.998 274 HG CYS 35 HG CYS 35 -2.088 -1.918 3.466 275 H SER 36 H SER 36 0.896 0.142 5.887 276 HA SER 36 HA SER 36 -1.106 1.462 7.563 277 1HB SER 36 2HB SER 36 0.586 2.907 8.672 278 2HB SER 36 3HB SER 36 0.670 1.223 9.204 279 HG SER 36 HG SER 36 2.214 2.046 7.008 280 H VAL 37 H VAL 37 -1.819 3.261 6.388 281 HA VAL 37 HA VAL 37 0.067 4.389 4.371 282 HB VAL 37 HB VAL 37 -2.225 5.455 3.615 283 1HG1 VAL 37 1HG1 VAL 37 -2.409 3.555 1.971 284 2HG1 VAL 37 2HG1 VAL 37 -0.803 4.264 2.116 285 3HG1 VAL 37 3HG1 VAL 37 -1.171 2.694 2.895 286 1HG2 VAL 37 1HG2 VAL 37 -3.528 4.218 5.386 287 2HG2 VAL 37 2HG2 VAL 37 -4.068 4.028 3.710 288 3HG2 VAL 37 3HG2 VAL 37 -3.173 2.716 4.499 289 H ALA 38 H ALA 38 0.870 6.337 4.719 290 HA ALA 38 HA ALA 38 -0.388 8.137 6.771 291 1HB ALA 38 1HB ALA 38 2.372 8.166 5.604 292 2HB ALA 38 2HB ALA 38 1.620 9.391 6.684 293 3HB ALA 38 3HB ALA 38 1.896 7.726 7.262 294 H LEU 39 H LEU 39 -1.382 9.823 6.201 295 HA LEU 39 HA LEU 39 -2.242 9.994 3.481 296 1HB LEU 39 2HB LEU 39 -3.881 11.574 4.204 297 2HB LEU 39 3HB LEU 39 -3.775 10.184 5.270 298 HG LEU 39 HG LEU 39 -2.150 11.903 6.649 299 1HD1 LEU 39 1HD1 LEU 39 -3.188 14.135 6.655 300 2HD1 LEU 39 2HD1 LEU 39 -2.612 13.806 5.016 301 3HD1 LEU 39 3HD1 LEU 39 -4.324 13.642 5.388 302 1HD2 LEU 39 1HD2 LEU 39 -4.033 10.648 7.575 303 2HD2 LEU 39 2HD2 LEU 39 -4.121 12.347 8.069 304 3HD2 LEU 39 3HD2 LEU 39 -5.186 11.743 6.782 305 H ALA 40 H ALA 40 -0.464 12.396 5.512 306 HA ALA 40 HA ALA 40 -0.467 14.403 3.512 307 1HB ALA 40 1HB ALA 40 1.493 13.951 5.811 308 2HB ALA 40 2HB ALA 40 1.300 15.453 4.885 309 3HB ALA 40 3HB ALA 40 -0.033 14.860 5.893 310 H THR 41 H THR 41 1.885 11.868 4.341 311 HA THR 41 HA THR 41 3.722 12.704 2.188 312 HB THR 41 HB THR 41 4.620 12.000 4.278 313 HG1 THR 41 1HG THR 41 6.107 10.563 3.496 314 1HG2 THR 41 1HG2 THR 41 4.494 9.516 4.905 315 2HG2 THR 41 2HG2 THR 41 3.089 10.528 5.252 316 3HG2 THR 41 3HG2 THR 41 3.072 9.457 3.835 317 H ASN 42 H ASN 42 0.785 11.018 2.312 318 HA ASN 42 HA ASN 42 -0.354 9.723 0.880 319 1HB ASN 42 2HB ASN 42 1.616 10.921 -1.100 320 2HB ASN 42 3HB ASN 42 0.269 9.875 -1.539 321 1HD2 ASN 42 1HD2 ASN 42 0.862 12.935 0.382 322 2HD2 ASN 42 2HD2 ASN 42 -0.564 13.682 -0.262 323 H LYS 43 H LYS 43 1.659 8.407 2.441 324 HA LYS 43 HA LYS 43 3.112 6.644 0.490 325 1HB LYS 43 2HB LYS 43 4.515 8.054 1.841 326 2HB LYS 43 3HB LYS 43 3.762 7.416 3.324 327 1HG LYS 43 2HG LYS 43 4.673 5.259 3.045 328 2HG LYS 43 3HG LYS 43 5.202 5.578 1.385 329 1HD LYS 43 2HD LYS 43 6.169 7.355 3.651 330 2HD LYS 43 3HD LYS 43 6.877 5.754 3.499 331 1HE LYS 43 2HE LYS 43 6.727 7.606 1.062 332 2HE LYS 43 3HE LYS 43 8.001 7.803 2.256 333 1HZ LYS 43 1HZ LYS 43 8.851 6.271 0.639 334 2HZ LYS 43 2HZ LYS 43 8.490 5.413 1.962 335 3HZ LYS 43 3HZ LYS 43 7.478 5.367 0.697 336 H ALA 44 H ALA 44 2.554 4.608 0.389 337 HA ALA 44 HA ALA 44 1.132 3.236 2.644 338 1HB ALA 44 1HB ALA 44 0.611 1.512 1.026 339 2HB ALA 44 2HB ALA 44 0.106 3.062 0.327 340 3HB ALA 44 3HB ALA 44 1.609 2.298 -0.213 341 H HIS 45 H HIS 45 2.285 2.128 3.997 342 HA HIS 45 HA HIS 45 4.882 0.951 3.193 343 1HB HIS 45 2HB HIS 45 5.410 2.269 5.026 344 2HB HIS 45 3HB HIS 45 3.774 2.271 5.658 345 HD1 HIS 45 1HD HIS 45 4.113 1.486 8.058 346 HD2 HIS 45 2HD HIS 45 5.601 -1.067 5.103 347 HE1 HIS 45 1HE HIS 45 4.981 -0.582 9.278 348 H ILE 46 H ILE 46 4.437 -1.110 2.606 349 HA ILE 46 HA ILE 46 2.286 -2.615 4.023 350 HB ILE 46 HB ILE 46 3.435 -3.212 1.274 351 1HG1 ILE 46 2HG1 ILE 46 0.935 -2.683 0.654 352 2HG1 ILE 46 3HG1 ILE 46 0.970 -1.646 2.089 353 1HG2 ILE 46 1HG2 ILE 46 0.908 -4.211 2.616 354 2HG2 ILE 46 2HG2 ILE 46 1.695 -4.876 1.174 355 3HG2 ILE 46 3HG2 ILE 46 2.443 -5.088 2.758 356 1HD1 ILE 46 1HD1 ILE 46 2.791 -0.311 1.046 357 2HD1 ILE 46 2HD1 ILE 46 2.915 -1.510 -0.258 358 3HD1 ILE 46 3HD1 ILE 46 1.456 -0.505 -0.096 359 H LYS 47 H LYS 47 3.016 -4.291 5.186 360 HA LYS 47 HA LYS 47 5.863 -5.217 5.025 361 1HB LYS 47 2HB LYS 47 3.702 -5.128 7.120 362 2HB LYS 47 3HB LYS 47 4.925 -6.382 7.218 363 1HG LYS 47 2HG LYS 47 5.891 -3.578 6.761 364 2HG LYS 47 3HG LYS 47 5.197 -3.908 8.358 365 1HD LYS 47 2HD LYS 47 6.666 -5.980 8.511 366 2HD LYS 47 3HD LYS 47 7.390 -5.491 6.972 367 1HE LYS 47 2HE LYS 47 8.189 -3.374 8.121 368 2HE LYS 47 3HE LYS 47 7.530 -4.013 9.642 369 1HZ LYS 47 1HZ LYS 47 8.981 -5.975 9.304 370 2HZ LYS 47 2HZ LYS 47 9.576 -5.367 7.988 371 3HZ LYS 47 3HZ LYS 47 9.895 -4.584 9.430 372 H TYR 48 H TYR 48 5.725 -6.687 3.293 373 HA TYR 48 HA TYR 48 3.783 -8.876 3.566 374 1HB TYR 48 2HB TYR 48 3.117 -8.716 1.257 375 2HB TYR 48 3HB TYR 48 2.787 -7.179 2.030 376 HD1 TYR 48 HD1 TYR 48 4.380 -8.786 -0.733 377 HD2 TYR 48 HD2 TYR 48 4.571 -5.270 1.722 378 HE1 TYR 48 HE1 TYR 48 5.194 -7.471 -2.668 379 HE2 TYR 48 HE2 TYR 48 5.345 -3.943 -0.220 380 HH TYR 48 HH TYR 48 5.672 -5.400 -3.481 381 H ASP 49 H ASP 49 4.363 -10.822 2.511 382 HA ASP 49 HA ASP 49 7.195 -11.155 1.823 383 1HB ASP 49 2HB ASP 49 4.834 -13.042 1.674 384 2HB ASP 49 3HB ASP 49 6.485 -13.466 1.203 385 HA PRO 50 HA PRO 50 5.919 -9.612 -2.271 386 1HB PRO 50 2HB PRO 50 8.353 -9.399 -3.507 387 2HB PRO 50 3HB PRO 50 7.815 -8.273 -2.226 388 1HG PRO 50 2HG PRO 50 9.549 -10.742 -1.889 389 2HG PRO 50 3HG PRO 50 9.885 -9.086 -1.303 390 1HD PRO 50 2HD PRO 50 8.787 -10.922 0.333 391 2HD PRO 50 3HD PRO 50 8.174 -9.236 0.345 392 H GLU 51 H GLU 51 7.651 -12.546 -1.655 393 HA GLU 51 HA GLU 51 7.887 -13.817 -4.096 394 1HB GLU 51 2HB GLU 51 6.901 -14.960 -1.431 395 2HB GLU 51 3HB GLU 51 7.585 -15.896 -2.758 396 1HG GLU 51 2HG GLU 51 9.760 -14.924 -2.439 397 2HG GLU 51 3HG GLU 51 9.185 -13.727 -1.282 398 H ILE 52 H ILE 52 5.047 -13.654 -1.980 399 HA ILE 52 HA ILE 52 3.436 -15.206 -3.881 400 HB ILE 52 HB ILE 52 1.777 -15.063 -1.849 401 1HG1 ILE 52 2HG1 ILE 52 4.449 -14.635 -0.416 402 2HG1 ILE 52 3HG1 ILE 52 3.204 -13.397 -0.559 403 1HG2 ILE 52 1HG2 ILE 52 2.764 -17.160 -1.052 404 2HG2 ILE 52 2HG2 ILE 52 2.915 -17.070 -2.796 405 3HG2 ILE 52 3HG2 ILE 52 4.329 -16.727 -1.776 406 1HD1 ILE 52 1HD1 ILE 52 1.611 -14.896 0.653 407 2HD1 ILE 52 2HD1 ILE 52 2.902 -16.108 0.831 408 3HD1 ILE 52 3HD1 ILE 52 3.071 -14.549 1.603 409 H ILE 53 H ILE 53 2.545 -12.323 -1.960 410 HA ILE 53 HA ILE 53 0.473 -11.689 -3.890 411 HB ILE 53 HB ILE 53 0.139 -11.056 -1.649 412 1HG1 ILE 53 2HG1 ILE 53 0.532 -8.582 -3.384 413 2HG1 ILE 53 3HG1 ILE 53 -0.832 -9.712 -3.436 414 1HG2 ILE 53 1HG2 ILE 53 2.581 -10.547 -1.002 415 2HG2 ILE 53 2HG2 ILE 53 2.308 -8.942 -1.731 416 3HG2 ILE 53 3HG2 ILE 53 1.349 -9.474 -0.356 417 1HD1 ILE 53 1HD1 ILE 53 -1.265 -9.118 -1.009 418 2HD1 ILE 53 2HD1 ILE 53 -0.062 -7.824 -1.169 419 3HD1 ILE 53 3HD1 ILE 53 -1.525 -7.794 -2.168 420 H GLY 54 H GLY 54 3.461 -9.965 -3.022 421 1HA GLY 54 2HA GLY 54 5.070 -9.047 -4.348 422 2HA GLY 54 1HA GLY 54 4.223 -9.549 -5.810 423 HA PRO 55 HA PRO 55 3.817 -4.832 -4.790 424 1HB PRO 55 2HB PRO 55 5.307 -3.986 -6.987 425 2HB PRO 55 3HB PRO 55 5.914 -4.158 -5.327 426 1HG PRO 55 2HG PRO 55 6.165 -6.102 -7.620 427 2HG PRO 55 3HG PRO 55 7.412 -5.643 -6.429 428 1HD PRO 55 2HD PRO 55 6.005 -7.967 -6.211 429 2HD PRO 55 3HD PRO 55 6.428 -7.051 -4.752 430 H ARG 56 H ARG 56 3.900 -6.703 -7.804 431 HA ARG 56 HA ARG 56 2.318 -5.473 -9.586 432 1HB ARG 56 2HB ARG 56 1.620 -7.750 -10.319 433 2HB ARG 56 3HB ARG 56 3.338 -7.586 -9.965 434 1HG ARG 56 2HG ARG 56 2.554 -8.515 -7.544 435 2HG ARG 56 3HG ARG 56 1.240 -9.185 -8.516 436 1HD ARG 56 2HD ARG 56 2.868 -10.410 -9.878 437 2HD ARG 56 3HD ARG 56 4.208 -9.578 -9.046 438 HE ARG 56 HE ARG 56 2.432 -10.922 -7.185 439 1HH1 ARG 56 2HH2 ARG 56 5.289 -11.420 -9.221 440 2HH1 ARG 56 1HH2 ARG 56 5.947 -12.671 -8.202 441 1HH2 ARG 56 2HH1 ARG 56 3.143 -12.771 -6.048 442 2HH2 ARG 56 1HH1 ARG 56 4.762 -13.345 -6.225 443 H ASP 57 H ASP 57 0.828 -7.587 -7.090 444 HA ASP 57 HA ASP 57 -1.872 -7.032 -7.853 445 1HB ASP 57 2HB ASP 57 -1.269 -9.058 -6.614 446 2HB ASP 57 3HB ASP 57 -0.644 -8.090 -5.277 447 H ILE 58 H ILE 58 0.174 -5.896 -5.166 448 HA ILE 58 HA ILE 58 -1.647 -4.143 -3.941 449 HB ILE 58 HB ILE 58 1.381 -3.898 -4.181 450 1HG1 ILE 58 2HG1 ILE 58 -0.353 -5.124 -1.984 451 2HG1 ILE 58 3HG1 ILE 58 0.490 -6.062 -3.213 452 1HG2 ILE 58 1HG2 ILE 58 -0.533 -2.605 -2.186 453 2HG2 ILE 58 2HG2 ILE 58 1.238 -2.494 -2.151 454 3HG2 ILE 58 3HG2 ILE 58 0.347 -1.753 -3.469 455 1HD1 ILE 58 1HD1 ILE 58 1.796 -6.114 -1.229 456 2HD1 ILE 58 2HD1 ILE 58 2.655 -5.170 -2.465 457 3HD1 ILE 58 3HD1 ILE 58 1.836 -4.347 -1.116 458 H ILE 59 H ILE 59 0.774 -3.265 -6.468 459 HA ILE 59 HA ILE 59 -0.142 -0.603 -6.722 460 HB ILE 59 HB ILE 59 1.367 -2.501 -8.532 461 1HG1 ILE 59 2HG1 ILE 59 2.264 0.061 -7.183 462 2HG1 ILE 59 3HG1 ILE 59 2.375 -1.534 -6.422 463 1HG2 ILE 59 1HG2 ILE 59 0.739 0.411 -9.158 464 2HG2 ILE 59 2HG2 ILE 59 1.869 -0.627 -10.056 465 3HG2 ILE 59 3HG2 ILE 59 0.156 -1.002 -10.066 466 1HD1 ILE 59 1HD1 ILE 59 3.810 -0.662 -8.956 467 2HD1 ILE 59 2HD1 ILE 59 4.509 -1.027 -7.373 468 3HD1 ILE 59 3HD1 ILE 59 3.777 -2.329 -8.331 469 H HIS 60 H HIS 60 -1.185 -3.505 -8.593 470 HA HIS 60 HA HIS 60 -2.943 -2.047 -10.328 471 1HB HIS 60 2HB HIS 60 -2.986 -4.933 -9.345 472 2HB HIS 60 3HB HIS 60 -4.094 -4.286 -10.554 473 HD1 HIS 60 1HD HIS 60 -3.136 -6.053 -12.308 474 HD2 HIS 60 2HD HIS 60 -0.398 -3.188 -10.888 475 HE1 HIS 60 1HE HIS 60 -1.095 -6.151 -13.841 476 H THR 61 H THR 61 -3.443 -3.577 -7.164 477 HA THR 61 HA THR 61 -6.301 -3.210 -7.177 478 HB THR 61 HB THR 61 -4.348 -3.945 -4.954 479 HG1 THR 61 1HG THR 61 -4.551 -5.847 -5.949 480 1HG2 THR 61 1HG2 THR 61 -7.406 -4.023 -5.045 481 2HG2 THR 61 2HG2 THR 61 -6.400 -4.740 -3.773 482 3HG2 THR 61 3HG2 THR 61 -6.435 -2.986 -3.978 483 H ILE 62 H ILE 62 -3.570 -1.480 -5.554 484 HA ILE 62 HA ILE 62 -5.347 0.397 -4.309 485 HB ILE 62 HB ILE 62 -2.354 0.649 -4.751 486 1HG1 ILE 62 2HG1 ILE 62 -2.530 -1.270 -3.338 487 2HG1 ILE 62 3HG1 ILE 62 -2.360 0.054 -2.222 488 1HG2 ILE 62 1HG2 ILE 62 -3.278 2.808 -4.273 489 2HG2 ILE 62 2HG2 ILE 62 -4.369 2.148 -3.034 490 3HG2 ILE 62 3HG2 ILE 62 -2.626 2.212 -2.747 491 1HD1 ILE 62 1HD1 ILE 62 -4.891 -1.451 -2.975 492 2HD1 ILE 62 2HD1 ILE 62 -4.040 -1.463 -1.432 493 3HD1 ILE 62 3HD1 ILE 62 -4.871 0.014 -1.958 494 H GLU 63 H GLU 63 -3.678 0.438 -7.515 495 HA GLU 63 HA GLU 63 -4.495 3.010 -8.290 496 1HB GLU 63 2HB GLU 63 -3.019 1.373 -9.492 497 2HB GLU 63 3HB GLU 63 -4.442 0.445 -9.948 498 1HG GLU 63 2HG GLU 63 -4.004 3.385 -10.636 499 2HG GLU 63 3HG GLU 63 -3.488 2.005 -11.617 500 H SER 64 H SER 64 -6.204 -0.127 -8.712 501 HA SER 64 HA SER 64 -8.621 0.929 -9.563 502 1HB SER 64 2HB SER 64 -7.976 -1.417 -9.725 503 2HB SER 64 3HB SER 64 -8.265 -1.629 -7.983 504 HG SER 64 HG SER 64 -10.452 -0.610 -8.677 505 H LEU 65 H LEU 65 -7.505 0.714 -6.183 506 HA LEU 65 HA LEU 65 -10.096 1.308 -5.021 507 1HB LEU 65 2HB LEU 65 -7.336 1.874 -3.901 508 2HB LEU 65 3HB LEU 65 -8.859 1.984 -3.021 509 HG LEU 65 HG LEU 65 -7.472 -0.508 -3.991 510 1HD1 LEU 65 1HD1 LEU 65 -6.949 0.740 -1.797 511 2HD1 LEU 65 2HD1 LEU 65 -8.525 0.164 -1.237 512 3HD1 LEU 65 3HD1 LEU 65 -7.268 -1.000 -1.720 513 1HD2 LEU 65 1HD2 LEU 65 -10.302 -0.304 -2.898 514 2HD2 LEU 65 2HD2 LEU 65 -9.828 -0.905 -4.507 515 3HD2 LEU 65 3HD2 LEU 65 -9.366 -1.802 -3.056 516 H GLY 66 H GLY 66 -8.083 3.301 -6.936 517 1HA GLY 66 2HA GLY 66 -8.782 5.356 -7.729 518 2HA GLY 66 1HA GLY 66 -9.816 5.612 -6.318 519 H PHE 67 H PHE 67 -6.316 4.872 -6.796 520 HA PHE 67 HA PHE 67 -5.526 7.502 -5.742 521 1HB PHE 67 2HB PHE 67 -4.407 4.894 -4.634 522 2HB PHE 67 3HB PHE 67 -3.895 6.524 -4.194 523 HD1 PHE 67 1HD PHE 67 -6.181 3.838 -3.459 524 HD2 PHE 67 2HD PHE 67 -5.701 8.100 -3.186 525 HE1 PHE 67 1HE PHE 67 -7.921 3.920 -1.693 526 HE2 PHE 67 2HE PHE 67 -7.540 8.208 -1.537 527 HZ PHE 67 HZ PHE 67 -8.601 6.109 -0.720 528 H GLU 68 H GLU 68 -3.099 7.732 -6.130 529 HA GLU 68 HA GLU 68 -2.427 6.443 -8.715 530 1HB GLU 68 2HB GLU 68 -1.507 8.991 -7.408 531 2HB GLU 68 3HB GLU 68 -1.055 8.469 -9.032 532 1HG GLU 68 2HG GLU 68 -3.342 8.724 -9.814 533 2HG GLU 68 3HG GLU 68 -3.947 8.995 -8.171 534 HA PRO 69 HA PRO 69 0.692 4.593 -5.845 535 1HB PRO 69 2HB PRO 69 0.931 2.140 -7.040 536 2HB PRO 69 3HB PRO 69 -0.351 2.557 -5.861 537 1HG PRO 69 2HG PRO 69 -0.548 2.549 -8.867 538 2HG PRO 69 3HG PRO 69 -1.666 1.852 -7.653 539 1HD PRO 69 2HD PRO 69 -2.118 4.279 -8.789 540 2HD PRO 69 3HD PRO 69 -2.488 3.981 -7.063 541 H SER 70 H SER 70 2.723 5.144 -6.052 542 HA SER 70 HA SER 70 4.213 4.561 -8.552 543 1HB SER 70 2HB SER 70 5.384 6.762 -8.214 544 2HB SER 70 3HB SER 70 3.685 6.897 -8.698 545 HG SER 70 HG SER 70 3.289 7.086 -6.308 546 H LEU 71 H LEU 71 6.101 3.489 -8.056 547 HA LEU 71 HA LEU 71 6.622 2.736 -5.316 548 1HB LEU 71 2HB LEU 71 8.503 1.521 -6.156 549 2HB LEU 71 3HB LEU 71 7.134 1.306 -7.243 550 HG LEU 71 HG LEU 71 8.371 3.457 -8.430 551 1HD1 LEU 71 1HD1 LEU 71 10.623 1.706 -7.343 552 2HD1 LEU 71 2HD1 LEU 71 10.786 3.035 -8.506 553 3HD1 LEU 71 3HD1 LEU 71 10.308 3.376 -6.839 554 1HD2 LEU 71 1HD2 LEU 71 7.631 1.408 -9.572 555 2HD2 LEU 71 2HD2 LEU 71 9.280 1.836 -10.054 556 3HD2 LEU 71 3HD2 LEU 71 9.012 0.515 -8.895 557 H VAL 72 H VAL 72 8.195 3.524 -3.892 558 HA VAL 72 HA VAL 72 9.942 5.748 -4.801 559 HB VAL 72 HB VAL 72 8.075 6.034 -2.407 560 1HG1 VAL 72 1HG1 VAL 72 9.022 8.325 -2.266 561 2HG1 VAL 72 2HG1 VAL 72 10.290 7.125 -2.024 562 3HG1 VAL 72 3HG1 VAL 72 10.146 7.947 -3.586 563 1HG2 VAL 72 1HG2 VAL 72 8.136 7.465 -5.106 564 2HG2 VAL 72 2HG2 VAL 72 6.820 6.458 -4.462 565 3HG2 VAL 72 3HG2 VAL 72 7.202 8.007 -3.707 566 H LYS 73 H LYS 73 9.057 3.548 -2.077 567 HA LYS 73 HA LYS 73 10.279 2.846 -0.332 568 1HB LYS 73 2HB LYS 73 11.655 1.982 -2.328 569 2HB LYS 73 3HB LYS 73 12.858 3.197 -1.896 570 1HG LYS 73 2HG LYS 73 13.246 2.094 0.242 571 2HG LYS 73 3HG LYS 73 11.750 1.181 0.116 572 1HD LYS 73 2HD LYS 73 13.685 -0.271 -0.360 573 2HD LYS 73 3HD LYS 73 12.528 -0.175 -1.688 574 1HE LYS 73 2HE LYS 73 14.804 -0.120 -2.593 575 2HE LYS 73 3HE LYS 73 13.982 1.409 -2.908 576 1HZ LYS 73 1HZ LYS 73 15.971 2.137 -2.119 577 2HZ LYS 73 2HZ LYS 73 15.101 2.214 -0.836 578 3HZ LYS 73 3HZ LYS 73 16.147 0.940 -0.968 579 H ILE 74 H ILE 74 13.267 4.432 -0.170 580 HA ILE 74 HA ILE 74 12.081 7.081 0.498 581 HB ILE 74 HB ILE 74 13.975 5.618 2.402 582 1HG1 ILE 74 2HG1 ILE 74 11.878 6.173 3.968 583 2HG1 ILE 74 3HG1 ILE 74 10.979 5.943 2.474 584 1HG2 ILE 74 1HG2 ILE 74 14.331 8.064 2.257 585 2HG2 ILE 74 2HG2 ILE 74 12.606 8.322 2.604 586 3HG2 ILE 74 3HG2 ILE 74 13.667 7.569 3.816 587 1HD1 ILE 74 1HD1 ILE 74 12.026 3.653 2.284 588 2HD1 ILE 74 2HD1 ILE 74 12.966 3.999 3.752 589 3HD1 ILE 74 3HD1 ILE 74 11.202 3.870 3.839 590 H GLU 75 H GLU 75 15.100 5.387 0.771 591 HA GLU 75 HA GLU 75 16.110 6.471 -1.743 592 1HB GLU 75 2HB GLU 75 17.750 6.782 0.208 593 2HB GLU 75 3HB GLU 75 17.640 5.039 0.495 594 1HG GLU 75 2HG GLU 75 18.529 4.657 -1.824 595 2HG GLU 75 3HG GLU 75 18.703 6.411 -2.010 Start of MODEL 12 1 1H MET 1 H1 MET 1 8.270 -17.371 3.245 2 2H MET 1 H2 MET 1 6.955 -17.764 4.146 3 3H MET 1 H3 MET 1 7.176 -16.215 3.640 4 HA MET 1 HA MET 1 7.737 -16.101 5.821 5 1HB MET 1 2HB MET 1 8.093 -18.550 6.175 6 2HB MET 1 3HB MET 1 9.695 -18.394 5.434 7 1HG MET 1 2HG MET 1 10.205 -16.598 7.192 8 2HG MET 1 3HG MET 1 8.675 -17.002 7.958 9 1HE MET 1 1HE MET 1 8.649 -20.219 7.816 10 2HE MET 1 2HE MET 1 9.439 -20.562 9.372 11 3HE MET 1 3HE MET 1 8.253 -19.240 9.257 12 H GLY 2 H GLY 2 8.169 -14.325 4.266 13 1HA GLY 2 2HA GLY 2 10.995 -13.526 4.653 14 2HA GLY 2 1HA GLY 2 10.273 -13.328 3.035 15 H ASP 3 H ASP 3 10.398 -11.007 3.291 16 HA ASP 3 HA ASP 3 7.908 -9.937 4.092 17 1HB ASP 3 2HB ASP 3 9.022 -9.819 6.310 18 2HB ASP 3 3HB ASP 3 10.381 -8.938 5.588 19 H GLY 4 H GLY 4 8.031 -7.563 3.430 20 1HA GLY 4 2HA GLY 4 10.128 -6.724 1.557 21 2HA GLY 4 1HA GLY 4 8.613 -7.227 0.765 22 H VAL 5 H VAL 5 9.970 -5.137 3.280 23 HA VAL 5 HA VAL 5 7.614 -3.656 3.879 24 HB VAL 5 HB VAL 5 10.482 -2.706 4.271 25 1HG1 VAL 5 1HG1 VAL 5 8.671 -1.046 4.731 26 2HG1 VAL 5 2HG1 VAL 5 7.893 -2.207 5.822 27 3HG1 VAL 5 3HG1 VAL 5 9.493 -1.546 6.213 28 1HG2 VAL 5 1HG2 VAL 5 8.862 -4.691 5.882 29 2HG2 VAL 5 2HG2 VAL 5 10.487 -4.907 5.219 30 3HG2 VAL 5 3HG2 VAL 5 10.232 -3.787 6.559 31 H LEU 6 H LEU 6 6.900 -3.361 1.649 32 HA LEU 6 HA LEU 6 8.523 -1.670 -0.109 33 1HB LEU 6 2HB LEU 6 7.210 -3.724 -0.788 34 2HB LEU 6 3HB LEU 6 5.738 -2.757 -0.558 35 HG LEU 6 HG LEU 6 6.780 -1.114 -2.281 36 1HD1 LEU 6 1HD1 LEU 6 8.391 -2.169 -3.860 37 2HD1 LEU 6 2HD1 LEU 6 9.105 -1.945 -2.259 38 3HD1 LEU 6 3HD1 LEU 6 8.552 -3.556 -2.768 39 1HD2 LEU 6 1HD2 LEU 6 5.983 -2.546 -4.165 40 2HD2 LEU 6 2HD2 LEU 6 6.031 -3.954 -3.090 41 3HD2 LEU 6 3HD2 LEU 6 4.891 -2.646 -2.774 42 H GLU 7 H GLU 7 8.510 0.467 0.274 43 HA GLU 7 HA GLU 7 6.088 1.887 1.160 44 1HB GLU 7 2HB GLU 7 8.823 2.921 0.340 45 2HB GLU 7 3HB GLU 7 7.454 3.853 0.960 46 1HG GLU 7 2HG GLU 7 7.570 2.298 3.036 47 2HG GLU 7 3HG GLU 7 9.165 1.838 2.405 48 H LEU 8 H LEU 8 4.615 2.533 -0.252 49 HA LEU 8 HA LEU 8 5.495 3.530 -2.890 50 1HB LEU 8 2HB LEU 8 2.873 2.959 -3.357 51 2HB LEU 8 3HB LEU 8 4.188 1.925 -3.873 52 HG LEU 8 HG LEU 8 2.935 1.464 -1.148 53 1HD1 LEU 8 1HD1 LEU 8 1.058 1.548 -2.694 54 2HD1 LEU 8 2HD1 LEU 8 1.878 0.396 -3.784 55 3HD1 LEU 8 3HD1 LEU 8 1.382 -0.108 -2.162 56 1HD2 LEU 8 1HD2 LEU 8 4.177 -0.372 -3.265 57 2HD2 LEU 8 2HD2 LEU 8 5.023 0.202 -1.821 58 3HD2 LEU 8 3HD2 LEU 8 3.636 -0.864 -1.650 59 H VAL 9 H VAL 9 5.034 5.667 -3.054 60 HA VAL 9 HA VAL 9 3.389 6.947 -0.944 61 HB VAL 9 HB VAL 9 5.321 8.007 -3.011 62 1HG1 VAL 9 1HG1 VAL 9 3.387 9.560 -2.987 63 2HG1 VAL 9 2HG1 VAL 9 3.481 9.643 -1.215 64 3HG1 VAL 9 3HG1 VAL 9 4.805 10.275 -2.211 65 1HG2 VAL 9 1HG2 VAL 9 6.405 8.893 -0.966 66 2HG2 VAL 9 2HG2 VAL 9 5.065 8.309 0.032 67 3HG2 VAL 9 3HG2 VAL 9 6.136 7.144 -0.764 68 H VAL 10 H VAL 10 1.305 7.069 -1.308 69 HA VAL 10 HA VAL 10 0.300 6.070 -3.926 70 HB VAL 10 HB VAL 10 -1.764 5.579 -2.497 71 1HG1 VAL 10 1HG1 VAL 10 0.895 4.124 -2.215 72 2HG1 VAL 10 2HG1 VAL 10 -0.653 3.463 -1.664 73 3HG1 VAL 10 3HG1 VAL 10 -0.409 3.811 -3.385 74 1HG2 VAL 10 1HG2 VAL 10 -0.784 6.963 -0.569 75 2HG2 VAL 10 2HG2 VAL 10 -1.481 5.366 -0.182 76 3HG2 VAL 10 3HG2 VAL 10 0.284 5.583 -0.268 77 H ARG 11 H ARG 11 0.464 8.026 -4.934 78 HA ARG 11 HA ARG 11 -0.444 10.521 -3.776 79 1HB ARG 11 2HB ARG 11 0.379 9.855 -6.622 80 2HB ARG 11 3HB ARG 11 0.138 11.485 -5.959 81 1HG ARG 11 2HG ARG 11 1.850 11.028 -4.214 82 2HG ARG 11 3HG ARG 11 2.119 9.414 -4.896 83 1HD ARG 11 2HD ARG 11 2.913 10.415 -6.990 84 2HD ARG 11 3HD ARG 11 2.700 12.029 -6.306 85 HE ARG 11 HE ARG 11 4.270 11.266 -4.438 86 1HH1 ARG 11 2HH2 ARG 11 4.706 9.585 -7.517 87 2HH1 ARG 11 1HH2 ARG 11 6.391 10.021 -7.654 88 1HH2 ARG 11 2HH1 ARG 11 6.647 11.054 -4.280 89 2HH2 ARG 11 1HH1 ARG 11 7.513 10.580 -5.608 90 H GLY 12 H GLY 12 -2.537 10.877 -3.314 91 1HA GLY 12 2HA GLY 12 -4.538 11.224 -5.199 92 2HA GLY 12 1HA GLY 12 -4.629 9.514 -4.772 93 H MET 13 H MET 13 -3.972 9.739 -1.908 94 HA MET 13 HA MET 13 -6.609 10.341 -1.012 95 1HB MET 13 2HB MET 13 -4.179 10.275 0.790 96 2HB MET 13 3HB MET 13 -5.865 10.051 1.238 97 1HG MET 13 2HG MET 13 -5.346 7.859 1.168 98 2HG MET 13 3HG MET 13 -5.707 8.049 -0.548 99 1HE MET 13 1HE MET 13 -3.122 7.805 2.256 100 2HE MET 13 2HE MET 13 -1.553 7.670 1.434 101 3HE MET 13 3HE MET 13 -2.392 9.222 1.470 102 H THR 14 H THR 14 -7.144 11.885 0.753 103 HA THR 14 HA THR 14 -5.781 14.405 0.928 104 HB THR 14 HB THR 14 -6.493 14.762 -1.316 105 HG1 THR 14 1HG THR 14 -6.838 16.507 0.053 106 1HG2 THR 14 1HG2 THR 14 -8.689 14.568 -2.193 107 2HG2 THR 14 2HG2 THR 14 -8.314 13.003 -1.471 108 3HG2 THR 14 3HG2 THR 14 -9.394 14.151 -0.636 109 H CYS 15 H CYS 15 -9.095 12.990 0.967 110 HA CYS 15 HA CYS 15 -9.712 14.259 3.525 111 1HB CYS 15 2HB CYS 15 -11.229 12.186 1.868 112 2HB CYS 15 3HB CYS 15 -11.854 13.030 3.295 113 HG CYS 15 HG CYS 15 -11.438 15.459 2.297 114 H ALA 16 H ALA 16 -10.698 12.770 5.235 115 HA ALA 16 HA ALA 16 -8.943 10.589 6.035 116 1HB ALA 16 1HB ALA 16 -11.713 11.381 7.037 117 2HB ALA 16 2HB ALA 16 -10.559 10.312 7.859 118 3HB ALA 16 3HB ALA 16 -10.178 12.029 7.662 119 H SER 17 H SER 17 -10.614 8.567 6.764 120 HA SER 17 HA SER 17 -11.637 6.691 6.072 121 1HB SER 17 2HB SER 17 -12.796 8.212 3.700 122 2HB SER 17 3HB SER 17 -13.338 6.687 4.409 123 HG SER 17 HG SER 17 -14.511 8.559 5.170 124 H CYS 18 H CYS 18 -10.483 8.308 3.054 125 HA CYS 18 HA CYS 18 -9.644 6.247 1.463 126 1HB CYS 18 2HB CYS 18 -8.149 8.821 2.124 127 2HB CYS 18 3HB CYS 18 -7.750 7.728 0.780 128 HG CYS 18 HG CYS 18 -9.019 9.802 -0.128 129 H VAL 19 H VAL 19 -7.688 7.528 4.151 130 HA VAL 19 HA VAL 19 -5.497 5.823 4.011 131 HB VAL 19 HB VAL 19 -6.871 6.863 6.535 132 1HG1 VAL 19 1HG1 VAL 19 -3.984 6.087 5.995 133 2HG1 VAL 19 2HG1 VAL 19 -4.605 6.753 7.516 134 3HG1 VAL 19 3HG1 VAL 19 -5.112 5.143 6.994 135 1HG2 VAL 19 1HG2 VAL 19 -4.790 8.120 4.697 136 2HG2 VAL 19 2HG2 VAL 19 -6.418 8.749 5.047 137 3HG2 VAL 19 3HG2 VAL 19 -5.194 8.719 6.319 138 H HIS 20 H HIS 20 -8.567 5.232 5.856 139 HA HIS 20 HA HIS 20 -7.708 2.620 6.768 140 1HB HIS 20 2HB HIS 20 -9.297 3.094 8.252 141 2HB HIS 20 3HB HIS 20 -9.827 4.506 7.350 142 HD1 HIS 20 1HD HIS 20 -10.836 0.927 8.054 143 HD2 HIS 20 2HD HIS 20 -11.551 3.867 5.193 144 HE1 HIS 20 1HE HIS 20 -12.875 0.206 6.757 145 H LYS 21 H LYS 21 -9.423 3.994 3.995 146 HA LYS 21 HA LYS 21 -10.689 1.639 3.095 147 1HB LYS 21 2HB LYS 21 -10.608 4.254 2.271 148 2HB LYS 21 3HB LYS 21 -9.634 3.519 1.006 149 1HG LYS 21 2HG LYS 21 -12.462 2.763 1.841 150 2HG LYS 21 3HG LYS 21 -11.990 3.687 0.399 151 1HD LYS 21 2HD LYS 21 -10.618 1.675 -0.344 152 2HD LYS 21 3HD LYS 21 -11.370 0.739 0.949 153 1HE LYS 21 2HE LYS 21 -12.777 2.105 -1.400 154 2HE LYS 21 3HE LYS 21 -12.519 0.369 -1.193 155 1HZ LYS 21 1HZ LYS 21 -14.732 0.981 -0.584 156 2HZ LYS 21 2HZ LYS 21 -13.939 0.461 0.760 157 3HZ LYS 21 3HZ LYS 21 -14.204 2.068 0.526 158 H ILE 22 H ILE 22 -7.492 2.995 2.561 159 HA ILE 22 HA ILE 22 -6.553 0.969 0.695 160 HB ILE 22 HB ILE 22 -5.133 3.037 2.407 161 1HG1 ILE 22 2HG1 ILE 22 -5.640 2.939 -0.575 162 2HG1 ILE 22 3HG1 ILE 22 -6.589 3.873 0.592 163 1HG2 ILE 22 1HG2 ILE 22 -3.613 1.126 1.909 164 2HG2 ILE 22 2HG2 ILE 22 -4.034 1.290 0.183 165 3HG2 ILE 22 3HG2 ILE 22 -3.143 2.578 1.023 166 1HD1 ILE 22 1HD1 ILE 22 -3.689 4.384 -0.144 167 2HD1 ILE 22 2HD1 ILE 22 -5.091 5.392 -0.450 168 3HD1 ILE 22 3HD1 ILE 22 -4.570 5.155 1.214 169 H GLU 23 H GLU 23 -5.792 1.740 4.123 170 HA GLU 23 HA GLU 23 -4.266 -0.457 4.729 171 1HB GLU 23 2HB GLU 23 -5.300 1.696 6.146 172 2HB GLU 23 3HB GLU 23 -6.192 0.389 6.883 173 1HG GLU 23 2HG GLU 23 -3.156 0.470 6.632 174 2HG GLU 23 3HG GLU 23 -4.096 0.820 8.090 175 H SER 24 H SER 24 -7.745 -0.196 5.297 176 HA SER 24 HA SER 24 -7.993 -2.786 6.475 177 1HB SER 24 2HB SER 24 -10.262 -1.193 5.212 178 2HB SER 24 3HB SER 24 -10.371 -2.439 6.472 179 HG SER 24 HG SER 24 -9.131 0.105 6.640 180 H SER 25 H SER 25 -8.627 -1.557 3.161 181 HA SER 25 HA SER 25 -9.614 -4.049 2.145 182 1HB SER 25 2HB SER 25 -9.872 -1.805 1.066 183 2HB SER 25 3HB SER 25 -8.154 -1.856 0.639 184 HG SER 25 HG SER 25 -9.221 -2.683 -1.088 185 H LEU 26 H LEU 26 -6.261 -2.595 2.225 186 HA LEU 26 HA LEU 26 -5.163 -4.796 0.832 187 1HB LEU 26 2HB LEU 26 -3.999 -2.539 2.423 188 2HB LEU 26 3HB LEU 26 -2.983 -3.949 2.138 189 HG LEU 26 HG LEU 26 -2.647 -2.258 0.453 190 1HD1 LEU 26 1HD1 LEU 26 -2.618 -3.664 -1.476 191 2HD1 LEU 26 2HD1 LEU 26 -2.279 -4.657 -0.042 192 3HD1 LEU 26 3HD1 LEU 26 -3.860 -4.733 -0.845 193 1HD2 LEU 26 1HD2 LEU 26 -4.358 -1.950 -1.374 194 2HD2 LEU 26 2HD2 LEU 26 -5.553 -2.758 -0.372 195 3HD2 LEU 26 3HD2 LEU 26 -4.824 -1.225 0.169 196 H THR 27 H THR 27 -5.625 -4.382 4.367 197 HA THR 27 HA THR 27 -4.138 -6.618 5.084 198 HB THR 27 HB THR 27 -5.566 -6.879 7.065 199 HG1 THR 27 1HG THR 27 -7.236 -5.065 5.682 200 1HG2 THR 27 1HG2 THR 27 -5.147 -4.669 8.037 201 2HG2 THR 27 2HG2 THR 27 -3.758 -5.233 7.093 202 3HG2 THR 27 3HG2 THR 27 -4.834 -3.990 6.444 203 H LYS 28 H LYS 28 -7.054 -6.765 3.155 204 HA LYS 28 HA LYS 28 -7.911 -9.427 3.829 205 1HB LYS 28 2HB LYS 28 -7.914 -8.114 1.124 206 2HB LYS 28 3HB LYS 28 -8.942 -9.452 1.612 207 1HG LYS 28 2HG LYS 28 -10.214 -8.080 3.136 208 2HG LYS 28 3HG LYS 28 -9.155 -6.712 2.933 209 1HD LYS 28 2HD LYS 28 -11.255 -7.778 1.074 210 2HD LYS 28 3HD LYS 28 -10.937 -6.127 1.609 211 1HE LYS 28 2HE LYS 28 -8.694 -6.498 0.062 212 2HE LYS 28 3HE LYS 28 -9.729 -7.720 -0.663 213 1HZ LYS 28 1HZ LYS 28 -9.878 -5.701 -1.792 214 2HZ LYS 28 2HZ LYS 28 -11.309 -5.809 -0.979 215 3HZ LYS 28 3HZ LYS 28 -10.090 -4.803 -0.448 216 H HIS 29 H HIS 29 -5.162 -8.182 1.972 217 HA HIS 29 HA HIS 29 -4.974 -10.429 0.159 218 1HB HIS 29 2HB HIS 29 -3.192 -8.017 0.723 219 2HB HIS 29 3HB HIS 29 -2.879 -9.195 -0.541 220 HD1 HIS 29 1HD HIS 29 -3.710 -8.484 -2.838 221 HD2 HIS 29 2HD HIS 29 -5.956 -6.955 0.374 222 HE1 HIS 29 1HE HIS 29 -5.676 -7.268 -3.850 223 H ARG 30 H ARG 30 -4.940 -11.838 2.191 224 HA ARG 30 HA ARG 30 -3.546 -12.161 4.226 225 1HB ARG 30 2HB ARG 30 -3.861 -14.519 2.343 226 2HB ARG 30 3HB ARG 30 -3.576 -14.600 4.085 227 1HG ARG 30 2HG ARG 30 -5.733 -13.130 4.317 228 2HG ARG 30 3HG ARG 30 -6.034 -13.557 2.625 229 1HD ARG 30 2HD ARG 30 -7.231 -15.094 4.040 230 2HD ARG 30 3HD ARG 30 -5.912 -15.963 3.215 231 HE ARG 30 HE ARG 30 -5.030 -14.964 5.760 232 1HH1 ARG 30 2HH2 ARG 30 -7.106 -17.459 4.408 233 2HH1 ARG 30 1HH2 ARG 30 -6.883 -18.597 5.701 234 1HH2 ARG 30 2HH1 ARG 30 -4.683 -16.439 7.505 235 2HH2 ARG 30 1HH1 ARG 30 -5.470 -17.983 7.523 236 H GLY 31 H GLY 31 -1.538 -12.363 1.366 237 1HA GLY 31 2HA GLY 31 0.750 -13.605 2.748 238 2HA GLY 31 1HA GLY 31 0.759 -12.785 1.180 239 H ILE 32 H ILE 32 -0.844 -10.547 2.645 240 HA ILE 32 HA ILE 32 1.235 -8.794 3.459 241 HB ILE 32 HB ILE 32 -0.984 -8.395 2.271 242 1HG1 ILE 32 2HG1 ILE 32 0.266 -6.527 2.678 243 2HG1 ILE 32 3HG1 ILE 32 -1.364 -6.158 3.215 244 1HG2 ILE 32 1HG2 ILE 32 -2.340 -9.599 4.014 245 2HG2 ILE 32 2HG2 ILE 32 -2.053 -8.216 5.090 246 3HG2 ILE 32 3HG2 ILE 32 -2.914 -7.988 3.557 247 1HD1 ILE 32 1HD1 ILE 32 -0.594 -6.674 5.597 248 2HD1 ILE 32 2HD1 ILE 32 1.051 -6.764 4.909 249 3HD1 ILE 32 3HD1 ILE 32 0.128 -5.265 4.810 250 H LEU 33 H LEU 33 2.115 -8.660 5.435 251 HA LEU 33 HA LEU 33 0.982 -10.145 7.744 252 1HB LEU 33 2HB LEU 33 3.605 -8.623 7.543 253 2HB LEU 33 3HB LEU 33 3.105 -9.754 8.796 254 HG LEU 33 HG LEU 33 3.651 -10.474 5.870 255 1HD1 LEU 33 1HD1 LEU 33 5.655 -11.573 6.759 256 2HD1 LEU 33 2HD1 LEU 33 5.677 -9.837 7.102 257 3HD1 LEU 33 3HD1 LEU 33 5.271 -10.992 8.394 258 1HD2 LEU 33 1HD2 LEU 33 1.983 -12.007 6.816 259 2HD2 LEU 33 2HD2 LEU 33 3.545 -12.823 6.705 260 3HD2 LEU 33 3HD2 LEU 33 2.975 -12.227 8.278 261 H TYR 34 H TYR 34 2.063 -6.842 6.777 262 HA TYR 34 HA TYR 34 0.082 -5.632 8.620 263 1HB TYR 34 2HB TYR 34 2.184 -6.114 9.951 264 2HB TYR 34 3HB TYR 34 3.089 -5.168 8.804 265 HD1 TYR 34 HD1 TYR 34 0.334 -4.911 11.324 266 HD2 TYR 34 HD2 TYR 34 3.208 -2.798 8.905 267 HE1 TYR 34 HE1 TYR 34 -0.218 -2.792 12.500 268 HE2 TYR 34 HE2 TYR 34 2.730 -0.720 10.144 269 HH TYR 34 HH TYR 34 0.985 0.306 11.361 270 H CYS 35 H CYS 35 -0.591 -3.565 7.816 271 HA CYS 35 HA CYS 35 1.202 -2.255 5.851 272 1HB CYS 35 2HB CYS 35 -1.419 -1.241 5.381 273 2HB CYS 35 3HB CYS 35 -0.342 -2.006 4.256 274 HG CYS 35 HG CYS 35 -2.740 -3.104 6.124 275 H SER 36 H SER 36 0.949 0.033 5.826 276 HA SER 36 HA SER 36 -0.811 1.315 7.724 277 1HB SER 36 2HB SER 36 2.192 1.477 8.177 278 2HB SER 36 3HB SER 36 1.082 2.754 8.706 279 HG SER 36 HG SER 36 0.415 0.138 9.374 280 H VAL 37 H VAL 37 -1.737 2.622 6.156 281 HA VAL 37 HA VAL 37 0.116 4.287 4.624 282 HB VAL 37 HB VAL 37 -1.499 3.013 3.331 283 1HG1 VAL 37 1HG1 VAL 37 -3.378 3.863 5.447 284 2HG1 VAL 37 2HG1 VAL 37 -3.973 4.135 3.817 285 3HG1 VAL 37 3HG1 VAL 37 -3.452 2.508 4.313 286 1HG2 VAL 37 1HG2 VAL 37 -2.511 4.730 2.033 287 2HG2 VAL 37 2HG2 VAL 37 -2.327 5.924 3.338 288 3HG2 VAL 37 3HG2 VAL 37 -0.903 5.251 2.504 289 H ALA 38 H ALA 38 -0.169 6.587 4.595 290 HA ALA 38 HA ALA 38 -1.977 7.798 6.602 291 1HB ALA 38 1HB ALA 38 -0.032 7.393 7.970 292 2HB ALA 38 2HB ALA 38 1.031 8.080 6.723 293 3HB ALA 38 3HB ALA 38 -0.145 9.124 7.569 294 H LEU 39 H LEU 39 -2.661 9.762 6.047 295 HA LEU 39 HA LEU 39 -2.249 10.461 3.286 296 1HB LEU 39 2HB LEU 39 -4.038 11.957 3.454 297 2HB LEU 39 3HB LEU 39 -4.437 10.509 4.356 298 HG LEU 39 HG LEU 39 -3.546 11.988 6.434 299 1HD1 LEU 39 1HD1 LEU 39 -4.222 14.343 6.171 300 2HD1 LEU 39 2HD1 LEU 39 -2.988 14.001 4.956 301 3HD1 LEU 39 3HD1 LEU 39 -4.689 14.061 4.486 302 1HD2 LEU 39 1HD2 LEU 39 -5.902 12.687 6.796 303 2HD2 LEU 39 2HD2 LEU 39 -6.279 12.272 5.111 304 3HD2 LEU 39 3HD2 LEU 39 -5.792 11.007 6.258 305 H ALA 40 H ALA 40 -1.231 11.968 6.358 306 HA ALA 40 HA ALA 40 -0.527 14.486 5.292 307 1HB ALA 40 1HB ALA 40 0.649 12.995 7.681 308 2HB ALA 40 2HB ALA 40 0.796 14.736 7.357 309 3HB ALA 40 3HB ALA 40 -0.797 14.034 7.700 310 H THR 41 H THR 41 1.202 11.434 5.423 311 HA THR 41 HA THR 41 3.621 12.637 4.132 312 HB THR 41 HB THR 41 4.014 11.552 6.199 313 HG1 THR 41 1HG THR 41 5.567 10.104 5.524 314 1HG2 THR 41 1HG2 THR 41 2.238 10.081 6.591 315 2HG2 THR 41 2HG2 THR 41 2.522 9.177 5.089 316 3HG2 THR 41 3HG2 THR 41 3.660 9.047 6.444 317 H ASN 42 H ASN 42 0.715 11.158 3.328 318 HA ASN 42 HA ASN 42 -0.116 9.971 1.671 319 1HB ASN 42 2HB ASN 42 0.561 12.050 0.503 320 2HB ASN 42 3HB ASN 42 2.093 11.286 0.045 321 1HD2 ASN 42 1HD2 ASN 42 -1.471 10.598 -0.062 322 2HD2 ASN 42 2HD2 ASN 42 -1.379 9.684 -1.560 323 H LYS 43 H LYS 43 1.880 8.616 3.251 324 HA LYS 43 HA LYS 43 3.435 6.914 1.375 325 1HB LYS 43 2HB LYS 43 4.542 8.014 3.301 326 2HB LYS 43 3HB LYS 43 3.431 7.207 4.407 327 1HG LYS 43 2HG LYS 43 5.384 5.966 4.586 328 2HG LYS 43 3HG LYS 43 4.335 4.978 3.591 329 1HD LYS 43 2HD LYS 43 6.536 4.903 2.750 330 2HD LYS 43 3HD LYS 43 5.578 5.783 1.548 331 1HE LYS 43 2HE LYS 43 6.519 7.935 2.314 332 2HE LYS 43 3HE LYS 43 7.272 7.149 3.715 333 1HZ LYS 43 1HZ LYS 43 8.840 7.625 1.973 334 2HZ LYS 43 2HZ LYS 43 8.766 6.022 2.257 335 3HZ LYS 43 3HZ LYS 43 8.049 6.634 0.923 336 H ALA 44 H ALA 44 2.774 4.870 1.004 337 HA ALA 44 HA ALA 44 1.111 3.419 3.032 338 1HB ALA 44 1HB ALA 44 -0.199 3.574 0.954 339 2HB ALA 44 2HB ALA 44 1.193 2.976 0.024 340 3HB ALA 44 3HB ALA 44 0.400 1.932 1.218 341 H HIS 45 H HIS 45 2.537 2.254 4.201 342 HA HIS 45 HA HIS 45 4.686 0.885 2.634 343 1HB HIS 45 2HB HIS 45 6.066 0.815 4.326 344 2HB HIS 45 3HB HIS 45 5.241 2.289 4.809 345 HD1 HIS 45 1HD HIS 45 4.966 2.150 7.396 346 HD2 HIS 45 2HD HIS 45 4.797 -1.549 5.422 347 HE1 HIS 45 1HE HIS 45 4.824 0.365 9.218 348 H ILE 46 H ILE 46 4.504 -1.278 2.365 349 HA ILE 46 HA ILE 46 2.496 -2.720 4.036 350 HB ILE 46 HB ILE 46 3.022 -3.296 1.090 351 1HG1 ILE 46 2HG1 ILE 46 0.406 -2.715 1.137 352 2HG1 ILE 46 3HG1 ILE 46 0.867 -1.686 2.491 353 1HG2 ILE 46 1HG2 ILE 46 1.191 -4.858 1.351 354 2HG2 ILE 46 2HG2 ILE 46 2.324 -5.218 2.660 355 3HG2 ILE 46 3HG2 ILE 46 0.869 -4.267 2.989 356 1HD1 ILE 46 1HD1 ILE 46 1.936 -1.566 -0.342 357 2HD1 ILE 46 2HD1 ILE 46 0.767 -0.451 0.396 358 3HD1 ILE 46 3HD1 ILE 46 2.447 -0.467 0.960 359 H LYS 47 H LYS 47 3.258 -4.392 5.046 360 HA LYS 47 HA LYS 47 5.909 -5.620 4.441 361 1HB LYS 47 2HB LYS 47 4.173 -5.742 6.926 362 2HB LYS 47 3HB LYS 47 5.720 -6.562 6.682 363 1HG LYS 47 2HG LYS 47 6.824 -4.349 6.499 364 2HG LYS 47 3HG LYS 47 5.264 -3.559 6.760 365 1HD LYS 47 2HD LYS 47 5.419 -3.789 8.965 366 2HD LYS 47 3HD LYS 47 5.508 -5.545 8.810 367 1HE LYS 47 2HE LYS 47 7.941 -3.699 8.543 368 2HE LYS 47 3HE LYS 47 7.418 -4.398 10.080 369 1HZ LYS 47 1HZ LYS 47 8.237 -6.016 7.720 370 2HZ LYS 47 2HZ LYS 47 9.120 -5.744 9.040 371 3HZ LYS 47 3HZ LYS 47 7.726 -6.597 9.143 372 H TYR 48 H TYR 48 4.944 -6.873 2.676 373 HA TYR 48 HA TYR 48 3.302 -9.115 3.626 374 1HB TYR 48 2HB TYR 48 2.557 -9.365 1.257 375 2HB TYR 48 3HB TYR 48 2.212 -7.723 1.795 376 HD1 TYR 48 HD1 TYR 48 3.992 -9.721 -0.664 377 HD2 TYR 48 HD2 TYR 48 3.812 -5.826 1.177 378 HE1 TYR 48 HE1 TYR 48 5.497 -8.777 -2.412 379 HE2 TYR 48 HE2 TYR 48 5.396 -4.974 -0.447 380 HH TYR 48 HH TYR 48 6.972 -5.583 -2.034 381 H ASP 49 H ASP 49 3.865 -11.247 2.618 382 HA ASP 49 HA ASP 49 6.732 -11.662 2.329 383 1HB ASP 49 2HB ASP 49 4.286 -13.411 2.136 384 2HB ASP 49 3HB ASP 49 5.874 -13.968 1.583 385 HA PRO 50 HA PRO 50 6.170 -10.779 -2.192 386 1HB PRO 50 2HB PRO 50 8.799 -10.595 -2.922 387 2HB PRO 50 3HB PRO 50 7.962 -9.268 -2.064 388 1HG PRO 50 2HG PRO 50 9.680 -11.446 -0.831 389 2HG PRO 50 3HG PRO 50 9.819 -9.679 -0.591 390 1HD PRO 50 2HD PRO 50 8.480 -11.191 1.176 391 2HD PRO 50 3HD PRO 50 7.834 -9.600 0.668 392 H GLU 51 H GLU 51 7.920 -13.247 -0.521 393 HA GLU 51 HA GLU 51 8.586 -15.198 -2.316 394 1HB GLU 51 2HB GLU 51 8.722 -15.221 0.193 395 2HB GLU 51 3HB GLU 51 6.971 -15.454 0.258 396 1HG GLU 51 2HG GLU 51 7.280 -17.653 -0.934 397 2HG GLU 51 3HG GLU 51 9.033 -17.406 -0.806 398 H ILE 52 H ILE 52 5.294 -14.276 -1.259 399 HA ILE 52 HA ILE 52 4.161 -16.425 -3.008 400 HB ILE 52 HB ILE 52 2.216 -16.288 -1.350 401 1HG1 ILE 52 2HG1 ILE 52 4.392 -15.170 0.454 402 2HG1 ILE 52 3HG1 ILE 52 3.031 -14.217 -0.132 403 1HG2 ILE 52 1HG2 ILE 52 3.847 -18.174 -1.642 404 2HG2 ILE 52 2HG2 ILE 52 4.888 -17.423 -0.417 405 3HG2 ILE 52 3HG2 ILE 52 3.274 -18.022 0.012 406 1HD1 ILE 52 1HD1 ILE 52 2.878 -16.647 1.695 407 2HD1 ILE 52 2HD1 ILE 52 2.533 -14.968 2.097 408 3HD1 ILE 52 3HD1 ILE 52 1.464 -15.835 0.976 409 H ILE 53 H ILE 53 3.141 -13.255 -1.732 410 HA ILE 53 HA ILE 53 0.984 -13.362 -3.741 411 HB ILE 53 HB ILE 53 0.392 -12.897 -1.483 412 1HG1 ILE 53 2HG1 ILE 53 -0.111 -10.293 -2.929 413 2HG1 ILE 53 3HG1 ILE 53 -0.655 -11.802 -3.660 414 1HG2 ILE 53 1HG2 ILE 53 2.386 -11.639 -0.667 415 2HG2 ILE 53 2HG2 ILE 53 1.884 -10.242 -1.653 416 3HG2 ILE 53 3HG2 ILE 53 0.872 -10.803 -0.323 417 1HD1 ILE 53 1HD1 ILE 53 -1.921 -12.392 -1.622 418 2HD1 ILE 53 2HD1 ILE 53 -1.379 -10.881 -0.859 419 3HD1 ILE 53 3HD1 ILE 53 -2.444 -10.833 -2.283 420 H GLY 54 H GLY 54 3.547 -11.132 -2.797 421 1HA GLY 54 2HA GLY 54 5.111 -10.270 -4.255 422 2HA GLY 54 1HA GLY 54 4.074 -10.585 -5.647 423 HA PRO 55 HA PRO 55 4.074 -6.024 -4.126 424 1HB PRO 55 2HB PRO 55 5.549 -4.923 -6.212 425 2HB PRO 55 3HB PRO 55 6.247 -5.517 -4.687 426 1HG PRO 55 2HG PRO 55 6.074 -7.002 -7.304 427 2HG PRO 55 3HG PRO 55 7.478 -6.840 -6.209 428 1HD PRO 55 2HD PRO 55 5.927 -9.056 -6.130 429 2HD PRO 55 3HD PRO 55 6.502 -8.338 -4.605 430 H ARG 56 H ARG 56 3.843 -7.377 -7.423 431 HA ARG 56 HA ARG 56 2.506 -5.296 -8.689 432 1HB ARG 56 2HB ARG 56 2.250 -8.296 -9.172 433 2HB ARG 56 3HB ARG 56 1.630 -7.032 -10.249 434 1HG ARG 56 2HG ARG 56 3.929 -6.093 -10.468 435 2HG ARG 56 3HG ARG 56 4.557 -7.448 -9.503 436 1HD ARG 56 2HD ARG 56 3.642 -9.046 -11.164 437 2HD ARG 56 3HD ARG 56 3.014 -7.677 -12.121 438 HE ARG 56 HE ARG 56 5.788 -7.275 -11.704 439 1HH1 ARG 56 2HH2 ARG 56 3.628 -9.430 -13.451 440 2HH1 ARG 56 1HH2 ARG 56 4.735 -9.792 -14.739 441 1HH2 ARG 56 2HH1 ARG 56 7.313 -7.719 -13.395 442 2HH2 ARG 56 1HH1 ARG 56 6.893 -8.783 -14.696 443 H ASP 57 H ASP 57 0.987 -8.085 -7.003 444 HA ASP 57 HA ASP 57 -1.717 -7.528 -7.439 445 1HB ASP 57 2HB ASP 57 -1.042 -9.561 -6.332 446 2HB ASP 57 3HB ASP 57 -0.224 -8.672 -5.037 447 H ILE 58 H ILE 58 0.279 -6.471 -4.702 448 HA ILE 58 HA ILE 58 -1.674 -4.824 -3.467 449 HB ILE 58 HB ILE 58 1.340 -5.096 -3.303 450 1HG1 ILE 58 2HG1 ILE 58 -0.768 -5.811 -1.231 451 2HG1 ILE 58 3HG1 ILE 58 -0.452 -6.896 -2.577 452 1HG2 ILE 58 1HG2 ILE 58 1.300 -3.822 -1.191 453 2HG2 ILE 58 2HG2 ILE 58 0.910 -2.805 -2.578 454 3HG2 ILE 58 3HG2 ILE 58 -0.382 -3.354 -1.492 455 1HD1 ILE 58 1HD1 ILE 58 1.626 -6.016 -0.576 456 2HD1 ILE 58 2HD1 ILE 58 0.800 -7.589 -0.659 457 3HD1 ILE 58 3HD1 ILE 58 1.893 -7.092 -1.969 458 H ILE 59 H ILE 59 0.992 -3.900 -5.658 459 HA ILE 59 HA ILE 59 0.412 -1.114 -5.738 460 HB ILE 59 HB ILE 59 1.672 -3.094 -7.636 461 1HG1 ILE 59 2HG1 ILE 59 2.840 -0.717 -6.144 462 2HG1 ILE 59 3HG1 ILE 59 2.789 -2.363 -5.501 463 1HG2 ILE 59 1HG2 ILE 59 2.394 -1.330 -9.138 464 2HG2 ILE 59 2HG2 ILE 59 0.641 -1.361 -9.109 465 3HG2 ILE 59 3HG2 ILE 59 1.519 -0.122 -8.192 466 1HD1 ILE 59 1HD1 ILE 59 4.960 -2.022 -6.431 467 2HD1 ILE 59 2HD1 ILE 59 4.098 -3.157 -7.485 468 3HD1 ILE 59 3HD1 ILE 59 4.305 -1.457 -7.974 469 H HIS 60 H HIS 60 -0.751 -3.701 -7.968 470 HA HIS 60 HA HIS 60 -2.485 -1.998 -9.397 471 1HB HIS 60 2HB HIS 60 -2.556 -5.005 -9.062 472 2HB HIS 60 3HB HIS 60 -3.493 -4.086 -10.250 473 HD1 HIS 60 1HD HIS 60 -1.217 -2.061 -11.254 474 HD2 HIS 60 2HD HIS 60 -0.813 -6.221 -10.638 475 HE1 HIS 60 1HE HIS 60 0.779 -2.826 -12.639 476 H THR 61 H THR 61 -3.030 -3.800 -6.390 477 HA THR 61 HA THR 61 -5.857 -3.456 -6.283 478 HB THR 61 HB THR 61 -3.843 -3.548 -3.995 479 HG1 THR 61 1HG THR 61 -3.918 -5.399 -5.364 480 1HG2 THR 61 1HG2 THR 61 -6.860 -3.984 -4.008 481 2HG2 THR 61 2HG2 THR 61 -5.766 -4.277 -2.641 482 3HG2 THR 61 3HG2 THR 61 -6.018 -2.626 -3.224 483 H ILE 62 H ILE 62 -3.183 -1.307 -5.067 484 HA ILE 62 HA ILE 62 -5.163 0.587 -4.113 485 HB ILE 62 HB ILE 62 -2.190 0.989 -4.442 486 1HG1 ILE 62 2HG1 ILE 62 -3.753 0.222 -1.923 487 2HG1 ILE 62 3HG1 ILE 62 -3.004 -1.007 -2.949 488 1HG2 ILE 62 1HG2 ILE 62 -2.586 2.758 -2.688 489 2HG2 ILE 62 2HG2 ILE 62 -3.495 3.101 -4.144 490 3HG2 ILE 62 3HG2 ILE 62 -4.316 2.403 -2.743 491 1HD1 ILE 62 1HD1 ILE 62 -1.477 -0.516 -1.203 492 2HD1 ILE 62 2HD1 ILE 62 -0.852 0.064 -2.769 493 3HD1 ILE 62 3HD1 ILE 62 -1.512 1.222 -1.581 494 H GLU 63 H GLU 63 -3.150 0.328 -7.039 495 HA GLU 63 HA GLU 63 -3.803 2.669 -8.427 496 1HB GLU 63 2HB GLU 63 -2.255 0.727 -9.022 497 2HB GLU 63 3HB GLU 63 -3.702 -0.210 -9.406 498 1HG GLU 63 2HG GLU 63 -4.293 1.412 -11.124 499 2HG GLU 63 3HG GLU 63 -2.756 2.260 -10.861 500 H SER 64 H SER 64 -5.569 -0.444 -8.140 501 HA SER 64 HA SER 64 -7.856 0.382 -9.623 502 1HB SER 64 2HB SER 64 -7.212 -1.942 -9.318 503 2HB SER 64 3HB SER 64 -7.626 -1.867 -7.595 504 HG SER 64 HG SER 64 -9.436 -1.348 -9.725 505 H LEU 65 H LEU 65 -7.237 0.420 -6.074 506 HA LEU 65 HA LEU 65 -9.855 1.335 -5.325 507 1HB LEU 65 2HB LEU 65 -7.156 1.803 -3.999 508 2HB LEU 65 3HB LEU 65 -8.703 2.245 -3.284 509 HG LEU 65 HG LEU 65 -7.902 -0.612 -3.982 510 1HD1 LEU 65 1HD1 LEU 65 -7.634 -0.916 -1.577 511 2HD1 LEU 65 2HD1 LEU 65 -6.562 0.377 -2.130 512 3HD1 LEU 65 3HD1 LEU 65 -8.071 0.782 -1.282 513 1HD2 LEU 65 1HD2 LEU 65 -9.866 -1.190 -2.533 514 2HD2 LEU 65 2HD2 LEU 65 -10.327 0.525 -2.540 515 3HD2 LEU 65 3HD2 LEU 65 -10.321 -0.415 -4.049 516 H GLY 66 H GLY 66 -6.901 3.070 -6.284 517 1HA GLY 66 2HA GLY 66 -7.276 4.709 -8.027 518 2HA GLY 66 1HA GLY 66 -8.687 5.328 -7.169 519 H PHE 67 H PHE 67 -5.337 4.520 -6.113 520 HA PHE 67 HA PHE 67 -4.710 7.376 -5.872 521 1HB PHE 67 2HB PHE 67 -3.920 5.557 -3.611 522 2HB PHE 67 3HB PHE 67 -3.951 7.304 -3.636 523 HD1 PHE 67 1HD PHE 67 -5.841 4.258 -2.902 524 HD2 PHE 67 2HD PHE 67 -6.359 8.429 -3.741 525 HE1 PHE 67 1HE PHE 67 -7.935 4.269 -1.569 526 HE2 PHE 67 2HE PHE 67 -8.432 8.457 -2.397 527 HZ PHE 67 HZ PHE 67 -9.155 6.412 -1.197 528 H GLU 68 H GLU 68 -2.495 7.632 -6.396 529 HA GLU 68 HA GLU 68 -1.718 5.323 -7.905 530 1HB GLU 68 2HB GLU 68 -0.499 8.104 -7.976 531 2HB GLU 68 3HB GLU 68 -0.399 6.844 -9.220 532 1HG GLU 68 2HG GLU 68 -2.892 8.396 -8.378 533 2HG GLU 68 3HG GLU 68 -2.043 8.459 -9.919 534 HA PRO 69 HA PRO 69 1.441 4.343 -4.833 535 1HB PRO 69 2HB PRO 69 2.076 1.827 -5.607 536 2HB PRO 69 3HB PRO 69 0.498 2.212 -4.858 537 1HG PRO 69 2HG PRO 69 1.095 1.988 -7.811 538 2HG PRO 69 3HG PRO 69 -0.190 1.153 -6.871 539 1HD PRO 69 2HD PRO 69 -0.651 3.447 -8.250 540 2HD PRO 69 3HD PRO 69 -1.402 3.134 -6.659 541 H SER 70 H SER 70 2.687 6.111 -5.794 542 HA SER 70 HA SER 70 4.681 5.506 -7.852 543 1HB SER 70 2HB SER 70 4.769 7.511 -5.598 544 2HB SER 70 3HB SER 70 5.818 7.472 -7.023 545 HG SER 70 HG SER 70 2.977 7.668 -7.208 546 H LEU 71 H LEU 71 6.049 3.870 -7.458 547 HA LEU 71 HA LEU 71 7.040 3.046 -4.853 548 1HB LEU 71 2HB LEU 71 8.008 2.655 -7.706 549 2HB LEU 71 3HB LEU 71 8.970 2.090 -6.336 550 HG LEU 71 HG LEU 71 6.051 1.348 -6.517 551 1HD1 LEU 71 1HD1 LEU 71 6.734 -0.745 -7.709 552 2HD1 LEU 71 2HD1 LEU 71 7.020 0.699 -8.693 553 3HD1 LEU 71 3HD1 LEU 71 8.379 -0.100 -7.871 554 1HD2 LEU 71 1HD2 LEU 71 8.477 -0.046 -5.304 555 2HD2 LEU 71 2HD2 LEU 71 7.245 0.859 -4.400 556 3HD2 LEU 71 3HD2 LEU 71 6.801 -0.626 -5.248 557 H VAL 72 H VAL 72 8.822 3.733 -3.783 558 HA VAL 72 HA VAL 72 10.041 6.309 -4.753 559 HB VAL 72 HB VAL 72 9.337 5.528 -1.890 560 1HG1 VAL 72 1HG1 VAL 72 10.448 8.093 -3.084 561 2HG1 VAL 72 2HG1 VAL 72 9.978 7.871 -1.390 562 3HG1 VAL 72 3HG1 VAL 72 11.375 7.006 -2.028 563 1HG2 VAL 72 1HG2 VAL 72 8.090 7.391 -3.953 564 2HG2 VAL 72 2HG2 VAL 72 7.314 6.092 -3.010 565 3HG2 VAL 72 3HG2 VAL 72 7.844 7.584 -2.217 566 H LYS 73 H LYS 73 11.096 4.531 -1.908 567 HA LYS 73 HA LYS 73 13.114 3.723 -1.346 568 1HB LYS 73 2HB LYS 73 12.969 2.428 -3.544 569 2HB LYS 73 3HB LYS 73 14.051 3.657 -4.233 570 1HG LYS 73 2HG LYS 73 15.682 3.182 -2.393 571 2HG LYS 73 3HG LYS 73 14.655 1.839 -1.868 572 1HD LYS 73 2HD LYS 73 15.877 2.185 -4.647 573 2HD LYS 73 3HD LYS 73 16.542 1.156 -3.361 574 1HE LYS 73 2HE LYS 73 14.398 -0.181 -3.381 575 2HE LYS 73 3HE LYS 73 13.832 0.792 -4.751 576 1HZ LYS 73 1HZ LYS 73 15.688 0.010 -6.025 577 2HZ LYS 73 2HZ LYS 73 16.220 -0.918 -4.770 578 3HZ LYS 73 3HZ LYS 73 14.776 -1.245 -5.483 579 H ILE 74 H ILE 74 13.382 6.034 -4.097 580 HA ILE 74 HA ILE 74 14.208 8.084 -2.204 581 HB ILE 74 HB ILE 74 15.850 9.073 -3.596 582 1HG1 ILE 74 2HG1 ILE 74 15.141 8.595 -5.832 583 2HG1 ILE 74 3HG1 ILE 74 16.818 8.131 -5.597 584 1HG2 ILE 74 1HG2 ILE 74 17.710 7.525 -3.409 585 2HG2 ILE 74 2HG2 ILE 74 16.654 7.433 -1.991 586 3HG2 ILE 74 3HG2 ILE 74 16.604 6.153 -3.216 587 1HD1 ILE 74 1HD1 ILE 74 14.432 6.261 -5.848 588 2HD1 ILE 74 2HD1 ILE 74 15.781 6.472 -6.960 589 3HD1 ILE 74 3HD1 ILE 74 16.065 5.716 -5.386 590 H GLU 75 H GLU 75 13.826 10.276 -3.388 591 HA GLU 75 HA GLU 75 11.686 10.153 -5.420 592 1HB GLU 75 2HB GLU 75 12.152 12.259 -3.270 593 2HB GLU 75 3HB GLU 75 11.013 12.398 -4.609 594 1HG GLU 75 2HG GLU 75 10.735 10.211 -2.506 595 2HG GLU 75 3HG GLU 75 10.116 11.835 -2.262 Start of MODEL 13 1 1H MET 1 H1 MET 1 12.398 -14.085 0.396 2 2H MET 1 H2 MET 1 13.539 -13.904 -0.635 3 3H MET 1 H3 MET 1 13.889 -14.643 0.847 4 HA MET 1 HA MET 1 14.627 -12.497 1.319 5 1HB MET 1 2HB MET 1 12.297 -11.473 -0.361 6 2HB MET 1 3HB MET 1 13.422 -10.481 0.567 7 1HG MET 1 2HG MET 1 15.316 -11.372 -0.780 8 2HG MET 1 3HG MET 1 14.164 -12.277 -1.777 9 1HE MET 1 1HE MET 1 15.357 -9.544 -4.240 10 2HE MET 1 2HE MET 1 16.327 -10.395 -3.015 11 3HE MET 1 3HE MET 1 15.113 -11.285 -3.970 12 H GLY 2 H GLY 2 11.012 -12.945 1.148 13 1HA GLY 2 2HA GLY 2 9.500 -13.091 2.869 14 2HA GLY 2 1HA GLY 2 10.822 -13.145 4.047 15 H ASP 3 H ASP 3 9.389 -11.737 5.324 16 HA ASP 3 HA ASP 3 7.981 -9.668 5.037 17 1HB ASP 3 2HB ASP 3 10.210 -9.835 7.084 18 2HB ASP 3 3HB ASP 3 8.773 -8.809 7.212 19 H GLY 4 H GLY 4 8.320 -8.420 3.212 20 1HA GLY 4 2HA GLY 4 10.512 -6.429 3.140 21 2HA GLY 4 1HA GLY 4 9.237 -6.693 1.939 22 H VAL 5 H VAL 5 10.215 -4.504 4.145 23 HA VAL 5 HA VAL 5 7.500 -3.507 4.843 24 HB VAL 5 HB VAL 5 10.231 -2.392 5.574 25 1HG1 VAL 5 1HG1 VAL 5 8.915 -1.088 7.228 26 2HG1 VAL 5 2HG1 VAL 5 8.408 -0.695 5.581 27 3HG1 VAL 5 3HG1 VAL 5 7.410 -1.771 6.581 28 1HG2 VAL 5 1HG2 VAL 5 9.935 -4.571 6.652 29 2HG2 VAL 5 2HG2 VAL 5 9.666 -3.297 7.848 30 3HG2 VAL 5 3HG2 VAL 5 8.281 -4.145 7.129 31 H LEU 6 H LEU 6 6.920 -3.269 2.597 32 HA LEU 6 HA LEU 6 8.686 -1.698 0.819 33 1HB LEU 6 2HB LEU 6 7.588 -3.756 0.103 34 2HB LEU 6 3HB LEU 6 5.993 -3.036 0.301 35 HG LEU 6 HG LEU 6 8.106 -1.829 -1.544 36 1HD1 LEU 6 1HD1 LEU 6 6.031 -3.946 -2.238 37 2HD1 LEU 6 2HD1 LEU 6 7.095 -3.108 -3.388 38 3HD1 LEU 6 3HD1 LEU 6 7.791 -4.195 -2.178 39 1HD2 LEU 6 1HD2 LEU 6 5.049 -1.696 -1.505 40 2HD2 LEU 6 2HD2 LEU 6 6.160 -0.352 -1.188 41 3HD2 LEU 6 3HD2 LEU 6 6.072 -1.042 -2.800 42 H GLU 7 H GLU 7 8.570 0.532 0.946 43 HA GLU 7 HA GLU 7 6.016 1.809 1.713 44 1HB GLU 7 2HB GLU 7 8.658 3.148 1.111 45 2HB GLU 7 3HB GLU 7 7.157 3.848 1.745 46 1HG GLU 7 2HG GLU 7 7.465 2.063 3.663 47 2HG GLU 7 3HG GLU 7 9.159 2.112 3.145 48 H LEU 8 H LEU 8 4.653 2.724 0.341 49 HA LEU 8 HA LEU 8 5.654 3.691 -2.260 50 1HB LEU 8 2HB LEU 8 3.423 2.991 -3.313 51 2HB LEU 8 3HB LEU 8 4.691 1.809 -3.099 52 HG LEU 8 HG LEU 8 3.511 1.013 -0.965 53 1HD1 LEU 8 1HD1 LEU 8 1.899 2.826 -0.638 54 2HD1 LEU 8 2HD1 LEU 8 1.272 2.596 -2.295 55 3HD1 LEU 8 3HD1 LEU 8 1.020 1.359 -1.058 56 1HD2 LEU 8 1HD2 LEU 8 2.171 0.669 -3.657 57 2HD2 LEU 8 2HD2 LEU 8 3.605 -0.216 -3.099 58 3HD2 LEU 8 3HD2 LEU 8 2.055 -0.429 -2.267 59 H VAL 9 H VAL 9 5.056 5.769 -2.685 60 HA VAL 9 HA VAL 9 3.606 7.145 -0.552 61 HB VAL 9 HB VAL 9 5.440 8.001 -2.660 62 1HG1 VAL 9 1HG1 VAL 9 3.442 8.834 -3.852 63 2HG1 VAL 9 2HG1 VAL 9 2.887 9.642 -2.363 64 3HG1 VAL 9 3HG1 VAL 9 4.382 10.159 -3.161 65 1HG2 VAL 9 1HG2 VAL 9 5.631 8.416 -0.184 66 2HG2 VAL 9 2HG2 VAL 9 5.697 9.907 -1.145 67 3HG2 VAL 9 3HG2 VAL 9 4.205 9.478 -0.290 68 H VAL 10 H VAL 10 1.457 7.782 -0.808 69 HA VAL 10 HA VAL 10 0.084 6.645 -3.196 70 HB VAL 10 HB VAL 10 -1.342 6.601 -0.568 71 1HG1 VAL 10 1HG1 VAL 10 -2.457 4.754 -1.741 72 2HG1 VAL 10 2HG1 VAL 10 -2.343 6.158 -2.831 73 3HG1 VAL 10 3HG1 VAL 10 -1.215 4.798 -3.019 74 1HG2 VAL 10 1HG2 VAL 10 0.670 5.401 0.047 75 2HG2 VAL 10 2HG2 VAL 10 -0.563 4.197 -0.344 76 3HG2 VAL 10 3HG2 VAL 10 0.705 4.594 -1.532 77 H ARG 11 H ARG 11 0.291 8.630 -4.155 78 HA ARG 11 HA ARG 11 -0.792 11.057 -2.880 79 1HB ARG 11 2HB ARG 11 1.076 11.268 -4.360 80 2HB ARG 11 3HB ARG 11 0.266 10.410 -5.652 81 1HG ARG 11 2HG ARG 11 -1.317 12.756 -4.834 82 2HG ARG 11 3HG ARG 11 0.356 13.206 -5.177 83 1HD ARG 11 2HD ARG 11 0.305 12.166 -7.343 84 2HD ARG 11 3HD ARG 11 -1.314 11.489 -7.061 85 HE ARG 11 HE ARG 11 -1.478 14.293 -6.750 86 1HH1 ARG 11 2HH2 ARG 11 -0.777 11.933 -9.316 87 2HH1 ARG 11 1HH2 ARG 11 -1.480 12.871 -10.587 88 1HH2 ARG 11 2HH1 ARG 11 -2.401 15.579 -8.443 89 2HH2 ARG 11 1HH1 ARG 11 -2.400 15.004 -10.079 90 H GLY 12 H GLY 12 -2.853 11.950 -3.408 91 1HA GLY 12 2HA GLY 12 -4.935 11.911 -4.622 92 2HA GLY 12 1HA GLY 12 -4.769 10.178 -4.907 93 H MET 13 H MET 13 -3.845 9.558 -2.137 94 HA MET 13 HA MET 13 -6.341 9.427 -0.714 95 1HB MET 13 2HB MET 13 -4.861 7.851 0.070 96 2HB MET 13 3HB MET 13 -3.460 8.913 -0.077 97 1HG MET 13 2HG MET 13 -4.012 10.131 1.905 98 2HG MET 13 3HG MET 13 -5.605 9.381 2.018 99 1HE MET 13 1HE MET 13 -2.293 7.328 1.257 100 2HE MET 13 2HE MET 13 -1.822 8.835 2.065 101 3HE MET 13 3HE MET 13 -1.611 7.281 2.894 102 H THR 14 H THR 14 -7.274 10.879 0.582 103 HA THR 14 HA THR 14 -5.894 13.235 1.618 104 HB THR 14 HB THR 14 -6.306 13.979 -0.614 105 HG1 THR 14 1HG THR 14 -7.527 15.791 -0.107 106 1HG2 THR 14 1HG2 THR 14 -8.426 14.134 -1.698 107 2HG2 THR 14 2HG2 THR 14 -8.249 12.448 -1.208 108 3HG2 THR 14 3HG2 THR 14 -9.304 13.547 -0.285 109 H CYS 15 H CYS 15 -9.224 11.905 1.023 110 HA CYS 15 HA CYS 15 -10.260 12.980 3.479 111 1HB CYS 15 2HB CYS 15 -11.747 12.361 1.602 112 2HB CYS 15 3HB CYS 15 -11.248 10.658 1.767 113 HG CYS 15 HG CYS 15 -13.553 10.740 2.834 114 H ALA 16 H ALA 16 -10.407 12.041 5.531 115 HA ALA 16 HA ALA 16 -8.651 10.263 6.622 116 1HB ALA 16 1HB ALA 16 -10.367 9.794 8.344 117 2HB ALA 16 2HB ALA 16 -10.304 11.529 7.945 118 3HB ALA 16 3HB ALA 16 -11.616 10.502 7.306 119 H SER 17 H SER 17 -11.839 9.341 5.203 120 HA SER 17 HA SER 17 -11.958 6.666 5.714 121 1HB SER 17 2HB SER 17 -12.611 7.929 3.022 122 2HB SER 17 3HB SER 17 -13.415 6.553 3.804 123 HG SER 17 HG SER 17 -14.081 8.029 5.455 124 H CYS 18 H CYS 18 -9.969 8.254 3.185 125 HA CYS 18 HA CYS 18 -9.243 6.100 1.575 126 1HB CYS 18 2HB CYS 18 -7.534 8.425 2.514 127 2HB CYS 18 3HB CYS 18 -7.160 7.380 1.135 128 HG CYS 18 HG CYS 18 -9.116 7.942 -0.327 129 H VAL 19 H VAL 19 -7.969 7.059 4.784 130 HA VAL 19 HA VAL 19 -5.649 5.436 4.815 131 HB VAL 19 HB VAL 19 -7.466 6.331 7.098 132 1HG1 VAL 19 1HG1 VAL 19 -5.929 4.486 7.792 133 2HG1 VAL 19 2HG1 VAL 19 -4.558 5.469 7.230 134 3HG1 VAL 19 3HG1 VAL 19 -5.566 6.031 8.568 135 1HG2 VAL 19 1HG2 VAL 19 -5.823 8.145 7.382 136 2HG2 VAL 19 2HG2 VAL 19 -4.917 7.578 5.963 137 3HG2 VAL 19 3HG2 VAL 19 -6.550 8.246 5.775 138 H HIS 20 H HIS 20 -8.961 4.720 6.219 139 HA HIS 20 HA HIS 20 -8.119 2.018 6.772 140 1HB HIS 20 2HB HIS 20 -9.797 2.057 8.159 141 2HB HIS 20 3HB HIS 20 -10.157 3.707 7.684 142 HD1 HIS 20 1HD HIS 20 -11.978 0.739 8.228 143 HD2 HIS 20 2HD HIS 20 -11.701 3.433 5.024 144 HE1 HIS 20 1HE HIS 20 -14.133 0.534 6.897 145 H LYS 21 H LYS 21 -9.681 3.659 4.070 146 HA LYS 21 HA LYS 21 -10.769 1.466 2.686 147 1HB LYS 21 2HB LYS 21 -10.598 4.122 2.228 148 2HB LYS 21 3HB LYS 21 -9.322 3.631 1.133 149 1HG LYS 21 2HG LYS 21 -12.224 2.674 1.104 150 2HG LYS 21 3HG LYS 21 -11.573 4.018 0.163 151 1HD LYS 21 2HD LYS 21 -9.904 2.320 -0.841 152 2HD LYS 21 3HD LYS 21 -10.913 1.078 -0.097 153 1HE LYS 21 2HE LYS 21 -11.916 1.156 -2.202 154 2HE LYS 21 3HE LYS 21 -12.909 2.301 -1.324 155 1HZ LYS 21 1HZ LYS 21 -12.346 3.226 -3.392 156 2HZ LYS 21 2HZ LYS 21 -11.458 4.068 -2.306 157 3HZ LYS 21 3HZ LYS 21 -10.760 2.950 -3.293 158 H ILE 22 H ILE 22 -7.507 2.861 2.704 159 HA ILE 22 HA ILE 22 -6.366 1.018 0.776 160 HB ILE 22 HB ILE 22 -5.255 3.123 2.630 161 1HG1 ILE 22 2HG1 ILE 22 -5.201 2.948 -0.384 162 2HG1 ILE 22 3HG1 ILE 22 -6.574 3.648 0.501 163 1HG2 ILE 22 1HG2 ILE 22 -3.485 1.432 2.421 164 2HG2 ILE 22 2HG2 ILE 22 -3.802 1.273 0.674 165 3HG2 ILE 22 3HG2 ILE 22 -3.061 2.742 1.319 166 1HD1 ILE 22 1HD1 ILE 22 -5.108 5.375 1.462 167 2HD1 ILE 22 2HD1 ILE 22 -3.735 4.736 0.520 168 3HD1 ILE 22 3HD1 ILE 22 -5.138 5.419 -0.304 169 H GLU 23 H GLU 23 -6.051 1.453 4.352 170 HA GLU 23 HA GLU 23 -4.388 -0.737 4.812 171 1HB GLU 23 2HB GLU 23 -5.655 1.094 6.441 172 2HB GLU 23 3HB GLU 23 -6.568 -0.349 6.840 173 1HG GLU 23 2HG GLU 23 -3.568 0.077 7.064 174 2HG GLU 23 3HG GLU 23 -4.721 -0.125 8.376 175 H SER 24 H SER 24 -7.957 -0.668 4.951 176 HA SER 24 HA SER 24 -8.260 -3.432 5.590 177 1HB SER 24 2HB SER 24 -10.285 -1.629 4.177 178 2HB SER 24 3HB SER 24 -10.631 -3.108 5.082 179 HG SER 24 HG SER 24 -9.664 -0.639 6.047 180 H SER 25 H SER 25 -8.464 -1.659 2.473 181 HA SER 25 HA SER 25 -9.089 -3.985 0.924 182 1HB SER 25 2HB SER 25 -9.504 -1.609 0.295 183 2HB SER 25 3HB SER 25 -7.764 -1.421 0.023 184 HG SER 25 HG SER 25 -7.975 -3.301 -1.424 185 H LEU 26 H LEU 26 -6.045 -2.690 2.163 186 HA LEU 26 HA LEU 26 -4.461 -4.412 0.391 187 1HB LEU 26 2HB LEU 26 -3.724 -2.559 2.608 188 2HB LEU 26 3HB LEU 26 -2.581 -3.739 1.964 189 HG LEU 26 HG LEU 26 -4.114 -1.875 0.145 190 1HD1 LEU 26 1HD1 LEU 26 -2.106 -0.475 0.114 191 2HD1 LEU 26 2HD1 LEU 26 -2.760 -0.630 1.758 192 3HD1 LEU 26 3HD1 LEU 26 -1.326 -1.578 1.279 193 1HD2 LEU 26 1HD2 LEU 26 -1.576 -3.497 -0.282 194 2HD2 LEU 26 2HD2 LEU 26 -3.130 -3.804 -1.085 195 3HD2 LEU 26 3HD2 LEU 26 -2.277 -2.316 -1.421 196 H THR 27 H THR 27 -4.988 -4.384 4.005 197 HA THR 27 HA THR 27 -3.457 -6.674 4.378 198 HB THR 27 HB THR 27 -4.857 -6.802 6.583 199 HG1 THR 27 1HG THR 27 -5.536 -4.206 6.436 200 1HG2 THR 27 1HG2 THR 27 -3.581 -4.906 7.484 201 2HG2 THR 27 2HG2 THR 27 -2.580 -5.884 6.403 202 3HG2 THR 27 3HG2 THR 27 -3.236 -4.330 5.838 203 H LYS 28 H LYS 28 -6.818 -6.521 3.393 204 HA LYS 28 HA LYS 28 -7.460 -9.218 3.863 205 1HB LYS 28 2HB LYS 28 -9.266 -8.916 2.365 206 2HB LYS 28 3HB LYS 28 -8.960 -7.454 3.318 207 1HG LYS 28 2HG LYS 28 -9.475 -6.547 1.324 208 2HG LYS 28 3HG LYS 28 -7.713 -6.544 1.263 209 1HD LYS 28 2HD LYS 28 -7.703 -8.409 -0.287 210 2HD LYS 28 3HD LYS 28 -9.409 -8.760 0.008 211 1HE LYS 28 2HE LYS 28 -10.182 -6.866 -1.163 212 2HE LYS 28 3HE LYS 28 -8.631 -6.031 -1.071 213 1HZ LYS 28 1HZ LYS 28 -9.123 -6.886 -3.260 214 2HZ LYS 28 2HZ LYS 28 -7.706 -7.426 -2.662 215 3HZ LYS 28 3HZ LYS 28 -9.019 -8.436 -2.708 216 H HIS 29 H HIS 29 -5.350 -7.913 1.368 217 HA HIS 29 HA HIS 29 -4.999 -10.473 -0.048 218 1HB HIS 29 2HB HIS 29 -3.313 -7.927 -0.001 219 2HB HIS 29 3HB HIS 29 -2.977 -9.380 -0.932 220 HD1 HIS 29 1HD HIS 29 -3.606 -9.011 -3.444 221 HD2 HIS 29 2HD HIS 29 -5.887 -6.848 -0.641 222 HE1 HIS 29 1HE HIS 29 -5.305 -7.713 -4.756 223 H ARG 30 H ARG 30 -4.942 -11.466 2.153 224 HA ARG 30 HA ARG 30 -3.689 -11.632 4.261 225 1HB ARG 30 2HB ARG 30 -4.658 -13.579 3.102 226 2HB ARG 30 3HB ARG 30 -3.113 -13.869 2.288 227 1HG ARG 30 2HG ARG 30 -2.002 -14.253 4.456 228 2HG ARG 30 3HG ARG 30 -3.491 -13.854 5.326 229 1HD ARG 30 2HD ARG 30 -3.134 -16.155 3.357 230 2HD ARG 30 3HD ARG 30 -3.077 -16.302 5.131 231 HE ARG 30 HE ARG 30 -5.501 -15.046 4.566 232 1HH1 ARG 30 2HH2 ARG 30 -3.994 -18.146 3.867 233 2HH1 ARG 30 1HH2 ARG 30 -5.478 -19.036 3.719 234 1HH2 ARG 30 2HH1 ARG 30 -7.511 -16.178 4.381 235 2HH2 ARG 30 1HH1 ARG 30 -7.534 -17.876 4.036 236 H GLY 31 H GLY 31 -1.491 -12.018 1.466 237 1HA GLY 31 2HA GLY 31 0.973 -12.399 2.719 238 2HA GLY 31 1HA GLY 31 0.714 -11.507 1.210 239 H ILE 32 H ILE 32 -0.720 -9.241 2.106 240 HA ILE 32 HA ILE 32 1.307 -7.752 3.609 241 HB ILE 32 HB ILE 32 0.496 -6.389 1.928 242 1HG1 ILE 32 2HG1 ILE 32 -0.720 -4.605 2.808 243 2HG1 ILE 32 3HG1 ILE 32 -1.521 -5.585 4.040 244 1HG2 ILE 32 1HG2 ILE 32 -1.183 -7.632 0.946 245 2HG2 ILE 32 2HG2 ILE 32 -2.256 -7.415 2.369 246 3HG2 ILE 32 3HG2 ILE 32 -1.820 -6.027 1.330 247 1HD1 ILE 32 1HD1 ILE 32 1.509 -5.332 3.917 248 2HD1 ILE 32 2HD1 ILE 32 0.504 -4.062 4.659 249 3HD1 ILE 32 3HD1 ILE 32 0.481 -5.726 5.283 250 H LEU 33 H LEU 33 1.431 -8.360 5.658 251 HA LEU 33 HA LEU 33 -0.959 -9.304 7.085 252 1HB LEU 33 2HB LEU 33 0.551 -9.737 8.937 253 2HB LEU 33 3HB LEU 33 1.023 -10.548 7.452 254 HG LEU 33 HG LEU 33 2.379 -7.928 7.785 255 1HD1 LEU 33 1HD1 LEU 33 2.210 -8.490 10.162 256 2HD1 LEU 33 2HD1 LEU 33 2.893 -10.102 9.842 257 3HD1 LEU 33 3HD1 LEU 33 3.878 -8.647 9.583 258 1HD2 LEU 33 1HD2 LEU 33 3.466 -10.758 7.473 259 2HD2 LEU 33 2HD2 LEU 33 3.013 -9.703 6.123 260 3HD2 LEU 33 3HD2 LEU 33 4.344 -9.241 7.198 261 H TYR 34 H TYR 34 1.067 -6.407 7.034 262 HA TYR 34 HA TYR 34 -0.864 -4.955 8.767 263 1HB TYR 34 2HB TYR 34 0.920 -5.945 10.227 264 2HB TYR 34 3HB TYR 34 2.136 -5.249 9.219 265 HD1 TYR 34 HD1 TYR 34 -0.569 -4.346 11.625 266 HD2 TYR 34 HD2 TYR 34 2.736 -2.935 9.260 267 HE1 TYR 34 HE1 TYR 34 -0.648 -2.152 12.793 268 HE2 TYR 34 HE2 TYR 34 2.779 -0.835 10.552 269 HH TYR 34 HH TYR 34 1.229 0.571 11.628 270 H CYS 35 H CYS 35 -1.359 -3.023 7.580 271 HA CYS 35 HA CYS 35 0.855 -1.918 5.914 272 1HB CYS 35 2HB CYS 35 -1.618 -2.363 5.024 273 2HB CYS 35 3HB CYS 35 -1.960 -0.859 5.882 274 HG CYS 35 HG CYS 35 -1.533 -0.777 3.258 275 H SER 36 H SER 36 1.061 0.487 6.108 276 HA SER 36 HA SER 36 -0.471 1.758 8.276 277 1HB SER 36 2HB SER 36 2.557 1.789 8.282 278 2HB SER 36 3HB SER 36 1.569 2.994 9.130 279 HG SER 36 HG SER 36 0.867 0.353 9.551 280 H VAL 37 H VAL 37 -1.289 2.079 5.936 281 HA VAL 37 HA VAL 37 -0.308 4.299 4.526 282 HB VAL 37 HB VAL 37 -1.963 2.751 3.730 283 1HG1 VAL 37 1HG1 VAL 37 -4.171 2.654 4.507 284 2HG1 VAL 37 2HG1 VAL 37 -3.175 2.385 5.927 285 3HG1 VAL 37 3HG1 VAL 37 -3.925 3.972 5.672 286 1HG2 VAL 37 1HG2 VAL 37 -1.874 4.989 2.771 287 2HG2 VAL 37 2HG2 VAL 37 -3.538 4.399 2.839 288 3HG2 VAL 37 3HG2 VAL 37 -3.006 5.585 4.025 289 H ALA 38 H ALA 38 -0.434 6.484 4.854 290 HA ALA 38 HA ALA 38 -2.197 7.616 6.901 291 1HB ALA 38 1HB ALA 38 0.820 7.928 7.034 292 2HB ALA 38 2HB ALA 38 -0.367 8.887 7.951 293 3HB ALA 38 3HB ALA 38 -0.211 7.135 8.255 294 H LEU 39 H LEU 39 -2.824 9.600 6.370 295 HA LEU 39 HA LEU 39 -2.166 10.614 3.738 296 1HB LEU 39 2HB LEU 39 -3.790 12.295 4.090 297 2HB LEU 39 3HB LEU 39 -4.461 10.721 4.481 298 HG LEU 39 HG LEU 39 -3.380 12.310 6.810 299 1HD1 LEU 39 1HD1 LEU 39 -4.452 14.068 5.467 300 2HD1 LEU 39 2HD1 LEU 39 -5.929 13.086 5.362 301 3HD1 LEU 39 3HD1 LEU 39 -5.381 13.709 6.931 302 1HD2 LEU 39 1HD2 LEU 39 -5.429 11.458 7.881 303 2HD2 LEU 39 2HD2 LEU 39 -5.955 10.745 6.344 304 3HD2 LEU 39 3HD2 LEU 39 -4.508 10.129 7.171 305 H ALA 40 H ALA 40 -1.183 11.448 7.053 306 HA ALA 40 HA ALA 40 -0.444 14.141 6.567 307 1HB ALA 40 1HB ALA 40 0.839 13.907 8.660 308 2HB ALA 40 2HB ALA 40 -0.774 13.186 8.819 309 3HB ALA 40 3HB ALA 40 0.650 12.143 8.599 310 H THR 41 H THR 41 1.172 11.088 5.983 311 HA THR 41 HA THR 41 3.559 12.489 4.839 312 HB THR 41 HB THR 41 4.091 11.211 6.780 313 HG1 THR 41 1HG THR 41 4.884 10.368 4.258 314 1HG2 THR 41 1HG2 THR 41 2.470 8.986 5.558 315 2HG2 THR 41 2HG2 THR 41 3.777 8.668 6.728 316 3HG2 THR 41 3HG2 THR 41 2.415 9.693 7.181 317 H ASN 42 H ASN 42 0.677 11.341 3.936 318 HA ASN 42 HA ASN 42 -0.249 10.378 2.207 319 1HB ASN 42 2HB ASN 42 1.278 12.657 1.438 320 2HB ASN 42 3HB ASN 42 1.338 11.563 0.070 321 1HD2 ASN 42 1HD2 ASN 42 -1.087 10.403 -0.304 322 2HD2 ASN 42 2HD2 ASN 42 -2.370 11.596 -0.191 323 H LYS 43 H LYS 43 1.156 8.431 3.255 324 HA LYS 43 HA LYS 43 2.139 6.919 0.925 325 1HB LYS 43 2HB LYS 43 4.190 6.184 2.045 326 2HB LYS 43 3HB LYS 43 4.235 7.934 1.818 327 1HG LYS 43 2HG LYS 43 3.991 8.384 4.045 328 2HG LYS 43 3HG LYS 43 3.127 6.904 4.439 329 1HD LYS 43 2HD LYS 43 5.253 6.833 5.487 330 2HD LYS 43 3HD LYS 43 5.192 5.582 4.237 331 1HE LYS 43 2HE LYS 43 6.538 6.954 2.730 332 2HE LYS 43 3HE LYS 43 6.487 8.337 3.826 333 1HZ LYS 43 1HZ LYS 43 8.425 6.425 3.809 334 2HZ LYS 43 2HZ LYS 43 8.090 7.380 5.140 335 3HZ LYS 43 3HZ LYS 43 7.500 5.847 4.926 336 H ALA 44 H ALA 44 2.545 4.633 1.427 337 HA ALA 44 HA ALA 44 1.570 3.746 4.037 338 1HB ALA 44 1HB ALA 44 0.878 2.310 1.420 339 2HB ALA 44 2HB ALA 44 0.334 1.893 3.055 340 3HB ALA 44 3HB ALA 44 -0.271 3.359 2.256 341 H HIS 45 H HIS 45 2.889 2.429 4.978 342 HA HIS 45 HA HIS 45 4.924 1.027 3.331 343 1HB HIS 45 2HB HIS 45 6.266 0.647 5.071 344 2HB HIS 45 3HB HIS 45 5.737 2.299 5.373 345 HD1 HIS 45 1HD HIS 45 5.479 2.539 7.920 346 HD2 HIS 45 2HD HIS 45 4.666 -1.302 6.443 347 HE1 HIS 45 1HE HIS 45 5.096 1.055 9.956 348 H ILE 46 H ILE 46 4.688 -1.061 2.986 349 HA ILE 46 HA ILE 46 2.309 -2.522 4.055 350 HB ILE 46 HB ILE 46 3.975 -2.598 1.567 351 1HG1 ILE 46 2HG1 ILE 46 1.806 -2.344 0.326 352 2HG1 ILE 46 3HG1 ILE 46 0.948 -2.239 1.865 353 1HG2 ILE 46 1HG2 ILE 46 2.898 -4.438 0.619 354 2HG2 ILE 46 2HG2 ILE 46 3.443 -4.950 2.210 355 3HG2 ILE 46 3HG2 ILE 46 1.729 -4.530 1.934 356 1HD1 ILE 46 1HD1 ILE 46 1.345 -0.083 0.632 357 2HD1 ILE 46 2HD1 ILE 46 1.898 -0.065 2.299 358 3HD1 ILE 46 3HD1 ILE 46 3.080 -0.252 0.976 359 H LYS 47 H LYS 47 2.889 -4.005 5.471 360 HA LYS 47 HA LYS 47 5.601 -5.284 5.476 361 1HB LYS 47 2HB LYS 47 3.404 -5.588 7.498 362 2HB LYS 47 3HB LYS 47 4.974 -6.386 7.481 363 1HG LYS 47 2HG LYS 47 6.022 -4.038 7.417 364 2HG LYS 47 3HG LYS 47 4.415 -3.423 7.830 365 1HD LYS 47 2HD LYS 47 4.433 -4.907 9.884 366 2HD LYS 47 3HD LYS 47 5.987 -5.558 9.374 367 1HE LYS 47 2HE LYS 47 6.442 -3.997 11.105 368 2HE LYS 47 3HE LYS 47 7.034 -3.302 9.590 369 1HZ LYS 47 1HZ LYS 47 4.464 -2.613 10.876 370 2HZ LYS 47 2HZ LYS 47 5.841 -1.728 10.983 371 3HZ LYS 47 3HZ LYS 47 5.091 -1.878 9.539 372 H TYR 48 H TYR 48 5.553 -6.664 3.722 373 HA TYR 48 HA TYR 48 3.597 -8.848 3.890 374 1HB TYR 48 2HB TYR 48 2.934 -8.780 1.672 375 2HB TYR 48 3HB TYR 48 2.813 -7.104 2.173 376 HD1 TYR 48 HD1 TYR 48 5.960 -6.516 1.777 377 HD2 TYR 48 HD2 TYR 48 2.788 -8.149 -0.617 378 HE1 TYR 48 HE1 TYR 48 7.300 -6.136 -0.247 379 HE2 TYR 48 HE2 TYR 48 4.073 -7.665 -2.655 380 HH TYR 48 HH TYR 48 6.064 -6.918 -3.508 381 H ASP 49 H ASP 49 4.205 -10.815 2.681 382 HA ASP 49 HA ASP 49 7.132 -11.138 2.410 383 1HB ASP 49 2HB ASP 49 5.998 -13.001 3.395 384 2HB ASP 49 3HB ASP 49 4.787 -13.021 2.107 385 HA PRO 50 HA PRO 50 6.212 -9.685 -1.823 386 1HB PRO 50 2HB PRO 50 8.709 -9.982 -2.942 387 2HB PRO 50 3HB PRO 50 8.256 -8.624 -1.875 388 1HG PRO 50 2HG PRO 50 9.732 -11.147 -1.108 389 2HG PRO 50 3HG PRO 50 10.125 -9.464 -0.666 390 1HD PRO 50 2HD PRO 50 8.784 -11.174 0.964 391 2HD PRO 50 3HD PRO 50 8.406 -9.424 0.963 392 H GLU 51 H GLU 51 7.753 -12.828 -0.969 393 HA GLU 51 HA GLU 51 7.758 -13.671 -3.799 394 1HB GLU 51 2HB GLU 51 8.874 -14.800 -1.221 395 2HB GLU 51 3HB GLU 51 9.058 -15.614 -2.777 396 1HG GLU 51 2HG GLU 51 10.553 -14.082 -3.625 397 2HG GLU 51 3HG GLU 51 9.894 -12.728 -2.715 398 H ILE 52 H ILE 52 5.245 -13.363 -2.426 399 HA ILE 52 HA ILE 52 4.120 -16.013 -3.152 400 HB ILE 52 HB ILE 52 2.446 -15.843 -1.312 401 1HG1 ILE 52 2HG1 ILE 52 4.282 -13.751 -0.130 402 2HG1 ILE 52 3HG1 ILE 52 2.585 -13.581 -0.620 403 1HG2 ILE 52 1HG2 ILE 52 4.462 -17.371 -1.319 404 2HG2 ILE 52 2HG2 ILE 52 5.308 -16.172 -0.321 405 3HG2 ILE 52 3HG2 ILE 52 3.859 -16.994 0.293 406 1HD1 ILE 52 1HD1 ILE 52 2.580 -13.780 1.734 407 2HD1 ILE 52 2HD1 ILE 52 1.909 -15.275 1.066 408 3HD1 ILE 52 3HD1 ILE 52 3.575 -15.239 1.701 409 H ILE 53 H ILE 53 3.374 -12.681 -2.302 410 HA ILE 53 HA ILE 53 1.035 -12.675 -4.116 411 HB ILE 53 HB ILE 53 0.529 -11.924 -1.985 412 1HG1 ILE 53 2HG1 ILE 53 0.970 -9.257 -3.351 413 2HG1 ILE 53 3HG1 ILE 53 -0.116 -10.466 -4.056 414 1HG2 ILE 53 1HG2 ILE 53 2.937 -10.060 -2.062 415 2HG2 ILE 53 2HG2 ILE 53 1.669 -10.043 -0.817 416 3HG2 ILE 53 3HG2 ILE 53 2.683 -11.441 -0.981 417 1HD1 ILE 53 1HD1 ILE 53 -1.308 -8.857 -2.587 418 2HD1 ILE 53 2HD1 ILE 53 -1.451 -10.546 -2.049 419 3HD1 ILE 53 3HD1 ILE 53 -0.378 -9.413 -1.197 420 H GLY 54 H GLY 54 4.178 -11.040 -3.741 421 1HA GLY 54 2HA GLY 54 5.413 -9.945 -5.279 422 2HA GLY 54 1HA GLY 54 4.180 -10.181 -6.526 423 HA PRO 55 HA PRO 55 4.061 -5.802 -4.413 424 1HB PRO 55 2HB PRO 55 5.558 -4.307 -6.186 425 2HB PRO 55 3HB PRO 55 6.229 -5.083 -4.736 426 1HG PRO 55 2HG PRO 55 6.281 -6.106 -7.579 427 2HG PRO 55 3HG PRO 55 7.620 -6.068 -6.398 428 1HD PRO 55 2HD PRO 55 6.162 -8.327 -6.855 429 2HD PRO 55 3HD PRO 55 6.737 -7.934 -5.212 430 H ARG 56 H ARG 56 4.063 -6.838 -7.815 431 HA ARG 56 HA ARG 56 2.595 -4.806 -8.983 432 1HB ARG 56 2HB ARG 56 2.815 -7.783 -9.527 433 2HB ARG 56 3HB ARG 56 1.737 -6.797 -10.512 434 1HG ARG 56 2HG ARG 56 4.654 -6.030 -10.119 435 2HG ARG 56 3HG ARG 56 4.123 -7.155 -11.386 436 1HD ARG 56 2HD ARG 56 2.603 -5.484 -12.326 437 2HD ARG 56 3HD ARG 56 3.046 -4.313 -11.065 438 HE ARG 56 HE ARG 56 5.411 -5.163 -12.362 439 1HH1 ARG 56 2HH2 ARG 56 2.467 -3.286 -13.042 440 2HH1 ARG 56 1HH2 ARG 56 3.234 -2.233 -14.189 441 1HH2 ARG 56 2HH1 ARG 56 6.439 -3.759 -13.891 442 2HH2 ARG 56 1HH1 ARG 56 5.532 -2.512 -14.683 443 H ASP 57 H ASP 57 1.221 -7.717 -7.368 444 HA ASP 57 HA ASP 57 -1.478 -7.259 -7.990 445 1HB ASP 57 2HB ASP 57 -0.668 -9.333 -6.885 446 2HB ASP 57 3HB ASP 57 -0.259 -8.416 -5.435 447 H ILE 58 H ILE 58 0.331 -6.279 -5.100 448 HA ILE 58 HA ILE 58 -1.686 -4.683 -3.898 449 HB ILE 58 HB ILE 58 1.311 -4.979 -3.647 450 1HG1 ILE 58 2HG1 ILE 58 -1.113 -5.512 -1.852 451 2HG1 ILE 58 3HG1 ILE 58 -0.223 -6.700 -2.814 452 1HG2 ILE 58 1HG2 ILE 58 -0.325 -2.934 -2.135 453 2HG2 ILE 58 2HG2 ILE 58 1.307 -3.472 -1.692 454 3HG2 ILE 58 3HG2 ILE 58 1.051 -2.618 -3.206 455 1HD1 ILE 58 1HD1 ILE 58 1.838 -6.063 -1.463 456 2HD1 ILE 58 2HD1 ILE 58 0.720 -5.223 -0.356 457 3HD1 ILE 58 3HD1 ILE 58 0.551 -6.966 -0.627 458 H ILE 59 H ILE 59 1.044 -3.607 -5.976 459 HA ILE 59 HA ILE 59 0.324 -0.861 -5.853 460 HB ILE 59 HB ILE 59 1.920 -2.527 -7.792 461 1HG1 ILE 59 2HG1 ILE 59 2.805 -0.341 -5.890 462 2HG1 ILE 59 3HG1 ILE 59 2.712 -2.049 -5.442 463 1HG2 ILE 59 1HG2 ILE 59 1.613 0.486 -7.931 464 2HG2 ILE 59 2HG2 ILE 59 2.722 -0.497 -8.901 465 3HG2 ILE 59 3HG2 ILE 59 0.989 -0.661 -9.139 466 1HD1 ILE 59 1HD1 ILE 59 4.251 -2.598 -7.360 467 2HD1 ILE 59 2HD1 ILE 59 4.511 -0.851 -7.574 468 3HD1 ILE 59 3HD1 ILE 59 4.969 -1.637 -6.055 469 H HIS 60 H HIS 60 -0.569 -3.302 -8.383 470 HA HIS 60 HA HIS 60 -2.253 -1.431 -9.764 471 1HB HIS 60 2HB HIS 60 -2.091 -4.458 -9.851 472 2HB HIS 60 3HB HIS 60 -3.151 -3.488 -10.885 473 HD1 HIS 60 1HD HIS 60 -1.586 -1.269 -12.069 474 HD2 HIS 60 2HD HIS 60 0.191 -4.970 -11.100 475 HE1 HIS 60 1HE HIS 60 0.590 -1.399 -13.376 476 H THR 61 H THR 61 -2.871 -3.667 -7.064 477 HA THR 61 HA THR 61 -5.703 -3.365 -7.023 478 HB THR 61 HB THR 61 -3.735 -3.855 -4.756 479 HG1 THR 61 1HG THR 61 -3.966 -5.584 -6.155 480 1HG2 THR 61 1HG2 THR 61 -6.777 -3.909 -4.701 481 2HG2 THR 61 2HG2 THR 61 -5.696 -4.511 -3.427 482 3HG2 THR 61 3HG2 THR 61 -5.740 -2.787 -3.786 483 H ILE 62 H ILE 62 -3.106 -1.339 -5.454 484 HA ILE 62 HA ILE 62 -5.001 0.491 -4.353 485 HB ILE 62 HB ILE 62 -2.108 0.925 -5.064 486 1HG1 ILE 62 2HG1 ILE 62 -3.256 0.449 -2.282 487 2HG1 ILE 62 3HG1 ILE 62 -2.836 -0.920 -3.311 488 1HG2 ILE 62 1HG2 ILE 62 -3.996 2.533 -3.283 489 2HG2 ILE 62 2HG2 ILE 62 -2.252 2.796 -3.384 490 3HG2 ILE 62 3HG2 ILE 62 -3.252 3.102 -4.792 491 1HD1 ILE 62 1HD1 ILE 62 -0.907 -0.375 -1.959 492 2HD1 ILE 62 2HD1 ILE 62 -0.577 0.007 -3.664 493 3HD1 ILE 62 3HD1 ILE 62 -0.955 1.311 -2.515 494 H GLU 63 H GLU 63 -3.182 0.503 -7.452 495 HA GLU 63 HA GLU 63 -3.899 2.960 -8.523 496 1HB GLU 63 2HB GLU 63 -2.310 1.170 -9.369 497 2HB GLU 63 3HB GLU 63 -3.727 0.279 -9.947 498 1HG GLU 63 2HG GLU 63 -4.326 2.094 -11.390 499 2HG GLU 63 3HG GLU 63 -2.946 3.071 -10.839 500 H SER 64 H SER 64 -5.603 -0.165 -8.701 501 HA SER 64 HA SER 64 -7.981 0.798 -9.984 502 1HB SER 64 2HB SER 64 -7.229 -1.522 -9.972 503 2HB SER 64 3HB SER 64 -7.586 -1.654 -8.236 504 HG SER 64 HG SER 64 -9.290 -2.419 -9.619 505 H LEU 65 H LEU 65 -7.127 0.315 -6.577 506 HA LEU 65 HA LEU 65 -9.623 0.700 -5.386 507 1HB LEU 65 2HB LEU 65 -7.425 -0.202 -4.356 508 2HB LEU 65 3HB LEU 65 -6.947 1.500 -4.188 509 HG LEU 65 HG LEU 65 -8.985 1.859 -2.789 510 1HD1 LEU 65 1HD1 LEU 65 -10.441 0.021 -3.493 511 2HD1 LEU 65 2HD1 LEU 65 -9.184 -1.164 -3.158 512 3HD1 LEU 65 3HD1 LEU 65 -9.979 -0.318 -1.824 513 1HD2 LEU 65 1HD2 LEU 65 -7.016 -0.274 -1.881 514 2HD2 LEU 65 2HD2 LEU 65 -6.763 1.483 -1.818 515 3HD2 LEU 65 3HD2 LEU 65 -8.026 0.744 -0.817 516 H GLY 66 H GLY 66 -7.111 3.005 -6.250 517 1HA GLY 66 2HA GLY 66 -8.234 4.638 -7.707 518 2HA GLY 66 1HA GLY 66 -9.286 5.093 -6.362 519 H PHE 67 H PHE 67 -5.719 4.504 -6.405 520 HA PHE 67 HA PHE 67 -5.216 7.369 -5.886 521 1HB PHE 67 2HB PHE 67 -4.103 5.249 -4.041 522 2HB PHE 67 3HB PHE 67 -4.085 7.009 -3.852 523 HD1 PHE 67 1HD PHE 67 -6.439 8.164 -3.630 524 HD2 PHE 67 2HD PHE 67 -5.814 3.955 -3.004 525 HE1 PHE 67 1HE PHE 67 -8.541 8.049 -2.369 526 HE2 PHE 67 2HE PHE 67 -7.864 3.853 -1.628 527 HZ PHE 67 HZ PHE 67 -9.235 5.896 -1.289 528 H GLU 68 H GLU 68 -2.700 7.595 -5.671 529 HA GLU 68 HA GLU 68 -1.526 6.153 -7.991 530 1HB GLU 68 2HB GLU 68 -1.960 8.604 -8.106 531 2HB GLU 68 3HB GLU 68 -0.874 8.814 -6.733 532 1HG GLU 68 2HG GLU 68 0.881 7.560 -8.243 533 2HG GLU 68 3HG GLU 68 -0.220 7.964 -9.563 534 HA PRO 69 HA PRO 69 1.028 4.644 -4.410 535 1HB PRO 69 2HB PRO 69 1.492 2.114 -5.229 536 2HB PRO 69 3HB PRO 69 -0.088 2.627 -4.580 537 1HG PRO 69 2HG PRO 69 0.732 2.477 -7.498 538 2HG PRO 69 3HG PRO 69 -0.683 1.698 -6.727 539 1HD PRO 69 2HD PRO 69 -0.879 4.071 -8.001 540 2HD PRO 69 3HD PRO 69 -1.761 3.784 -6.471 541 H SER 70 H SER 70 2.333 6.452 -5.671 542 HA SER 70 HA SER 70 4.379 5.482 -7.538 543 1HB SER 70 2HB SER 70 4.082 8.092 -6.064 544 2HB SER 70 3HB SER 70 5.323 7.762 -7.281 545 HG SER 70 HG SER 70 2.907 8.622 -7.840 546 H LEU 71 H LEU 71 6.116 4.419 -6.930 547 HA LEU 71 HA LEU 71 6.904 4.034 -4.153 548 1HB LEU 71 2HB LEU 71 8.044 3.164 -6.821 549 2HB LEU 71 3HB LEU 71 8.975 2.997 -5.331 550 HG LEU 71 HG LEU 71 7.239 1.638 -4.289 551 1HD1 LEU 71 1HD1 LEU 71 5.203 2.434 -5.389 552 2HD1 LEU 71 2HD1 LEU 71 5.785 1.852 -6.966 553 3HD1 LEU 71 3HD1 LEU 71 5.387 0.708 -5.667 554 1HD2 LEU 71 1HD2 LEU 71 7.574 -0.374 -5.668 555 2HD2 LEU 71 2HD2 LEU 71 8.075 0.634 -7.043 556 3HD2 LEU 71 3HD2 LEU 71 9.066 0.578 -5.569 557 H VAL 72 H VAL 72 8.281 5.241 -2.967 558 HA VAL 72 HA VAL 72 9.556 7.606 -4.113 559 HB VAL 72 HB VAL 72 9.811 6.364 -1.331 560 1HG1 VAL 72 1HG1 VAL 72 10.483 8.663 -0.656 561 2HG1 VAL 72 2HG1 VAL 72 11.627 7.966 -1.808 562 3HG1 VAL 72 3HG1 VAL 72 10.441 9.170 -2.357 563 1HG2 VAL 72 1HG2 VAL 72 7.457 6.919 -1.763 564 2HG2 VAL 72 2HG2 VAL 72 8.155 8.099 -0.651 565 3HG2 VAL 72 3HG2 VAL 72 7.924 8.529 -2.357 566 H LYS 73 H LYS 73 10.592 4.444 -2.939 567 HA LYS 73 HA LYS 73 13.364 4.833 -3.101 568 1HB LYS 73 2HB LYS 73 12.706 3.005 -1.904 569 2HB LYS 73 3HB LYS 73 11.489 2.500 -3.064 570 1HG LYS 73 2HG LYS 73 13.411 0.936 -2.741 571 2HG LYS 73 3HG LYS 73 12.966 1.334 -4.393 572 1HD LYS 73 2HD LYS 73 15.343 1.192 -4.193 573 2HD LYS 73 3HD LYS 73 14.853 2.805 -4.637 574 1HE LYS 73 2HE LYS 73 15.226 3.556 -2.260 575 2HE LYS 73 3HE LYS 73 15.873 1.935 -1.921 576 1HZ LYS 73 1HZ LYS 73 17.440 2.355 -3.800 577 2HZ LYS 73 2HZ LYS 73 16.902 3.804 -3.989 578 3HZ LYS 73 3HZ LYS 73 17.681 3.449 -2.560 579 H ILE 74 H ILE 74 11.345 3.205 -5.612 580 HA ILE 74 HA ILE 74 11.678 2.808 -7.777 581 HB ILE 74 HB ILE 74 13.395 5.318 -7.863 582 1HG1 ILE 74 2HG1 ILE 74 10.374 4.946 -8.183 583 2HG1 ILE 74 3HG1 ILE 74 11.178 5.715 -6.805 584 1HG2 ILE 74 1HG2 ILE 74 13.557 3.833 -9.868 585 2HG2 ILE 74 2HG2 ILE 74 11.790 3.898 -10.029 586 3HG2 ILE 74 3HG2 ILE 74 12.772 5.365 -10.223 587 1HD1 ILE 74 1HD1 ILE 74 10.367 7.440 -8.172 588 2HD1 ILE 74 2HD1 ILE 74 12.138 7.429 -8.302 589 3HD1 ILE 74 3HD1 ILE 74 11.132 6.782 -9.629 590 H GLU 75 H GLU 75 14.983 3.991 -6.817 591 HA GLU 75 HA GLU 75 16.110 1.327 -7.427 592 1HB GLU 75 2HB GLU 75 16.279 2.814 -9.495 593 2HB GLU 75 3HB GLU 75 17.271 3.924 -8.530 594 1HG GLU 75 2HG GLU 75 18.915 2.091 -8.160 595 2HG GLU 75 3HG GLU 75 17.899 0.990 -9.104 Start of MODEL 14 1 1H MET 1 H1 MET 1 13.732 -14.633 4.433 2 2H MET 1 H2 MET 1 14.481 -13.550 3.388 3 3H MET 1 H3 MET 1 13.053 -13.211 4.147 4 HA MET 1 HA MET 1 12.412 -13.776 2.012 5 1HB MET 1 2HB MET 1 13.959 -16.355 2.521 6 2HB MET 1 3HB MET 1 12.949 -16.061 1.107 7 1HG MET 1 2HG MET 1 15.366 -14.288 1.665 8 2HG MET 1 3HG MET 1 15.512 -15.884 0.956 9 1HE MET 1 1HE MET 1 12.714 -13.050 -0.023 10 2HE MET 1 2HE MET 1 14.256 -12.233 0.359 11 3HE MET 1 3HE MET 1 13.673 -12.332 -1.317 12 H GLY 2 H GLY 2 10.413 -14.945 1.804 13 1HA GLY 2 2HA GLY 2 8.406 -15.589 2.732 14 2HA GLY 2 1HA GLY 2 9.270 -16.511 3.982 15 H ASP 3 H ASP 3 9.700 -13.080 3.135 16 HA ASP 3 HA ASP 3 8.135 -11.848 5.095 17 1HB ASP 3 2HB ASP 3 9.651 -11.221 6.777 18 2HB ASP 3 3HB ASP 3 10.051 -12.924 6.579 19 H GLY 4 H GLY 4 8.686 -9.441 5.047 20 1HA GLY 4 2HA GLY 4 10.813 -8.274 3.790 21 2HA GLY 4 1HA GLY 4 9.642 -8.534 2.472 22 H VAL 5 H VAL 5 10.231 -5.957 3.009 23 HA VAL 5 HA VAL 5 7.549 -5.113 3.537 24 HB VAL 5 HB VAL 5 7.954 -3.243 4.909 25 1HG1 VAL 5 1HG1 VAL 5 8.079 -5.383 6.249 26 2HG1 VAL 5 2HG1 VAL 5 9.846 -5.315 6.129 27 3HG1 VAL 5 3HG1 VAL 5 8.965 -4.041 6.985 28 1HG2 VAL 5 1HG2 VAL 5 10.156 -2.447 5.660 29 2HG2 VAL 5 2HG2 VAL 5 10.939 -3.598 4.549 30 3HG2 VAL 5 3HG2 VAL 5 9.912 -2.279 3.925 31 H LEU 6 H LEU 6 7.045 -3.211 2.269 32 HA LEU 6 HA LEU 6 9.232 -1.981 0.784 33 1HB LEU 6 2HB LEU 6 8.879 -3.787 -0.688 34 2HB LEU 6 3HB LEU 6 7.135 -3.668 -0.600 35 HG LEU 6 HG LEU 6 8.625 -1.293 -1.699 36 1HD1 LEU 6 1HD1 LEU 6 8.220 -3.871 -3.252 37 2HD1 LEU 6 2HD1 LEU 6 8.705 -2.309 -3.937 38 3HD1 LEU 6 3HD1 LEU 6 9.771 -3.140 -2.794 39 1HD2 LEU 6 1HD2 LEU 6 6.100 -1.342 -1.471 40 2HD2 LEU 6 2HD2 LEU 6 6.653 -1.135 -3.136 41 3HD2 LEU 6 3HD2 LEU 6 6.067 -2.713 -2.588 42 H GLU 7 H GLU 7 8.672 0.037 0.016 43 HA GLU 7 HA GLU 7 6.213 1.243 1.168 44 1HB GLU 7 2HB GLU 7 8.819 2.482 0.228 45 2HB GLU 7 3HB GLU 7 7.440 3.333 0.920 46 1HG GLU 7 2HG GLU 7 7.799 2.076 3.079 47 2HG GLU 7 3HG GLU 7 9.271 1.371 2.386 48 H LEU 8 H LEU 8 4.930 2.559 -0.174 49 HA LEU 8 HA LEU 8 5.964 3.284 -2.764 50 1HB LEU 8 2HB LEU 8 4.059 2.587 -4.106 51 2HB LEU 8 3HB LEU 8 5.006 1.255 -3.492 52 HG LEU 8 HG LEU 8 2.800 0.589 -3.532 53 1HD1 LEU 8 1HD1 LEU 8 3.241 1.106 -0.586 54 2HD1 LEU 8 2HD1 LEU 8 2.297 -0.175 -1.350 55 3HD1 LEU 8 3HD1 LEU 8 4.060 -0.163 -1.528 56 1HD2 LEU 8 1HD2 LEU 8 1.746 2.851 -3.521 57 2HD2 LEU 8 2HD2 LEU 8 0.911 1.626 -2.539 58 3HD2 LEU 8 3HD2 LEU 8 1.907 2.852 -1.756 59 H VAL 9 H VAL 9 5.207 5.222 -3.447 60 HA VAL 9 HA VAL 9 3.690 6.813 -1.507 61 HB VAL 9 HB VAL 9 5.415 7.380 -3.866 62 1HG1 VAL 9 1HG1 VAL 9 3.428 8.584 -4.607 63 2HG1 VAL 9 2HG1 VAL 9 3.241 9.327 -3.000 64 3HG1 VAL 9 3HG1 VAL 9 4.637 9.724 -4.016 65 1HG2 VAL 9 1HG2 VAL 9 4.957 8.853 -1.217 66 2HG2 VAL 9 2HG2 VAL 9 6.159 7.565 -1.449 67 3HG2 VAL 9 3HG2 VAL 9 6.304 9.100 -2.334 68 H VAL 10 H VAL 10 1.661 7.618 -1.975 69 HA VAL 10 HA VAL 10 0.255 6.689 -4.402 70 HB VAL 10 HB VAL 10 -1.629 6.499 -2.293 71 1HG1 VAL 10 1HG1 VAL 10 -1.932 4.312 -3.076 72 2HG1 VAL 10 2HG1 VAL 10 -1.496 5.263 -4.510 73 3HG1 VAL 10 3HG1 VAL 10 -0.288 4.215 -3.753 74 1HG2 VAL 10 1HG2 VAL 10 0.804 4.776 -1.739 75 2HG2 VAL 10 2HG2 VAL 10 0.258 6.099 -0.687 76 3HG2 VAL 10 3HG2 VAL 10 -0.771 4.672 -0.938 77 H ARG 11 H ARG 11 -0.078 8.651 -5.291 78 HA ARG 11 HA ARG 11 -1.046 10.921 -3.648 79 1HB ARG 11 2HB ARG 11 -1.133 10.686 -6.662 80 2HB ARG 11 3HB ARG 11 -1.318 12.130 -5.667 81 1HG ARG 11 2HG ARG 11 1.096 11.654 -4.821 82 2HG ARG 11 3HG ARG 11 1.214 10.538 -6.195 83 1HD ARG 11 2HD ARG 11 0.688 13.527 -6.227 84 2HD ARG 11 3HD ARG 11 2.096 12.677 -6.904 85 HE ARG 11 HE ARG 11 0.107 11.533 -8.349 86 1HH1 ARG 11 2HH2 ARG 11 1.043 14.876 -7.933 87 2HH1 ARG 11 1HH2 ARG 11 -0.009 15.491 -9.178 88 1HH2 ARG 11 2HH1 ARG 11 -1.476 12.287 -9.769 89 2HH2 ARG 11 1HH1 ARG 11 -1.412 13.923 -10.368 90 H GLY 12 H GLY 12 -3.252 11.820 -4.263 91 1HA GLY 12 2HA GLY 12 -5.464 11.524 -5.009 92 2HA GLY 12 1HA GLY 12 -5.260 9.775 -5.079 93 H MET 13 H MET 13 -3.863 10.381 -2.188 94 HA MET 13 HA MET 13 -6.224 9.715 -0.636 95 1HB MET 13 2HB MET 13 -3.381 10.389 0.179 96 2HB MET 13 3HB MET 13 -4.656 9.825 1.270 97 1HG MET 13 2HG MET 13 -4.888 7.770 -0.170 98 2HG MET 13 3HG MET 13 -3.428 8.254 -1.035 99 1HE MET 13 1HE MET 13 -0.687 7.910 1.698 100 2HE MET 13 2HE MET 13 -0.993 7.867 -0.047 101 3HE MET 13 3HE MET 13 -1.441 9.307 0.878 102 H THR 14 H THR 14 -7.281 11.710 -1.576 103 HA THR 14 HA THR 14 -6.366 14.294 -0.576 104 HB THR 14 HB THR 14 -7.034 13.910 -2.913 105 HG1 THR 14 1HG THR 14 -8.540 15.737 -1.384 106 1HG2 THR 14 1HG2 THR 14 -9.391 13.729 -3.544 107 2HG2 THR 14 2HG2 THR 14 -8.925 12.310 -2.601 108 3HG2 THR 14 3HG2 THR 14 -9.883 13.602 -1.849 109 H CYS 15 H CYS 15 -7.913 12.170 1.282 110 HA CYS 15 HA CYS 15 -9.464 14.127 2.730 111 1HB CYS 15 2HB CYS 15 -10.959 13.442 0.682 112 2HB CYS 15 3HB CYS 15 -11.040 11.845 1.447 113 HG CYS 15 HG CYS 15 -11.871 14.827 2.586 114 H ALA 16 H ALA 16 -10.695 12.825 4.567 115 HA ALA 16 HA ALA 16 -9.056 10.777 5.763 116 1HB ALA 16 1HB ALA 16 -11.975 11.516 6.251 117 2HB ALA 16 2HB ALA 16 -10.936 10.569 7.336 118 3HB ALA 16 3HB ALA 16 -10.576 12.277 7.044 119 H SER 17 H SER 17 -10.575 8.731 6.428 120 HA SER 17 HA SER 17 -11.228 6.701 5.892 121 1HB SER 17 2HB SER 17 -12.720 6.139 4.181 122 2HB SER 17 3HB SER 17 -13.205 7.731 4.774 123 HG SER 17 HG SER 17 -12.107 8.600 2.916 124 H CYS 18 H CYS 18 -9.914 8.184 2.960 125 HA CYS 18 HA CYS 18 -8.639 6.479 1.471 126 1HB CYS 18 2HB CYS 18 -7.183 8.861 2.694 127 2HB CYS 18 3HB CYS 18 -6.678 7.944 1.265 128 HG CYS 18 HG CYS 18 -9.339 9.782 1.778 129 H VAL 19 H VAL 19 -7.096 7.338 4.571 130 HA VAL 19 HA VAL 19 -4.960 5.589 4.641 131 HB VAL 19 HB VAL 19 -6.855 6.485 6.851 132 1HG1 VAL 19 1HG1 VAL 19 -4.094 5.228 7.159 133 2HG1 VAL 19 2HG1 VAL 19 -5.059 5.959 8.448 134 3HG1 VAL 19 3HG1 VAL 19 -5.625 4.485 7.659 135 1HG2 VAL 19 1HG2 VAL 19 -5.045 8.107 7.337 136 2HG2 VAL 19 2HG2 VAL 19 -4.109 7.484 5.965 137 3HG2 VAL 19 3HG2 VAL 19 -5.649 8.323 5.691 138 H HIS 20 H HIS 20 -8.207 4.779 6.076 139 HA HIS 20 HA HIS 20 -7.376 2.011 6.329 140 1HB HIS 20 2HB HIS 20 -8.927 1.840 7.840 141 2HB HIS 20 3HB HIS 20 -9.154 3.575 7.719 142 HD1 HIS 20 1HD HIS 20 -11.255 0.865 8.161 143 HD2 HIS 20 2HD HIS 20 -11.055 3.866 5.229 144 HE1 HIS 20 1HE HIS 20 -13.580 1.046 7.129 145 H LYS 21 H LYS 21 -9.063 3.921 3.956 146 HA LYS 21 HA LYS 21 -10.402 1.981 2.430 147 1HB LYS 21 2HB LYS 21 -9.880 4.638 2.175 148 2HB LYS 21 3HB LYS 21 -8.760 4.039 0.967 149 1HG LYS 21 2HG LYS 21 -11.759 3.503 1.045 150 2HG LYS 21 3HG LYS 21 -10.936 4.733 0.080 151 1HD LYS 21 2HD LYS 21 -9.576 2.781 -0.982 152 2HD LYS 21 3HD LYS 21 -10.706 1.705 -0.160 153 1HE LYS 21 2HE LYS 21 -11.538 1.946 -2.381 154 2HE LYS 21 3HE LYS 21 -12.613 2.886 -1.340 155 1HZ LYS 21 1HZ LYS 21 -11.318 4.870 -2.067 156 2HZ LYS 21 2HZ LYS 21 -10.480 3.919 -3.123 157 3HZ LYS 21 3HZ LYS 21 -12.079 4.101 -3.302 158 H ILE 22 H ILE 22 -6.968 2.873 2.604 159 HA ILE 22 HA ILE 22 -6.122 0.824 0.648 160 HB ILE 22 HB ILE 22 -4.676 2.808 2.426 161 1HG1 ILE 22 2HG1 ILE 22 -5.053 2.648 -0.568 162 2HG1 ILE 22 3HG1 ILE 22 -5.891 3.741 0.567 163 1HG2 ILE 22 1HG2 ILE 22 -3.259 0.813 2.183 164 2HG2 ILE 22 2HG2 ILE 22 -3.522 0.855 0.425 165 3HG2 ILE 22 3HG2 ILE 22 -2.608 2.148 1.242 166 1HD1 ILE 22 1HD1 ILE 22 -3.866 4.867 1.104 167 2HD1 ILE 22 2HD1 ILE 22 -2.935 3.884 -0.067 168 3HD1 ILE 22 3HD1 ILE 22 -4.201 4.975 -0.628 169 H GLU 23 H GLU 23 -5.436 1.586 4.065 170 HA GLU 23 HA GLU 23 -3.994 -0.620 4.697 171 1HB GLU 23 2HB GLU 23 -5.043 1.590 6.046 172 2HB GLU 23 3HB GLU 23 -5.744 0.270 6.955 173 1HG GLU 23 2HG GLU 23 -3.501 -0.519 7.509 174 2HG GLU 23 3HG GLU 23 -2.779 0.503 6.237 175 H SER 24 H SER 24 -7.516 -0.346 5.179 176 HA SER 24 HA SER 24 -7.861 -2.976 6.297 177 1HB SER 24 2HB SER 24 -9.448 -1.048 6.567 178 2HB SER 24 3HB SER 24 -9.949 -1.268 4.875 179 HG SER 24 HG SER 24 -11.305 -2.400 6.335 180 H SER 25 H SER 25 -8.339 -1.569 3.034 181 HA SER 25 HA SER 25 -9.242 -3.970 1.806 182 1HB SER 25 2HB SER 25 -9.486 -1.633 0.916 183 2HB SER 25 3HB SER 25 -7.779 -1.693 0.434 184 HG SER 25 HG SER 25 -8.425 -3.740 -0.670 185 H LEU 26 H LEU 26 -5.993 -2.828 2.578 186 HA LEU 26 HA LEU 26 -4.750 -4.983 1.034 187 1HB LEU 26 2HB LEU 26 -3.681 -2.821 2.780 188 2HB LEU 26 3HB LEU 26 -2.732 -4.306 2.568 189 HG LEU 26 HG LEU 26 -2.228 -2.461 0.952 190 1HD1 LEU 26 1HD1 LEU 26 -1.895 -3.957 -0.930 191 2HD1 LEU 26 2HD1 LEU 26 -1.542 -4.805 0.587 192 3HD1 LEU 26 3HD1 LEU 26 -3.047 -5.127 -0.294 193 1HD2 LEU 26 1HD2 LEU 26 -4.904 -3.237 -0.324 194 2HD2 LEU 26 2HD2 LEU 26 -4.445 -1.651 0.333 195 3HD2 LEU 26 3HD2 LEU 26 -3.645 -2.313 -1.103 196 H THR 27 H THR 27 -5.417 -4.464 4.556 197 HA THR 27 HA THR 27 -4.178 -6.801 5.427 198 HB THR 27 HB THR 27 -5.884 -6.923 7.214 199 HG1 THR 27 1HG THR 27 -7.130 -5.065 5.649 200 1HG2 THR 27 1HG2 THR 27 -5.101 -4.886 8.362 201 2HG2 THR 27 2HG2 THR 27 -3.756 -5.570 7.431 202 3HG2 THR 27 3HG2 THR 27 -4.625 -4.149 6.831 203 H LYS 28 H LYS 28 -7.263 -6.491 3.818 204 HA LYS 28 HA LYS 28 -8.379 -9.025 3.971 205 1HB LYS 28 2HB LYS 28 -9.521 -7.265 2.887 206 2HB LYS 28 3HB LYS 28 -8.134 -6.903 1.865 207 1HG LYS 28 2HG LYS 28 -9.830 -7.801 0.523 208 2HG LYS 28 3HG LYS 28 -8.440 -8.886 0.554 209 1HD LYS 28 2HD LYS 28 -9.671 -10.313 2.258 210 2HD LYS 28 3HD LYS 28 -11.063 -9.221 2.099 211 1HE LYS 28 2HE LYS 28 -11.205 -9.760 -0.333 212 2HE LYS 28 3HE LYS 28 -9.777 -10.800 -0.195 213 1HZ LYS 28 1HZ LYS 28 -11.789 -12.068 -0.160 214 2HZ LYS 28 2HZ LYS 28 -11.014 -12.217 1.283 215 3HZ LYS 28 3HZ LYS 28 -12.352 -11.261 1.158 216 H HIS 29 H HIS 29 -5.529 -8.090 1.920 217 HA HIS 29 HA HIS 29 -5.532 -10.639 0.487 218 1HB HIS 29 2HB HIS 29 -3.288 -8.602 0.801 219 2HB HIS 29 3HB HIS 29 -3.320 -10.013 -0.270 220 HD1 HIS 29 1HD HIS 29 -3.703 -9.240 -2.759 221 HD2 HIS 29 2HD HIS 29 -5.452 -6.800 0.188 222 HE1 HIS 29 1HE HIS 29 -4.871 -7.392 -3.966 223 H ARG 30 H ARG 30 -4.414 -12.506 1.107 224 HA ARG 30 HA ARG 30 -4.180 -12.774 3.859 225 1HB ARG 30 2HB ARG 30 -4.749 -14.609 2.322 226 2HB ARG 30 3HB ARG 30 -3.084 -14.651 1.725 227 1HG ARG 30 2HG ARG 30 -3.583 -16.431 3.364 228 2HG ARG 30 3HG ARG 30 -2.259 -15.387 3.903 229 1HD ARG 30 2HD ARG 30 -3.685 -14.230 5.467 230 2HD ARG 30 3HD ARG 30 -5.150 -14.999 4.785 231 HE ARG 30 HE ARG 30 -3.392 -17.029 5.687 232 1HH1 ARG 30 2HH2 ARG 30 -5.289 -14.383 7.021 233 2HH1 ARG 30 1HH2 ARG 30 -5.617 -15.144 8.546 234 1HH2 ARG 30 2HH1 ARG 30 -3.795 -18.098 7.712 235 2HH2 ARG 30 1HH1 ARG 30 -4.731 -17.318 8.944 236 H GLY 31 H GLY 31 -1.452 -12.687 1.496 237 1HA GLY 31 2HA GLY 31 0.501 -13.186 3.575 238 2HA GLY 31 1HA GLY 31 0.812 -12.847 1.871 239 H ILE 32 H ILE 32 -0.833 -10.823 4.402 240 HA ILE 32 HA ILE 32 1.306 -8.803 4.121 241 HB ILE 32 HB ILE 32 -0.853 -8.413 2.901 242 1HG1 ILE 32 2HG1 ILE 32 0.558 -6.593 2.996 243 2HG1 ILE 32 3HG1 ILE 32 -0.997 -5.992 3.549 244 1HG2 ILE 32 1HG2 ILE 32 -1.911 -7.565 5.594 245 2HG2 ILE 32 2HG2 ILE 32 -2.713 -7.621 4.010 246 3HG2 ILE 32 3HG2 ILE 32 -2.307 -9.130 4.850 247 1HD1 ILE 32 1HD1 ILE 32 0.697 -5.081 4.978 248 2HD1 ILE 32 2HD1 ILE 32 -0.173 -6.288 5.939 249 3HD1 ILE 32 3HD1 ILE 32 1.418 -6.666 5.244 250 H LEU 33 H LEU 33 2.386 -8.773 5.946 251 HA LEU 33 HA LEU 33 1.318 -9.844 8.456 252 1HB LEU 33 2HB LEU 33 3.504 -10.397 8.329 253 2HB LEU 33 3HB LEU 33 3.959 -9.003 7.387 254 HG LEU 33 HG LEU 33 3.882 -7.566 9.401 255 1HD1 LEU 33 1HD1 LEU 33 2.391 -9.044 10.846 256 2HD1 LEU 33 2HD1 LEU 33 3.668 -10.267 10.850 257 3HD1 LEU 33 3HD1 LEU 33 3.940 -8.693 11.625 258 1HD2 LEU 33 1HD2 LEU 33 5.740 -9.971 9.481 259 2HD2 LEU 33 2HD2 LEU 33 5.972 -8.494 8.526 260 3HD2 LEU 33 3HD2 LEU 33 6.012 -8.415 10.295 261 H TYR 34 H TYR 34 2.254 -6.602 7.192 262 HA TYR 34 HA TYR 34 0.285 -5.343 8.990 263 1HB TYR 34 2HB TYR 34 2.280 -5.660 10.435 264 2HB TYR 34 3HB TYR 34 3.269 -4.838 9.248 265 HD1 TYR 34 HD1 TYR 34 3.588 -2.501 9.360 266 HD2 TYR 34 HD2 TYR 34 0.256 -4.287 11.432 267 HE1 TYR 34 HE1 TYR 34 3.181 -0.369 10.533 268 HE2 TYR 34 HE2 TYR 34 -0.237 -2.098 12.501 269 HH TYR 34 HH TYR 34 1.653 0.845 11.794 270 H CYS 35 H CYS 35 -0.681 -3.779 7.766 271 HA CYS 35 HA CYS 35 0.907 -2.370 5.670 272 1HB CYS 35 2HB CYS 35 -1.876 -1.521 5.907 273 2HB CYS 35 3HB CYS 35 -0.958 -1.982 4.490 274 HG CYS 35 HG CYS 35 -3.303 -3.231 4.951 275 H SER 36 H SER 36 0.889 -0.048 5.748 276 HA SER 36 HA SER 36 -0.555 1.321 7.839 277 1HB SER 36 2HB SER 36 1.392 0.528 9.133 278 2HB SER 36 3HB SER 36 2.477 1.381 8.019 279 HG SER 36 HG SER 36 0.377 2.624 9.488 280 H VAL 37 H VAL 37 -1.408 2.929 6.459 281 HA VAL 37 HA VAL 37 0.578 4.379 4.787 282 HB VAL 37 HB VAL 37 -1.049 3.106 3.490 283 1HG1 VAL 37 1HG1 VAL 37 -3.506 3.958 3.700 284 2HG1 VAL 37 2HG1 VAL 37 -2.924 2.706 4.815 285 3HG1 VAL 37 3HG1 VAL 37 -3.057 4.394 5.337 286 1HG2 VAL 37 1HG2 VAL 37 -0.394 5.377 2.677 287 2HG2 VAL 37 2HG2 VAL 37 -1.947 4.794 2.115 288 3HG2 VAL 37 3HG2 VAL 37 -1.886 6.015 3.414 289 H ALA 38 H ALA 38 0.648 6.546 4.666 290 HA ALA 38 HA ALA 38 -1.105 8.068 6.536 291 1HB ALA 38 1HB ALA 38 1.035 7.829 7.685 292 2HB ALA 38 2HB ALA 38 1.891 8.441 6.243 293 3HB ALA 38 3HB ALA 38 0.756 9.499 7.123 294 H LEU 39 H LEU 39 -1.915 9.818 5.715 295 HA LEU 39 HA LEU 39 -1.736 10.213 2.873 296 1HB LEU 39 2HB LEU 39 -3.514 11.771 3.065 297 2HB LEU 39 3HB LEU 39 -3.825 10.339 4.032 298 HG LEU 39 HG LEU 39 -2.796 11.907 5.996 299 1HD1 LEU 39 1HD1 LEU 39 -3.598 14.218 5.731 300 2HD1 LEU 39 2HD1 LEU 39 -2.456 13.879 4.424 301 3HD1 LEU 39 3HD1 LEU 39 -4.195 13.861 4.100 302 1HD2 LEU 39 1HD2 LEU 39 -5.649 12.000 4.934 303 2HD2 LEU 39 2HD2 LEU 39 -4.975 10.794 6.052 304 3HD2 LEU 39 3HD2 LEU 39 -5.136 12.480 6.566 305 H ALA 40 H ALA 40 -0.646 12.134 5.687 306 HA ALA 40 HA ALA 40 0.317 14.378 4.285 307 1HB ALA 40 1HB ALA 40 0.114 14.290 6.732 308 2HB ALA 40 2HB ALA 40 1.419 13.084 6.821 309 3HB ALA 40 3HB ALA 40 1.764 14.733 6.254 310 H THR 41 H THR 41 2.088 11.332 5.188 311 HA THR 41 HA THR 41 4.502 12.011 3.865 312 HB THR 41 HB THR 41 3.451 9.213 4.368 313 HG1 THR 41 1HG THR 41 4.325 11.045 6.344 314 1HG2 THR 41 1HG2 THR 41 6.166 10.526 4.899 315 2HG2 THR 41 2HG2 THR 41 5.757 8.815 5.143 316 3HG2 THR 41 3HG2 THR 41 5.787 9.496 3.506 317 H ASN 42 H ASN 42 1.388 11.179 2.643 318 HA ASN 42 HA ASN 42 0.545 10.388 0.739 319 1HB ASN 42 2HB ASN 42 3.147 11.483 -0.428 320 2HB ASN 42 3HB ASN 42 1.827 10.825 -1.388 321 1HD2 ASN 42 1HD2 ASN 42 2.171 13.325 1.297 322 2HD2 ASN 42 2HD2 ASN 42 1.129 14.427 0.439 323 H LYS 43 H LYS 43 1.905 8.512 2.498 324 HA LYS 43 HA LYS 43 3.177 6.665 0.541 325 1HB LYS 43 2HB LYS 43 4.947 7.958 1.692 326 2HB LYS 43 3HB LYS 43 4.351 7.320 3.245 327 1HG LYS 43 2HG LYS 43 4.728 4.991 2.372 328 2HG LYS 43 3HG LYS 43 5.408 5.668 0.894 329 1HD LYS 43 2HD LYS 43 6.482 6.054 3.742 330 2HD LYS 43 3HD LYS 43 6.984 4.811 2.612 331 1HE LYS 43 2HE LYS 43 7.505 6.873 0.989 332 2HE LYS 43 3HE LYS 43 7.508 7.790 2.501 333 1HZ LYS 43 1HZ LYS 43 9.735 7.019 2.044 334 2HZ LYS 43 2HZ LYS 43 9.170 5.959 3.254 335 3HZ LYS 43 3HZ LYS 43 9.258 5.526 1.745 336 H ALA 44 H ALA 44 2.604 4.631 0.652 337 HA ALA 44 HA ALA 44 1.436 3.517 3.163 338 1HB ALA 44 1HB ALA 44 1.356 2.383 0.359 339 2HB ALA 44 2HB ALA 44 0.652 1.671 1.820 340 3HB ALA 44 3HB ALA 44 -0.006 3.186 1.165 341 H HIS 45 H HIS 45 2.747 2.183 4.301 342 HA HIS 45 HA HIS 45 4.887 0.828 2.754 343 1HB HIS 45 2HB HIS 45 6.317 0.644 4.450 344 2HB HIS 45 3HB HIS 45 5.701 2.261 4.770 345 HD1 HIS 45 1HD HIS 45 5.477 2.492 7.325 346 HD2 HIS 45 2HD HIS 45 4.870 -1.424 5.916 347 HE1 HIS 45 1HE HIS 45 5.340 0.985 9.371 348 H ILE 46 H ILE 46 4.867 -1.365 2.794 349 HA ILE 46 HA ILE 46 2.687 -2.644 4.348 350 HB ILE 46 HB ILE 46 3.258 -3.102 1.419 351 1HG1 ILE 46 2HG1 ILE 46 0.878 -1.754 2.772 352 2HG1 ILE 46 3HG1 ILE 46 2.091 -0.939 1.759 353 1HG2 ILE 46 1HG2 ILE 46 0.883 -4.119 3.008 354 2HG2 ILE 46 2HG2 ILE 46 1.493 -4.721 1.461 355 3HG2 ILE 46 3HG2 ILE 46 2.385 -5.064 2.940 356 1HD1 ILE 46 1HD1 ILE 46 0.114 -1.287 0.454 357 2HD1 ILE 46 2HD1 ILE 46 1.454 -2.278 -0.159 358 3HD1 ILE 46 3HD1 ILE 46 0.142 -3.031 0.781 359 H LYS 47 H LYS 47 3.362 -4.250 5.410 360 HA LYS 47 HA LYS 47 6.021 -5.507 4.954 361 1HB LYS 47 2HB LYS 47 4.149 -5.829 7.304 362 2HB LYS 47 3HB LYS 47 5.783 -6.458 7.085 363 1HG LYS 47 2HG LYS 47 6.406 -3.885 6.778 364 2HG LYS 47 3HG LYS 47 4.845 -3.613 7.568 365 1HD LYS 47 2HD LYS 47 5.532 -5.231 9.360 366 2HD LYS 47 3HD LYS 47 7.102 -5.406 8.568 367 1HE LYS 47 2HE LYS 47 7.546 -2.957 8.871 368 2HE LYS 47 3HE LYS 47 5.978 -2.763 9.666 369 1HZ LYS 47 1HZ LYS 47 7.754 -2.944 11.247 370 2HZ LYS 47 2HZ LYS 47 6.744 -4.231 11.405 371 3HZ LYS 47 3HZ LYS 47 8.205 -4.415 10.665 372 H TYR 48 H TYR 48 4.940 -6.364 2.949 373 HA TYR 48 HA TYR 48 3.257 -8.677 3.538 374 1HB TYR 48 2HB TYR 48 2.746 -8.687 1.113 375 2HB TYR 48 3HB TYR 48 2.435 -7.113 1.796 376 HD1 TYR 48 HD1 TYR 48 3.936 -5.201 1.292 377 HD2 TYR 48 HD2 TYR 48 4.604 -9.046 -0.494 378 HE1 TYR 48 HE1 TYR 48 4.966 -4.099 -0.656 379 HE2 TYR 48 HE2 TYR 48 5.890 -7.954 -2.319 380 HH TYR 48 HH TYR 48 6.641 -5.998 -3.196 381 H ASP 49 H ASP 49 3.530 -10.597 2.079 382 HA ASP 49 HA ASP 49 6.278 -11.592 2.340 383 1HB ASP 49 2HB ASP 49 3.655 -12.914 1.658 384 2HB ASP 49 3HB ASP 49 5.193 -13.755 1.985 385 HA PRO 50 HA PRO 50 6.246 -10.096 -1.931 386 1HB PRO 50 2HB PRO 50 8.928 -10.360 -2.591 387 2HB PRO 50 3HB PRO 50 8.245 -9.033 -1.606 388 1HG PRO 50 2HG PRO 50 9.525 -11.593 -0.614 389 2HG PRO 50 3HG PRO 50 9.862 -9.923 -0.078 390 1HD PRO 50 2HD PRO 50 8.200 -11.495 1.322 391 2HD PRO 50 3HD PRO 50 7.772 -9.774 1.042 392 H GLU 51 H GLU 51 7.664 -13.262 -1.108 393 HA GLU 51 HA GLU 51 7.899 -14.219 -3.756 394 1HB GLU 51 2HB GLU 51 7.388 -15.785 -1.183 395 2HB GLU 51 3HB GLU 51 8.008 -16.409 -2.714 396 1HG GLU 51 2HG GLU 51 9.968 -16.142 -1.537 397 2HG GLU 51 3HG GLU 51 9.917 -14.614 -2.420 398 H ILE 52 H ILE 52 5.061 -13.895 -1.689 399 HA ILE 52 HA ILE 52 3.546 -15.786 -3.445 400 HB ILE 52 HB ILE 52 1.967 -15.935 -1.533 401 1HG1 ILE 52 2HG1 ILE 52 4.217 -14.641 0.051 402 2HG1 ILE 52 3HG1 ILE 52 2.639 -13.920 -0.272 403 1HG2 ILE 52 1HG2 ILE 52 3.722 -17.634 -2.150 404 2HG2 ILE 52 2HG2 ILE 52 4.821 -16.870 -0.986 405 3HG2 ILE 52 3HG2 ILE 52 3.324 -17.650 -0.437 406 1HD1 ILE 52 1HD1 ILE 52 2.492 -14.847 1.928 407 2HD1 ILE 52 2HD1 ILE 52 1.546 -15.896 0.867 408 3HD1 ILE 52 3HD1 ILE 52 3.169 -16.391 1.411 409 H ILE 53 H ILE 53 3.029 -12.700 -1.757 410 HA ILE 53 HA ILE 53 0.641 -12.243 -3.495 411 HB ILE 53 HB ILE 53 0.140 -11.751 -1.295 412 1HG1 ILE 53 2HG1 ILE 53 0.796 -9.087 -2.644 413 2HG1 ILE 53 3HG1 ILE 53 -0.580 -10.142 -2.992 414 1HG2 ILE 53 1HG2 ILE 53 2.610 -10.007 -1.015 415 2HG2 ILE 53 2HG2 ILE 53 1.313 -10.204 0.167 416 3HG2 ILE 53 3HG2 ILE 53 2.320 -11.577 -0.216 417 1HD1 ILE 53 1HD1 ILE 53 -1.159 -9.888 -0.482 418 2HD1 ILE 53 2HD1 ILE 53 -0.022 -8.528 -0.481 419 3HD1 ILE 53 3HD1 ILE 53 -1.437 -8.483 -1.542 420 H GLY 54 H GLY 54 3.693 -10.676 -2.607 421 1HA GLY 54 2HA GLY 54 5.237 -9.656 -3.929 422 2HA GLY 54 1HA GLY 54 4.304 -10.123 -5.356 423 HA PRO 55 HA PRO 55 4.230 -5.420 -4.440 424 1HB PRO 55 2HB PRO 55 5.587 -4.676 -6.750 425 2HB PRO 55 3HB PRO 55 6.347 -4.945 -5.167 426 1HG PRO 55 2HG PRO 55 6.159 -6.860 -7.493 427 2HG PRO 55 3HG PRO 55 7.574 -6.525 -6.455 428 1HD PRO 55 2HD PRO 55 6.007 -8.721 -6.067 429 2HD PRO 55 3HD PRO 55 6.662 -7.844 -4.669 430 H ARG 56 H ARG 56 3.789 -7.374 -7.407 431 HA ARG 56 HA ARG 56 2.364 -5.476 -8.906 432 1HB ARG 56 2HB ARG 56 2.286 -8.521 -8.972 433 2HB ARG 56 3HB ARG 56 1.501 -7.474 -10.164 434 1HG ARG 56 2HG ARG 56 3.674 -6.401 -10.683 435 2HG ARG 56 3HG ARG 56 4.489 -7.503 -9.552 436 1HD ARG 56 2HD ARG 56 3.719 -9.441 -10.874 437 2HD ARG 56 3HD ARG 56 2.862 -8.342 -11.988 438 HE ARG 56 HE ARG 56 5.571 -7.527 -11.851 439 1HH1 ARG 56 2HH2 ARG 56 3.659 -10.226 -13.051 440 2HH1 ARG 56 1HH2 ARG 56 4.730 -10.638 -14.354 441 1HH2 ARG 56 2HH1 ARG 56 7.040 -8.032 -13.571 442 2HH2 ARG 56 1HH1 ARG 56 6.710 -9.348 -14.648 443 H ASP 57 H ASP 57 0.925 -8.189 -7.026 444 HA ASP 57 HA ASP 57 -1.761 -7.691 -7.566 445 1HB ASP 57 2HB ASP 57 -0.897 -9.707 -6.381 446 2HB ASP 57 3HB ASP 57 -0.481 -8.719 -4.982 447 H ILE 58 H ILE 58 0.163 -6.588 -4.841 448 HA ILE 58 HA ILE 58 -1.571 -4.738 -3.580 449 HB ILE 58 HB ILE 58 1.450 -4.861 -3.922 450 1HG1 ILE 58 2HG1 ILE 58 -0.373 -5.603 -1.591 451 2HG1 ILE 58 3HG1 ILE 58 0.306 -6.747 -2.745 452 1HG2 ILE 58 1HG2 ILE 58 -0.078 -3.093 -1.976 453 2HG2 ILE 58 2HG2 ILE 58 1.690 -3.270 -2.129 454 3HG2 ILE 58 3HG2 ILE 58 0.784 -2.504 -3.410 455 1HD1 ILE 58 1HD1 ILE 58 2.592 -6.080 -2.084 456 2HD1 ILE 58 2HD1 ILE 58 1.894 -5.044 -0.814 457 3HD1 ILE 58 3HD1 ILE 58 1.633 -6.795 -0.771 458 H ILE 59 H ILE 59 0.999 -3.807 -5.941 459 HA ILE 59 HA ILE 59 0.115 -1.163 -6.104 460 HB ILE 59 HB ILE 59 1.709 -2.967 -7.932 461 1HG1 ILE 59 2HG1 ILE 59 2.488 -0.503 -6.317 462 2HG1 ILE 59 3HG1 ILE 59 2.583 -2.156 -5.708 463 1HG2 ILE 59 1HG2 ILE 59 2.357 -1.051 -9.316 464 2HG2 ILE 59 2HG2 ILE 59 0.644 -1.392 -9.473 465 3HG2 ILE 59 3HG2 ILE 59 1.182 -0.027 -8.465 466 1HD1 ILE 59 1HD1 ILE 59 4.763 -1.551 -6.445 467 2HD1 ILE 59 2HD1 ILE 59 4.126 -2.733 -7.606 468 3HD1 ILE 59 3HD1 ILE 59 4.179 -1.002 -8.021 469 H HIS 60 H HIS 60 -1.066 -3.936 -7.914 470 HA HIS 60 HA HIS 60 -2.648 -2.438 -9.835 471 1HB HIS 60 2HB HIS 60 -3.054 -5.267 -8.771 472 2HB HIS 60 3HB HIS 60 -3.831 -4.565 -10.188 473 HD1 HIS 60 1HD HIS 60 -2.349 -7.132 -10.702 474 HD2 HIS 60 2HD HIS 60 -0.493 -3.357 -10.788 475 HE1 HIS 60 1HE HIS 60 -0.249 -7.377 -12.137 476 H THR 61 H THR 61 -3.299 -3.953 -6.652 477 HA THR 61 HA THR 61 -6.108 -3.293 -6.701 478 HB THR 61 HB THR 61 -4.332 -3.983 -4.321 479 HG1 THR 61 1HG THR 61 -4.275 -5.630 -5.831 480 1HG2 THR 61 1HG2 THR 61 -6.498 -4.755 -3.357 481 2HG2 THR 61 2HG2 THR 61 -6.522 -3.015 -3.666 482 3HG2 THR 61 3HG2 THR 61 -7.355 -4.129 -4.775 483 H ILE 62 H ILE 62 -3.212 -1.760 -5.291 484 HA ILE 62 HA ILE 62 -4.488 0.379 -3.941 485 HB ILE 62 HB ILE 62 -1.749 0.214 -5.241 486 1HG1 ILE 62 2HG1 ILE 62 -2.268 -1.489 -3.359 487 2HG1 ILE 62 3HG1 ILE 62 -0.830 -0.474 -3.206 488 1HG2 ILE 62 1HG2 ILE 62 -2.250 2.538 -4.885 489 2HG2 ILE 62 2HG2 ILE 62 -2.971 2.218 -3.304 490 3HG2 ILE 62 3HG2 ILE 62 -1.216 2.033 -3.543 491 1HD1 ILE 62 1HD1 ILE 62 -2.059 -0.740 -1.136 492 2HD1 ILE 62 2HD1 ILE 62 -2.052 0.960 -1.612 493 3HD1 ILE 62 3HD1 ILE 62 -3.518 -0.029 -1.884 494 H GLU 63 H GLU 63 -3.202 0.177 -7.336 495 HA GLU 63 HA GLU 63 -3.964 2.715 -8.202 496 1HB GLU 63 2HB GLU 63 -2.529 1.051 -9.331 497 2HB GLU 63 3HB GLU 63 -3.927 0.052 -9.704 498 1HG GLU 63 2HG GLU 63 -3.600 2.939 -10.623 499 2HG GLU 63 3HG GLU 63 -3.030 1.512 -11.507 500 H SER 64 H SER 64 -5.755 -0.355 -8.523 501 HA SER 64 HA SER 64 -8.107 0.629 -9.547 502 1HB SER 64 2HB SER 64 -7.443 -1.714 -9.427 503 2HB SER 64 3HB SER 64 -7.812 -1.751 -7.688 504 HG SER 64 HG SER 64 -9.653 -1.139 -9.773 505 H LEU 65 H LEU 65 -7.248 0.426 -6.083 506 HA LEU 65 HA LEU 65 -9.789 1.222 -5.054 507 1HB LEU 65 2HB LEU 65 -6.971 1.399 -3.950 508 2HB LEU 65 3HB LEU 65 -8.376 1.892 -3.008 509 HG LEU 65 HG LEU 65 -8.158 -0.903 -4.185 510 1HD1 LEU 65 1HD1 LEU 65 -7.367 -1.606 -1.954 511 2HD1 LEU 65 2HD1 LEU 65 -6.221 -0.485 -2.692 512 3HD1 LEU 65 3HD1 LEU 65 -7.322 0.088 -1.423 513 1HD2 LEU 65 1HD2 LEU 65 -9.796 -1.474 -2.486 514 2HD2 LEU 65 2HD2 LEU 65 -9.789 0.181 -1.856 515 3HD2 LEU 65 3HD2 LEU 65 -10.440 -0.169 -3.474 516 H GLY 66 H GLY 66 -7.462 3.084 -6.773 517 1HA GLY 66 2HA GLY 66 -8.208 5.046 -7.790 518 2HA GLY 66 1HA GLY 66 -9.230 5.446 -6.405 519 H PHE 67 H PHE 67 -5.752 4.586 -6.781 520 HA PHE 67 HA PHE 67 -4.915 7.239 -5.791 521 1HB PHE 67 2HB PHE 67 -3.956 4.609 -4.585 522 2HB PHE 67 3HB PHE 67 -3.459 6.244 -4.116 523 HD1 PHE 67 1HD PHE 67 -5.649 3.570 -3.271 524 HD2 PHE 67 2HD PHE 67 -5.415 7.858 -3.437 525 HE1 PHE 67 1HE PHE 67 -7.409 3.734 -1.531 526 HE2 PHE 67 2HE PHE 67 -7.311 8.029 -1.844 527 HZ PHE 67 HZ PHE 67 -8.235 5.986 -0.810 528 H GLU 68 H GLU 68 -2.449 7.383 -6.026 529 HA GLU 68 HA GLU 68 -1.660 5.998 -8.557 530 1HB GLU 68 2HB GLU 68 -0.599 8.565 -7.366 531 2HB GLU 68 3HB GLU 68 -0.213 7.875 -8.938 532 1HG GLU 68 2HG GLU 68 -2.561 8.206 -9.671 533 2HG GLU 68 3HG GLU 68 -2.967 8.895 -8.086 534 HA PRO 69 HA PRO 69 1.245 4.205 -5.457 535 1HB PRO 69 2HB PRO 69 1.489 1.694 -6.535 536 2HB PRO 69 3HB PRO 69 0.254 2.187 -5.353 537 1HG PRO 69 2HG PRO 69 -0.022 1.968 -8.339 538 2HG PRO 69 3HG PRO 69 -1.161 1.444 -7.065 539 1HD PRO 69 2HD PRO 69 -1.431 3.783 -8.481 540 2HD PRO 69 3HD PRO 69 -1.945 3.653 -6.778 541 H SER 70 H SER 70 3.334 4.852 -5.768 542 HA SER 70 HA SER 70 4.813 3.774 -8.072 543 1HB SER 70 2HB SER 70 4.008 5.978 -8.871 544 2HB SER 70 3HB SER 70 4.759 6.760 -7.463 545 HG SER 70 HG SER 70 6.104 6.757 -9.368 546 H LEU 71 H LEU 71 7.130 3.829 -7.675 547 HA LEU 71 HA LEU 71 7.505 3.108 -4.851 548 1HB LEU 71 2HB LEU 71 9.207 2.716 -7.329 549 2HB LEU 71 3HB LEU 71 9.605 2.036 -5.743 550 HG LEU 71 HG LEU 71 6.875 1.547 -6.936 551 1HD1 LEU 71 1HD1 LEU 71 7.736 -0.542 -7.977 552 2HD1 LEU 71 2HD1 LEU 71 8.475 0.894 -8.707 553 3HD1 LEU 71 3HD1 LEU 71 9.394 -0.077 -7.536 554 1HD2 LEU 71 1HD2 LEU 71 7.032 -0.544 -5.617 555 2HD2 LEU 71 2HD2 LEU 71 8.661 -0.087 -5.079 556 3HD2 LEU 71 3HD2 LEU 71 7.255 0.878 -4.589 557 H VAL 72 H VAL 72 7.275 5.776 -5.115 558 HA VAL 72 HA VAL 72 9.942 7.048 -5.091 559 HB VAL 72 HB VAL 72 7.273 8.332 -4.435 560 1HG1 VAL 72 1HG1 VAL 72 8.433 10.403 -5.069 561 2HG1 VAL 72 2HG1 VAL 72 9.229 9.625 -3.700 562 3HG1 VAL 72 3HG1 VAL 72 9.941 9.500 -5.323 563 1HG2 VAL 72 1HG2 VAL 72 7.137 7.387 -6.701 564 2HG2 VAL 72 2HG2 VAL 72 7.332 9.139 -6.788 565 3HG2 VAL 72 3HG2 VAL 72 8.722 8.081 -7.104 566 H LYS 73 H LYS 73 10.489 5.361 -3.435 567 HA LYS 73 HA LYS 73 9.594 5.385 -0.787 568 1HB LYS 73 2HB LYS 73 11.754 4.375 -0.201 569 2HB LYS 73 3HB LYS 73 11.021 3.661 -1.643 570 1HG LYS 73 2HG LYS 73 12.569 5.039 -3.076 571 2HG LYS 73 3HG LYS 73 13.331 5.657 -1.594 572 1HD LYS 73 2HD LYS 73 13.909 3.345 -0.927 573 2HD LYS 73 3HD LYS 73 13.152 2.730 -2.413 574 1HE LYS 73 2HE LYS 73 14.762 4.064 -3.783 575 2HE LYS 73 3HE LYS 73 15.522 4.670 -2.301 576 1HZ LYS 73 1HZ LYS 73 16.737 2.846 -3.237 577 2HZ LYS 73 2HZ LYS 73 16.140 2.410 -1.769 578 3HZ LYS 73 3HZ LYS 73 15.435 1.848 -3.148 579 H ILE 74 H ILE 74 11.848 7.616 -2.346 580 HA ILE 74 HA ILE 74 11.496 9.522 -0.185 581 HB ILE 74 HB ILE 74 13.846 10.187 -0.160 582 1HG1 ILE 74 2HG1 ILE 74 15.464 8.188 -0.998 583 2HG1 ILE 74 3HG1 ILE 74 14.205 8.016 -2.221 584 1HG2 ILE 74 1HG2 ILE 74 13.002 8.600 1.537 585 2HG2 ILE 74 2HG2 ILE 74 13.626 7.248 0.562 586 3HG2 ILE 74 3HG2 ILE 74 14.741 8.456 1.231 587 1HD1 ILE 74 1HD1 ILE 74 14.526 10.436 -2.816 588 2HD1 ILE 74 2HD1 ILE 74 15.745 10.560 -1.530 589 3HD1 ILE 74 3HD1 ILE 74 16.034 9.516 -2.936 590 H GLU 75 H GLU 75 12.128 11.758 -1.098 591 HA GLU 75 HA GLU 75 12.254 12.028 -3.947 592 1HB GLU 75 2HB GLU 75 9.721 11.796 -3.129 593 2HB GLU 75 3HB GLU 75 9.981 13.404 -2.453 594 1HG GLU 75 2HG GLU 75 10.554 14.245 -4.711 595 2HG GLU 75 3HG GLU 75 10.375 12.613 -5.379 Start of MODEL 15 1 1H MET 1 H1 MET 1 12.774 -9.624 6.864 2 2H MET 1 H2 MET 1 13.873 -8.394 6.906 3 3H MET 1 H3 MET 1 13.043 -8.781 5.518 4 HA MET 1 HA MET 1 15.351 -9.482 5.470 5 1HB MET 1 2HB MET 1 15.537 -10.126 7.836 6 2HB MET 1 3HB MET 1 14.367 -11.430 7.616 7 1HG MET 1 2HG MET 1 16.660 -12.283 7.619 8 2HG MET 1 3HG MET 1 15.928 -12.550 6.037 9 1HE MET 1 1HE MET 1 18.238 -13.086 4.942 10 2HE MET 1 2HE MET 1 19.678 -12.057 5.123 11 3HE MET 1 3HE MET 1 19.006 -12.898 6.541 12 H GLY 2 H GLY 2 13.128 -12.239 6.168 13 1HA GLY 2 2HA GLY 2 12.913 -12.977 3.338 14 2HA GLY 2 1HA GLY 2 11.957 -13.598 4.700 15 H ASP 3 H ASP 3 10.989 -11.314 5.869 16 HA ASP 3 HA ASP 3 8.943 -10.252 4.121 17 1HB ASP 3 2HB ASP 3 8.380 -8.954 6.101 18 2HB ASP 3 3HB ASP 3 8.746 -10.599 6.640 19 H GLY 4 H GLY 4 8.789 -7.835 3.892 20 1HA GLY 4 2HA GLY 4 11.049 -6.139 4.324 21 2HA GLY 4 1HA GLY 4 10.832 -6.500 2.588 22 H VAL 5 H VAL 5 10.262 -4.106 2.501 23 HA VAL 5 HA VAL 5 7.370 -4.070 2.414 24 HB VAL 5 HB VAL 5 7.170 -1.731 3.102 25 1HG1 VAL 5 1HG1 VAL 5 7.292 -2.015 5.500 26 2HG1 VAL 5 2HG1 VAL 5 6.801 -3.549 4.753 27 3HG1 VAL 5 3HG1 VAL 5 8.466 -3.336 5.331 28 1HG2 VAL 5 1HG2 VAL 5 9.466 -0.907 2.699 29 2HG2 VAL 5 2HG2 VAL 5 8.928 -0.564 4.350 30 3HG2 VAL 5 3HG2 VAL 5 10.064 -1.895 4.049 31 H LEU 6 H LEU 6 6.620 -2.883 0.677 32 HA LEU 6 HA LEU 6 8.656 -1.658 -1.129 33 1HB LEU 6 2HB LEU 6 7.718 -3.744 -2.068 34 2HB LEU 6 3HB LEU 6 6.079 -3.108 -1.910 35 HG LEU 6 HG LEU 6 7.032 -3.068 -4.191 36 1HD1 LEU 6 1HD1 LEU 6 6.234 -0.944 -4.888 37 2HD1 LEU 6 2HD1 LEU 6 5.230 -1.463 -3.525 38 3HD1 LEU 6 3HD1 LEU 6 6.486 -0.223 -3.298 39 1HD2 LEU 6 1HD2 LEU 6 9.391 -2.534 -3.556 40 2HD2 LEU 6 2HD2 LEU 6 8.749 -1.543 -4.877 41 3HD2 LEU 6 3HD2 LEU 6 8.891 -0.851 -3.254 42 H GLU 7 H GLU 7 8.400 0.338 -0.002 43 HA GLU 7 HA GLU 7 5.765 1.332 0.602 44 1HB GLU 7 2HB GLU 7 8.324 2.955 0.352 45 2HB GLU 7 3HB GLU 7 6.805 3.393 1.154 46 1HG GLU 7 2HG GLU 7 7.204 1.430 2.731 47 2HG GLU 7 3HG GLU 7 8.854 1.360 2.073 48 H LEU 8 H LEU 8 4.574 2.916 -0.501 49 HA LEU 8 HA LEU 8 5.595 3.985 -3.011 50 1HB LEU 8 2HB LEU 8 3.951 3.095 -4.482 51 2HB LEU 8 3HB LEU 8 4.754 1.755 -3.691 52 HG LEU 8 HG LEU 8 1.942 2.776 -3.272 53 1HD1 LEU 8 1HD1 LEU 8 1.342 0.579 -4.074 54 2HD1 LEU 8 2HD1 LEU 8 2.654 1.156 -5.128 55 3HD1 LEU 8 3HD1 LEU 8 3.001 -0.024 -3.869 56 1HD2 LEU 8 1HD2 LEU 8 2.714 2.211 -1.014 57 2HD2 LEU 8 2HD2 LEU 8 1.592 1.007 -1.629 58 3HD2 LEU 8 3HD2 LEU 8 3.342 0.654 -1.590 59 H VAL 9 H VAL 9 4.586 5.875 -3.627 60 HA VAL 9 HA VAL 9 2.970 7.120 -1.479 61 HB VAL 9 HB VAL 9 4.888 8.215 -3.533 62 1HG1 VAL 9 1HG1 VAL 9 2.953 9.800 -1.799 63 2HG1 VAL 9 2HG1 VAL 9 4.295 10.482 -2.730 64 3HG1 VAL 9 3HG1 VAL 9 2.929 9.742 -3.580 65 1HG2 VAL 9 1HG2 VAL 9 5.667 7.399 -1.238 66 2HG2 VAL 9 2HG2 VAL 9 5.964 9.126 -1.533 67 3HG2 VAL 9 3HG2 VAL 9 4.608 8.615 -0.512 68 H VAL 10 H VAL 10 0.954 7.759 -1.839 69 HA VAL 10 HA VAL 10 -0.307 6.988 -4.444 70 HB VAL 10 HB VAL 10 -2.070 5.919 -2.858 71 1HG1 VAL 10 1HG1 VAL 10 -0.736 3.783 -2.848 72 2HG1 VAL 10 2HG1 VAL 10 -0.833 4.588 -4.422 73 3HG1 VAL 10 3HG1 VAL 10 0.649 4.705 -3.415 74 1HG2 VAL 10 1HG2 VAL 10 -0.832 6.781 -0.804 75 2HG2 VAL 10 2HG2 VAL 10 -1.275 5.051 -0.827 76 3HG2 VAL 10 3HG2 VAL 10 0.399 5.546 -1.154 77 H ARG 11 H ARG 11 -0.251 9.281 -4.725 78 HA ARG 11 HA ARG 11 -1.989 10.976 -3.131 79 1HB ARG 11 2HB ARG 11 -1.886 12.535 -5.143 80 2HB ARG 11 3HB ARG 11 -0.392 12.212 -4.250 81 1HG ARG 11 2HG ARG 11 0.413 10.692 -5.906 82 2HG ARG 11 3HG ARG 11 -1.176 10.717 -6.743 83 1HD ARG 11 2HD ARG 11 -0.787 13.024 -7.416 84 2HD ARG 11 3HD ARG 11 0.756 13.041 -6.510 85 HE ARG 11 HE ARG 11 0.808 10.802 -8.290 86 1HH1 ARG 11 2HH2 ARG 11 0.866 14.318 -8.562 87 2HH1 ARG 11 1HH2 ARG 11 1.766 14.311 -10.053 88 1HH2 ARG 11 2HH1 ARG 11 1.891 10.729 -10.059 89 2HH2 ARG 11 1HH1 ARG 11 2.411 12.133 -10.998 90 H GLY 12 H GLY 12 -4.018 11.853 -3.760 91 1HA GLY 12 2HA GLY 12 -6.167 11.466 -4.945 92 2HA GLY 12 1HA GLY 12 -5.789 9.738 -4.949 93 H MET 13 H MET 13 -4.471 9.925 -2.232 94 HA MET 13 HA MET 13 -6.665 9.637 -0.439 95 1HB MET 13 2HB MET 13 -3.759 10.365 -0.030 96 2HB MET 13 3HB MET 13 -4.881 10.081 1.310 97 1HG MET 13 2HG MET 13 -5.117 7.784 0.782 98 2HG MET 13 3HG MET 13 -4.431 7.979 -0.834 99 1HE MET 13 1HE MET 13 -1.738 8.416 2.884 100 2HE MET 13 2HE MET 13 -2.790 9.695 2.267 101 3HE MET 13 3HE MET 13 -3.509 8.244 3.036 102 H THR 14 H THR 14 -7.574 11.159 1.054 103 HA THR 14 HA THR 14 -6.737 13.863 1.222 104 HB THR 14 HB THR 14 -7.534 14.174 -1.013 105 HG1 THR 14 1HG THR 14 -8.060 15.802 0.447 106 1HG2 THR 14 1HG2 THR 14 -10.304 13.169 -0.261 107 2HG2 THR 14 2HG2 THR 14 -9.719 13.728 -1.826 108 3HG2 THR 14 3HG2 THR 14 -9.113 12.203 -1.174 109 H CYS 15 H CYS 15 -9.782 11.901 1.303 110 HA CYS 15 HA CYS 15 -10.617 13.182 3.801 111 1HB CYS 15 2HB CYS 15 -12.283 12.385 2.116 112 2HB CYS 15 3HB CYS 15 -11.682 10.725 2.346 113 HG CYS 15 HG CYS 15 -13.795 10.727 3.671 114 H ALA 16 H ALA 16 -10.577 12.144 5.867 115 HA ALA 16 HA ALA 16 -8.476 10.522 6.648 116 1HB ALA 16 1HB ALA 16 -11.288 10.620 7.824 117 2HB ALA 16 2HB ALA 16 -9.835 10.011 8.645 118 3HB ALA 16 3HB ALA 16 -9.949 11.727 8.206 119 H SER 17 H SER 17 -11.681 9.460 5.428 120 HA SER 17 HA SER 17 -11.548 6.688 5.928 121 1HB SER 17 2HB SER 17 -13.015 6.504 3.931 122 2HB SER 17 3HB SER 17 -13.542 7.731 5.100 123 HG SER 17 HG SER 17 -13.536 8.388 2.825 124 H CYS 18 H CYS 18 -10.020 8.604 3.328 125 HA CYS 18 HA CYS 18 -9.163 6.514 1.619 126 1HB CYS 18 2HB CYS 18 -7.739 9.136 2.164 127 2HB CYS 18 3HB CYS 18 -7.397 7.950 0.908 128 HG CYS 18 HG CYS 18 -8.665 9.731 -0.379 129 H VAL 19 H VAL 19 -7.861 7.389 4.793 130 HA VAL 19 HA VAL 19 -5.455 5.890 4.581 131 HB VAL 19 HB VAL 19 -7.242 6.472 6.976 132 1HG1 VAL 19 1HG1 VAL 19 -4.385 5.448 7.007 133 2HG1 VAL 19 2HG1 VAL 19 -5.363 5.930 8.398 134 3HG1 VAL 19 3HG1 VAL 19 -5.818 4.504 7.463 135 1HG2 VAL 19 1HG2 VAL 19 -5.534 8.185 7.482 136 2HG2 VAL 19 2HG2 VAL 19 -4.662 7.765 5.993 137 3HG2 VAL 19 3HG2 VAL 19 -6.279 8.495 5.909 138 H HIS 20 H HIS 20 -8.603 4.843 6.087 139 HA HIS 20 HA HIS 20 -7.652 2.145 6.200 140 1HB HIS 20 2HB HIS 20 -9.251 1.870 7.661 141 2HB HIS 20 3HB HIS 20 -9.619 3.577 7.506 142 HD1 HIS 20 1HD HIS 20 -11.174 0.294 7.205 143 HD2 HIS 20 2HD HIS 20 -11.457 3.938 5.188 144 HE1 HIS 20 1HE HIS 20 -13.462 0.321 6.023 145 H LYS 21 H LYS 21 -9.468 3.939 3.827 146 HA LYS 21 HA LYS 21 -10.564 1.974 2.178 147 1HB LYS 21 2HB LYS 21 -10.186 4.658 2.071 148 2HB LYS 21 3HB LYS 21 -8.976 4.193 0.898 149 1HG LYS 21 2HG LYS 21 -11.967 3.565 0.837 150 2HG LYS 21 3HG LYS 21 -11.169 4.905 0.016 151 1HD LYS 21 2HD LYS 21 -9.735 3.011 -1.170 152 2HD LYS 21 3HD LYS 21 -11.013 1.947 -0.585 153 1HE LYS 21 2HE LYS 21 -11.814 2.565 -2.742 154 2HE LYS 21 3HE LYS 21 -12.679 3.656 -1.663 155 1HZ LYS 21 1HZ LYS 21 -10.839 5.293 -2.220 156 2HZ LYS 21 2HZ LYS 21 -10.355 4.231 -3.390 157 3HZ LYS 21 3HZ LYS 21 -11.831 4.881 -3.468 158 H ILE 22 H ILE 22 -7.185 2.890 2.692 159 HA ILE 22 HA ILE 22 -6.163 1.014 0.624 160 HB ILE 22 HB ILE 22 -4.839 3.036 2.489 161 1HG1 ILE 22 2HG1 ILE 22 -5.220 3.036 -0.503 162 2HG1 ILE 22 3HG1 ILE 22 -6.213 3.952 0.661 163 1HG2 ILE 22 1HG2 ILE 22 -3.631 1.338 0.295 164 2HG2 ILE 22 2HG2 ILE 22 -2.801 2.618 1.213 165 3HG2 ILE 22 3HG2 ILE 22 -3.332 1.159 2.046 166 1HD1 ILE 22 1HD1 ILE 22 -4.351 5.301 1.319 167 2HD1 ILE 22 2HD1 ILE 22 -3.292 4.469 0.135 168 3HD1 ILE 22 3HD1 ILE 22 -4.667 5.423 -0.419 169 H GLU 23 H GLU 23 -5.746 1.826 4.067 170 HA GLU 23 HA GLU 23 -4.206 -0.342 4.759 171 1HB GLU 23 2HB GLU 23 -5.205 1.920 6.022 172 2HB GLU 23 3HB GLU 23 -5.976 0.650 6.960 173 1HG GLU 23 2HG GLU 23 -3.813 -0.266 7.562 174 2HG GLU 23 3HG GLU 23 -2.989 0.699 6.318 175 H SER 24 H SER 24 -7.748 -0.107 5.469 176 HA SER 24 HA SER 24 -7.965 -2.784 6.449 177 1HB SER 24 2HB SER 24 -10.131 -1.033 5.214 178 2HB SER 24 3HB SER 24 -10.358 -2.433 6.269 179 HG SER 24 HG SER 24 -8.944 -1.144 7.786 180 H SER 25 H SER 25 -8.165 -1.366 3.200 181 HA SER 25 HA SER 25 -9.324 -3.670 1.921 182 1HB SER 25 2HB SER 25 -9.290 -1.416 0.937 183 2HB SER 25 3HB SER 25 -7.538 -1.521 0.701 184 HG SER 25 HG SER 25 -9.557 -3.171 -0.448 185 H LEU 26 H LEU 26 -5.955 -2.663 2.629 186 HA LEU 26 HA LEU 26 -4.744 -4.919 1.317 187 1HB LEU 26 2HB LEU 26 -3.760 -2.900 3.243 188 2HB LEU 26 3HB LEU 26 -2.765 -4.268 2.698 189 HG LEU 26 HG LEU 26 -4.169 -2.495 0.708 190 1HD1 LEU 26 1HD1 LEU 26 -2.103 -1.159 0.578 191 2HD1 LEU 26 2HD1 LEU 26 -2.768 -1.128 2.226 192 3HD1 LEU 26 3HD1 LEU 26 -1.383 -2.182 1.840 193 1HD2 LEU 26 1HD2 LEU 26 -3.346 -4.424 -0.388 194 2HD2 LEU 26 2HD2 LEU 26 -2.129 -3.195 -0.696 195 3HD2 LEU 26 3HD2 LEU 26 -1.824 -4.421 0.544 196 H THR 27 H THR 27 -5.142 -4.079 4.792 197 HA THR 27 HA THR 27 -3.955 -6.444 5.793 198 HB THR 27 HB THR 27 -4.673 -5.616 7.968 199 HG1 THR 27 1HG THR 27 -6.678 -4.806 7.251 200 1HG2 THR 27 1HG2 THR 27 -3.466 -3.496 7.945 201 2HG2 THR 27 2HG2 THR 27 -2.634 -4.671 6.907 202 3HG2 THR 27 3HG2 THR 27 -3.610 -3.377 6.186 203 H LYS 28 H LYS 28 -5.324 -7.876 4.430 204 HA LYS 28 HA LYS 28 -7.233 -9.412 5.838 205 1HB LYS 28 2HB LYS 28 -9.268 -8.931 4.520 206 2HB LYS 28 3HB LYS 28 -8.776 -7.599 5.548 207 1HG LYS 28 2HG LYS 28 -9.349 -6.467 3.679 208 2HG LYS 28 3HG LYS 28 -7.630 -6.598 3.459 209 1HD LYS 28 2HD LYS 28 -7.891 -7.661 1.497 210 2HD LYS 28 3HD LYS 28 -8.880 -8.935 2.213 211 1HE LYS 28 2HE LYS 28 -9.864 -6.199 1.268 212 2HE LYS 28 3HE LYS 28 -10.018 -7.712 0.368 213 1HZ LYS 28 1HZ LYS 28 -11.381 -8.579 2.140 214 2HZ LYS 28 2HZ LYS 28 -11.239 -7.183 2.997 215 3HZ LYS 28 3HZ LYS 28 -12.029 -7.184 1.553 216 H HIS 29 H HIS 29 -5.895 -8.398 2.618 217 HA HIS 29 HA HIS 29 -6.733 -10.951 1.468 218 1HB HIS 29 2HB HIS 29 -5.558 -10.329 -0.505 219 2HB HIS 29 3HB HIS 29 -6.533 -8.975 0.054 220 HD1 HIS 29 1HD HIS 29 -2.796 -10.095 0.179 221 HD2 HIS 29 2HD HIS 29 -5.304 -6.697 0.115 222 HE1 HIS 29 1HE HIS 29 -1.274 -8.055 -0.048 223 H ARG 30 H ARG 30 -5.382 -12.681 0.834 224 HA ARG 30 HA ARG 30 -3.544 -13.569 2.750 225 1HB ARG 30 2HB ARG 30 -4.742 -15.022 1.151 226 2HB ARG 30 3HB ARG 30 -3.759 -14.387 -0.183 227 1HG ARG 30 2HG ARG 30 -1.726 -15.334 0.815 228 2HG ARG 30 3HG ARG 30 -2.631 -15.826 2.262 229 1HD ARG 30 2HD ARG 30 -3.985 -17.369 0.920 230 2HD ARG 30 3HD ARG 30 -3.157 -16.898 -0.557 231 HE ARG 30 HE ARG 30 -2.239 -18.669 1.587 232 1HH1 ARG 30 2HH2 ARG 30 -1.134 -16.647 -1.086 233 2HH1 ARG 30 1HH2 ARG 30 0.358 -17.502 -1.328 234 1HH2 ARG 30 2HH1 ARG 30 -0.213 -19.760 1.364 235 2HH2 ARG 30 1HH1 ARG 30 0.918 -19.265 0.151 236 H GLY 31 H GLY 31 -1.278 -13.694 2.811 237 1HA GLY 31 2HA GLY 31 0.873 -13.417 2.096 238 2HA GLY 31 1HA GLY 31 0.362 -12.486 0.688 239 H ILE 32 H ILE 32 -1.326 -10.644 2.491 240 HA ILE 32 HA ILE 32 0.779 -8.869 3.276 241 HB ILE 32 HB ILE 32 -1.846 -8.509 2.516 242 1HG1 ILE 32 2HG1 ILE 32 -0.305 -6.751 2.295 243 2HG1 ILE 32 3HG1 ILE 32 -1.676 -6.185 3.257 244 1HG2 ILE 32 1HG2 ILE 32 -3.160 -7.772 4.298 245 2HG2 ILE 32 2HG2 ILE 32 -2.673 -9.420 4.670 246 3HG2 ILE 32 3HG2 ILE 32 -1.895 -8.054 5.505 247 1HD1 ILE 32 1HD1 ILE 32 0.367 -5.383 4.218 248 2HD1 ILE 32 2HD1 ILE 32 -0.294 -6.589 5.322 249 3HD1 ILE 32 3HD1 ILE 32 1.063 -6.975 4.223 250 H LEU 33 H LEU 33 1.398 -8.383 5.497 251 HA LEU 33 HA LEU 33 0.216 -10.086 7.651 252 1HB LEU 33 2HB LEU 33 2.944 -8.759 7.683 253 2HB LEU 33 3HB LEU 33 2.271 -9.883 8.851 254 HG LEU 33 HG LEU 33 2.932 -10.597 5.950 255 1HD1 LEU 33 1HD1 LEU 33 4.875 -11.763 6.894 256 2HD1 LEU 33 2HD1 LEU 33 4.949 -10.025 7.227 257 3HD1 LEU 33 3HD1 LEU 33 4.471 -11.155 8.515 258 1HD2 LEU 33 1HD2 LEU 33 2.194 -12.341 8.350 259 2HD2 LEU 33 2HD2 LEU 33 1.187 -12.072 6.912 260 3HD2 LEU 33 3HD2 LEU 33 2.720 -12.935 6.761 261 H TYR 34 H TYR 34 1.616 -6.824 6.896 262 HA TYR 34 HA TYR 34 -0.418 -5.546 8.630 263 1HB TYR 34 2HB TYR 34 1.404 -6.164 10.165 264 2HB TYR 34 3HB TYR 34 2.594 -5.460 9.104 265 HD1 TYR 34 HD1 TYR 34 3.197 -3.161 9.267 266 HD2 TYR 34 HD2 TYR 34 -0.365 -4.591 11.236 267 HE1 TYR 34 HE1 TYR 34 2.936 -0.976 10.386 268 HE2 TYR 34 HE2 TYR 34 -0.641 -2.374 12.325 269 HH TYR 34 HH TYR 34 1.315 0.404 11.397 270 H CYS 35 H CYS 35 -0.316 -3.071 8.351 271 HA CYS 35 HA CYS 35 1.386 -2.111 6.167 272 1HB CYS 35 2HB CYS 35 -1.609 -1.431 6.103 273 2HB CYS 35 3HB CYS 35 -0.358 -0.947 4.979 274 HG CYS 35 HG CYS 35 -1.913 -2.512 3.814 275 H SER 36 H SER 36 1.305 0.287 6.151 276 HA SER 36 HA SER 36 -0.685 1.453 7.824 277 1HB SER 36 2HB SER 36 2.137 2.470 8.340 278 2HB SER 36 3HB SER 36 0.620 3.033 9.062 279 HG SER 36 HG SER 36 0.595 0.533 9.580 280 H VAL 37 H VAL 37 -1.593 3.091 6.498 281 HA VAL 37 HA VAL 37 0.277 4.434 4.642 282 HB VAL 37 HB VAL 37 -1.756 3.225 3.719 283 1HG1 VAL 37 1HG1 VAL 37 -3.396 3.813 5.482 284 2HG1 VAL 37 2HG1 VAL 37 -3.237 5.535 5.038 285 3HG1 VAL 37 3HG1 VAL 37 -3.906 4.381 3.887 286 1HG2 VAL 37 1HG2 VAL 37 -0.613 4.958 2.455 287 2HG2 VAL 37 2HG2 VAL 37 -2.345 5.018 2.194 288 3HG2 VAL 37 3HG2 VAL 37 -1.573 6.213 3.260 289 H ALA 38 H ALA 38 0.517 6.660 4.706 290 HA ALA 38 HA ALA 38 -0.765 8.040 7.048 291 1HB ALA 38 1HB ALA 38 1.508 7.449 7.690 292 2HB ALA 38 2HB ALA 38 2.141 8.281 6.243 293 3HB ALA 38 3HB ALA 38 1.259 9.202 7.493 294 H LEU 39 H LEU 39 -1.588 9.905 6.668 295 HA LEU 39 HA LEU 39 -2.033 10.886 4.031 296 1HB LEU 39 2HB LEU 39 -2.385 12.217 6.739 297 2HB LEU 39 3HB LEU 39 -2.951 12.918 5.222 298 HG LEU 39 HG LEU 39 -3.877 10.201 6.255 299 1HD1 LEU 39 1HD1 LEU 39 -4.503 12.001 7.827 300 2HD1 LEU 39 2HD1 LEU 39 -5.206 12.932 6.482 301 3HD1 LEU 39 3HD1 LEU 39 -5.921 11.378 6.963 302 1HD2 LEU 39 1HD2 LEU 39 -5.786 10.622 4.679 303 2HD2 LEU 39 2HD2 LEU 39 -4.964 12.080 4.095 304 3HD2 LEU 39 3HD2 LEU 39 -4.248 10.478 3.831 305 H ALA 40 H ALA 40 -0.079 12.351 6.656 306 HA ALA 40 HA ALA 40 0.680 14.617 5.284 307 1HB ALA 40 1HB ALA 40 0.973 14.292 7.702 308 2HB ALA 40 2HB ALA 40 2.278 13.120 7.406 309 3HB ALA 40 3HB ALA 40 2.488 14.824 6.948 310 H THR 41 H THR 41 2.276 11.440 5.176 311 HA THR 41 HA THR 41 4.454 12.500 3.412 312 HB THR 41 HB THR 41 4.129 9.858 4.832 313 HG1 THR 41 1HG THR 41 4.416 11.913 6.074 314 1HG2 THR 41 1HG2 THR 41 6.632 9.766 4.482 315 2HG2 THR 41 2HG2 THR 41 5.757 9.700 2.936 316 3HG2 THR 41 3HG2 THR 41 6.522 11.211 3.466 317 H ASN 42 H ASN 42 1.337 11.169 3.207 318 HA ASN 42 HA ASN 42 0.137 10.098 1.746 319 1HB ASN 42 2HB ASN 42 0.664 12.190 0.514 320 2HB ASN 42 3HB ASN 42 2.026 11.386 -0.277 321 1HD2 ASN 42 1HD2 ASN 42 -1.388 10.343 0.391 322 2HD2 ASN 42 2HD2 ASN 42 -1.675 9.821 -1.242 323 H LYS 43 H LYS 43 2.392 8.553 2.819 324 HA LYS 43 HA LYS 43 3.006 6.718 0.564 325 1HB LYS 43 2HB LYS 43 4.724 5.766 1.844 326 2HB LYS 43 3HB LYS 43 4.990 7.504 1.682 327 1HG LYS 43 2HG LYS 43 4.550 7.897 3.968 328 2HG LYS 43 3HG LYS 43 3.679 6.388 4.200 329 1HD LYS 43 2HD LYS 43 5.853 6.282 5.265 330 2HD LYS 43 3HD LYS 43 5.663 5.061 3.999 331 1HE LYS 43 2HE LYS 43 6.999 6.427 2.436 332 2HE LYS 43 3HE LYS 43 7.189 7.698 3.628 333 1HZ LYS 43 1HZ LYS 43 7.952 5.007 4.430 334 2HZ LYS 43 2HZ LYS 43 8.860 5.575 3.299 335 3HZ LYS 43 3HZ LYS 43 8.760 6.426 4.738 336 H ALA 44 H ALA 44 2.462 4.595 0.614 337 HA ALA 44 HA ALA 44 1.249 3.471 3.103 338 1HB ALA 44 1HB ALA 44 -0.340 3.136 1.262 339 2HB ALA 44 2HB ALA 44 0.948 2.532 0.228 340 3HB ALA 44 3HB ALA 44 0.461 1.611 1.664 341 H HIS 45 H HIS 45 2.477 1.908 4.094 342 HA HIS 45 HA HIS 45 4.565 0.626 2.408 343 1HB HIS 45 2HB HIS 45 5.874 0.099 4.218 344 2HB HIS 45 3HB HIS 45 5.453 1.778 4.545 345 HD1 HIS 45 1HD HIS 45 4.661 2.103 7.006 346 HD2 HIS 45 2HD HIS 45 4.246 -1.827 5.563 347 HE1 HIS 45 1HE HIS 45 4.000 0.659 8.995 348 H ILE 46 H ILE 46 4.457 -1.634 2.453 349 HA ILE 46 HA ILE 46 2.092 -2.868 3.771 350 HB ILE 46 HB ILE 46 3.210 -3.644 1.060 351 1HG1 ILE 46 2HG1 ILE 46 0.781 -2.852 0.364 352 2HG1 ILE 46 3HG1 ILE 46 0.910 -1.789 1.768 353 1HG2 ILE 46 1HG2 ILE 46 1.328 -5.119 0.928 354 2HG2 ILE 46 2HG2 ILE 46 2.020 -5.356 2.537 355 3HG2 ILE 46 3HG2 ILE 46 0.559 -4.357 2.319 356 1HD1 ILE 46 1HD1 ILE 46 2.785 -0.608 0.738 357 2HD1 ILE 46 2HD1 ILE 46 2.983 -1.887 -0.479 358 3HD1 ILE 46 3HD1 ILE 46 1.541 -0.853 -0.492 359 H LYS 47 H LYS 47 2.805 -4.317 5.138 360 HA LYS 47 HA LYS 47 5.497 -5.613 4.964 361 1HB LYS 47 2HB LYS 47 3.603 -4.928 7.182 362 2HB LYS 47 3HB LYS 47 4.484 -6.440 7.335 363 1HG LYS 47 2HG LYS 47 5.865 -3.801 6.762 364 2HG LYS 47 3HG LYS 47 5.440 -4.325 8.389 365 1HD LYS 47 2HD LYS 47 6.641 -6.488 8.052 366 2HD LYS 47 3HD LYS 47 7.226 -5.924 6.480 367 1HE LYS 47 2HE LYS 47 8.553 -4.187 7.505 368 2HE LYS 47 3HE LYS 47 7.759 -4.405 9.073 369 1HZ LYS 47 1HZ LYS 47 9.465 -6.495 7.822 370 2HZ LYS 47 2HZ LYS 47 9.957 -5.435 8.965 371 3HZ LYS 47 3HZ LYS 47 8.788 -6.539 9.283 372 H TYR 48 H TYR 48 4.799 -6.824 3.160 373 HA TYR 48 HA TYR 48 2.973 -9.084 3.731 374 1HB TYR 48 2HB TYR 48 2.412 -9.156 1.387 375 2HB TYR 48 3HB TYR 48 2.109 -7.522 1.934 376 HD1 TYR 48 HD1 TYR 48 4.122 -5.803 1.532 377 HD2 TYR 48 HD2 TYR 48 3.501 -9.444 -0.660 378 HE1 TYR 48 HE1 TYR 48 5.569 -4.946 -0.264 379 HE2 TYR 48 HE2 TYR 48 4.780 -8.487 -2.560 380 HH TYR 48 HH TYR 48 6.466 -5.367 -2.346 381 H ASP 49 H ASP 49 3.598 -11.080 2.494 382 HA ASP 49 HA ASP 49 6.537 -11.422 2.321 383 1HB ASP 49 2HB ASP 49 5.358 -13.193 3.421 384 2HB ASP 49 3HB ASP 49 4.223 -13.321 2.071 385 HA PRO 50 HA PRO 50 5.775 -10.348 -2.034 386 1HB PRO 50 2HB PRO 50 8.336 -10.432 -2.991 387 2HB PRO 50 3HB PRO 50 7.722 -9.101 -1.967 388 1HG PRO 50 2HG PRO 50 9.289 -11.539 -1.077 389 2HG PRO 50 3HG PRO 50 9.619 -9.827 -0.678 390 1HD PRO 50 2HD PRO 50 8.269 -11.458 1.002 391 2HD PRO 50 3HD PRO 50 7.767 -9.748 0.826 392 H GLU 51 H GLU 51 7.231 -13.394 -0.869 393 HA GLU 51 HA GLU 51 7.495 -14.338 -3.655 394 1HB GLU 51 2HB GLU 51 9.223 -14.592 -1.730 395 2HB GLU 51 3HB GLU 51 8.205 -15.932 -1.187 396 1HG GLU 51 2HG GLU 51 8.530 -17.040 -3.391 397 2HG GLU 51 3HG GLU 51 9.423 -15.628 -3.985 398 H ILE 52 H ILE 52 4.861 -13.821 -2.554 399 HA ILE 52 HA ILE 52 3.638 -16.365 -3.319 400 HB ILE 52 HB ILE 52 1.953 -16.185 -1.422 401 1HG1 ILE 52 2HG1 ILE 52 4.167 -14.594 -0.099 402 2HG1 ILE 52 3HG1 ILE 52 2.537 -14.034 -0.466 403 1HG2 ILE 52 1HG2 ILE 52 3.765 -17.963 -1.753 404 2HG2 ILE 52 2HG2 ILE 52 4.721 -17.070 -0.551 405 3HG2 ILE 52 3HG2 ILE 52 3.155 -17.780 -0.116 406 1HD1 ILE 52 1HD1 ILE 52 2.592 -14.695 1.882 407 2HD1 ILE 52 2HD1 ILE 52 1.621 -15.885 1.008 408 3HD1 ILE 52 3HD1 ILE 52 3.296 -16.249 1.498 409 H ILE 53 H ILE 53 2.929 -13.039 -2.294 410 HA ILE 53 HA ILE 53 0.763 -13.005 -4.357 411 HB ILE 53 HB ILE 53 -0.073 -12.419 -2.267 412 1HG1 ILE 53 2HG1 ILE 53 0.201 -9.952 -4.004 413 2HG1 ILE 53 3HG1 ILE 53 -0.890 -11.310 -4.331 414 1HG2 ILE 53 1HG2 ILE 53 1.571 -9.906 -1.969 415 2HG2 ILE 53 2HG2 ILE 53 0.546 -10.730 -0.813 416 3HG2 ILE 53 3HG2 ILE 53 2.097 -11.446 -1.240 417 1HD1 ILE 53 1HD1 ILE 53 -0.984 -9.417 -1.957 418 2HD1 ILE 53 2HD1 ILE 53 -2.142 -9.516 -3.292 419 3HD1 ILE 53 3HD1 ILE 53 -2.021 -10.857 -2.132 420 H GLY 54 H GLY 54 2.779 -10.241 -3.324 421 1HA GLY 54 2HA GLY 54 4.854 -9.959 -4.637 422 2HA GLY 54 1HA GLY 54 3.875 -10.083 -6.103 423 HA PRO 55 HA PRO 55 4.155 -5.604 -4.575 424 1HB PRO 55 2HB PRO 55 5.885 -4.621 -6.499 425 2HB PRO 55 3HB PRO 55 6.400 -5.298 -4.934 426 1HG PRO 55 2HG PRO 55 6.336 -6.704 -7.605 427 2HG PRO 55 3HG PRO 55 7.633 -6.710 -6.381 428 1HD PRO 55 2HD PRO 55 5.844 -8.759 -6.554 429 2HD PRO 55 3HD PRO 55 6.417 -8.188 -4.964 430 H ARG 56 H ARG 56 4.256 -6.801 -7.955 431 HA ARG 56 HA ARG 56 2.782 -4.834 -9.246 432 1HB ARG 56 2HB ARG 56 2.023 -6.688 -10.816 433 2HB ARG 56 3HB ARG 56 3.735 -6.410 -10.619 434 1HG ARG 56 2HG ARG 56 3.936 -8.629 -10.382 435 2HG ARG 56 3HG ARG 56 3.350 -8.408 -8.740 436 1HD ARG 56 2HD ARG 56 0.973 -8.654 -9.814 437 2HD ARG 56 3HD ARG 56 1.822 -9.396 -11.165 438 HE ARG 56 HE ARG 56 1.600 -10.238 -8.308 439 1HH1 ARG 56 2HH2 ARG 56 2.916 -11.160 -11.438 440 2HH1 ARG 56 1HH2 ARG 56 3.390 -12.754 -10.922 441 1HH2 ARG 56 2HH1 ARG 56 2.277 -12.203 -7.565 442 2HH2 ARG 56 1HH1 ARG 56 2.949 -13.392 -8.637 443 H ASP 57 H ASP 57 1.469 -7.672 -7.471 444 HA ASP 57 HA ASP 57 -1.241 -7.315 -7.955 445 1HB ASP 57 2HB ASP 57 -0.130 -8.133 -5.244 446 2HB ASP 57 3HB ASP 57 -1.589 -8.711 -6.053 447 H ILE 58 H ILE 58 0.722 -6.102 -5.235 448 HA ILE 58 HA ILE 58 -1.310 -4.572 -3.957 449 HB ILE 58 HB ILE 58 1.721 -4.476 -3.922 450 1HG1 ILE 58 2HG1 ILE 58 -0.205 -5.281 -1.708 451 2HG1 ILE 58 3HG1 ILE 58 0.252 -6.432 -2.966 452 1HG2 ILE 58 1HG2 ILE 58 1.543 -3.049 -1.912 453 2HG2 ILE 58 2HG2 ILE 58 0.987 -2.205 -3.346 454 3HG2 ILE 58 3HG2 ILE 58 -0.199 -2.858 -2.194 455 1HD1 ILE 58 1HD1 ILE 58 2.250 -5.029 -1.160 456 2HD1 ILE 58 2HD1 ILE 58 1.662 -6.701 -1.018 457 3HD1 ILE 58 3HD1 ILE 58 2.607 -6.204 -2.439 458 H ILE 59 H ILE 59 1.281 -3.447 -6.191 459 HA ILE 59 HA ILE 59 0.474 -0.750 -6.292 460 HB ILE 59 HB ILE 59 1.800 -2.565 -8.323 461 1HG1 ILE 59 2HG1 ILE 59 3.065 -0.308 -6.768 462 2HG1 ILE 59 3HG1 ILE 59 2.923 -1.929 -6.078 463 1HG2 ILE 59 1HG2 ILE 59 1.486 0.456 -8.498 464 2HG2 ILE 59 2HG2 ILE 59 2.493 -0.535 -9.567 465 3HG2 ILE 59 3HG2 ILE 59 0.746 -0.730 -9.595 466 1HD1 ILE 59 1HD1 ILE 59 4.171 -2.861 -8.019 467 2HD1 ILE 59 2HD1 ILE 59 4.416 -1.209 -8.631 468 3HD1 ILE 59 3HD1 ILE 59 5.104 -1.687 -7.073 469 H HIS 60 H HIS 60 -0.614 -3.484 -8.350 470 HA HIS 60 HA HIS 60 -2.404 -1.942 -9.939 471 1HB HIS 60 2HB HIS 60 -1.394 -4.170 -10.451 472 2HB HIS 60 3HB HIS 60 -2.510 -4.910 -9.295 473 HD1 HIS 60 1HD HIS 60 -4.479 -2.338 -11.157 474 HD2 HIS 60 2HD HIS 60 -2.767 -6.122 -11.959 475 HE1 HIS 60 1HE HIS 60 -5.679 -3.267 -13.174 476 H THR 61 H THR 61 -2.804 -3.663 -6.835 477 HA THR 61 HA THR 61 -5.668 -3.381 -6.719 478 HB THR 61 HB THR 61 -3.659 -3.734 -4.457 479 HG1 THR 61 1HG THR 61 -3.666 -5.392 -6.036 480 1HG2 THR 61 1HG2 THR 61 -6.673 -4.190 -4.578 481 2HG2 THR 61 2HG2 THR 61 -5.605 -4.745 -3.272 482 3HG2 THR 61 3HG2 THR 61 -5.821 -3.015 -3.553 483 H ILE 62 H ILE 62 -2.969 -1.400 -5.298 484 HA ILE 62 HA ILE 62 -4.865 0.453 -4.169 485 HB ILE 62 HB ILE 62 -1.888 0.887 -4.550 486 1HG1 ILE 62 2HG1 ILE 62 -2.013 -1.119 -3.267 487 2HG1 ILE 62 3HG1 ILE 62 -1.808 0.164 -2.101 488 1HG2 ILE 62 1HG2 ILE 62 -2.299 2.321 -2.469 489 2HG2 ILE 62 2HG2 ILE 62 -2.971 2.945 -3.982 490 3HG2 ILE 62 3HG2 ILE 62 -4.024 2.160 -2.784 491 1HD1 ILE 62 1HD1 ILE 62 -4.343 0.096 -1.732 492 2HD1 ILE 62 2HD1 ILE 62 -4.361 -1.347 -2.776 493 3HD1 ILE 62 3HD1 ILE 62 -3.458 -1.366 -1.272 494 H GLU 63 H GLU 63 -3.109 0.410 -7.279 495 HA GLU 63 HA GLU 63 -3.966 2.836 -8.383 496 1HB GLU 63 2HB GLU 63 -2.428 1.355 -9.420 497 2HB GLU 63 3HB GLU 63 -3.532 0.004 -9.399 498 1HG GLU 63 2HG GLU 63 -4.232 2.486 -10.937 499 2HG GLU 63 3HG GLU 63 -3.099 1.271 -11.571 500 H SER 64 H SER 64 -5.548 -0.354 -8.580 501 HA SER 64 HA SER 64 -7.956 0.472 -9.607 502 1HB SER 64 2HB SER 64 -7.177 -1.828 -9.482 503 2HB SER 64 3HB SER 64 -7.547 -1.889 -7.744 504 HG SER 64 HG SER 64 -9.407 -1.365 -9.832 505 H LEU 65 H LEU 65 -7.169 0.392 -6.088 506 HA LEU 65 HA LEU 65 -9.788 1.153 -5.204 507 1HB LEU 65 2HB LEU 65 -7.031 1.527 -3.984 508 2HB LEU 65 3HB LEU 65 -8.447 2.273 -3.270 509 HG LEU 65 HG LEU 65 -8.071 0.417 -2.018 510 1HD1 LEU 65 1HD1 LEU 65 -10.328 -0.519 -3.836 511 2HD1 LEU 65 2HD1 LEU 65 -10.094 -0.851 -2.113 512 3HD1 LEU 65 3HD1 LEU 65 -10.483 0.790 -2.644 513 1HD2 LEU 65 1HD2 LEU 65 -6.651 -0.841 -3.489 514 2HD2 LEU 65 2HD2 LEU 65 -7.919 -1.874 -2.813 515 3HD2 LEU 65 3HD2 LEU 65 -8.053 -1.321 -4.495 516 H GLY 66 H GLY 66 -7.576 3.030 -7.048 517 1HA GLY 66 2HA GLY 66 -8.208 5.000 -8.074 518 2HA GLY 66 1HA GLY 66 -9.386 5.354 -6.806 519 H PHE 67 H PHE 67 -5.874 4.549 -6.708 520 HA PHE 67 HA PHE 67 -5.224 7.319 -5.871 521 1HB PHE 67 2HB PHE 67 -4.050 4.863 -4.533 522 2HB PHE 67 3HB PHE 67 -3.801 6.559 -4.107 523 HD1 PHE 67 1HD PHE 67 -5.734 3.609 -3.396 524 HD2 PHE 67 2HD PHE 67 -5.969 7.889 -3.461 525 HE1 PHE 67 1HE PHE 67 -7.412 3.539 -1.571 526 HE2 PHE 67 2HE PHE 67 -7.768 7.829 -1.749 527 HZ PHE 67 HZ PHE 67 -8.387 5.659 -0.704 528 H GLU 68 H GLU 68 -2.743 7.587 -6.072 529 HA GLU 68 HA GLU 68 -1.909 6.143 -8.519 530 1HB GLU 68 2HB GLU 68 -2.433 8.619 -8.475 531 2HB GLU 68 3HB GLU 68 -0.926 8.810 -7.564 532 1HG GLU 68 2HG GLU 68 -0.941 7.398 -10.249 533 2HG GLU 68 3HG GLU 68 -0.965 9.160 -10.142 534 HA PRO 69 HA PRO 69 1.145 4.578 -5.511 535 1HB PRO 69 2HB PRO 69 1.466 2.058 -6.632 536 2HB PRO 69 3HB PRO 69 0.218 2.506 -5.434 537 1HG PRO 69 2HG PRO 69 -0.004 2.306 -8.433 538 2HG PRO 69 3HG PRO 69 -1.137 1.727 -7.172 539 1HD PRO 69 2HD PRO 69 -1.531 4.033 -8.535 540 2HD PRO 69 3HD PRO 69 -1.966 3.879 -6.803 541 H SER 70 H SER 70 2.378 6.285 -6.391 542 HA SER 70 HA SER 70 4.392 5.597 -8.399 543 1HB SER 70 2HB SER 70 5.451 7.707 -7.722 544 2HB SER 70 3HB SER 70 3.744 7.847 -8.172 545 HG SER 70 HG SER 70 3.345 7.727 -5.799 546 H LEU 71 H LEU 71 6.009 4.237 -8.034 547 HA LEU 71 HA LEU 71 6.653 3.123 -5.495 548 1HB LEU 71 2HB LEU 71 6.982 2.241 -7.934 549 2HB LEU 71 3HB LEU 71 8.532 3.084 -7.886 550 HG LEU 71 HG LEU 71 7.500 0.931 -6.006 551 1HD1 LEU 71 1HD1 LEU 71 8.133 0.124 -8.254 552 2HD1 LEU 71 2HD1 LEU 71 9.733 0.881 -8.087 553 3HD1 LEU 71 3HD1 LEU 71 9.271 -0.474 -7.036 554 1HD2 LEU 71 1HD2 LEU 71 10.176 2.401 -5.972 555 2HD2 LEU 71 2HD2 LEU 71 8.974 2.307 -4.660 556 3HD2 LEU 71 3HD2 LEU 71 9.885 0.872 -5.120 557 H VAL 72 H VAL 72 7.418 4.484 -3.908 558 HA VAL 72 HA VAL 72 8.790 6.896 -4.621 559 HB VAL 72 HB VAL 72 7.105 6.684 -2.848 560 1HG1 VAL 72 1HG1 VAL 72 7.643 5.912 -0.625 561 2HG1 VAL 72 2HG1 VAL 72 7.953 4.584 -1.750 562 3HG1 VAL 72 3HG1 VAL 72 9.305 5.523 -1.083 563 1HG2 VAL 72 1HG2 VAL 72 8.236 8.253 -1.277 564 2HG2 VAL 72 2HG2 VAL 72 9.789 7.875 -2.040 565 3HG2 VAL 72 3HG2 VAL 72 8.509 8.660 -2.981 566 H LYS 73 H LYS 73 9.833 3.922 -2.982 567 HA LYS 73 HA LYS 73 11.809 2.987 -2.573 568 1HB LYS 73 2HB LYS 73 12.263 3.597 -4.970 569 2HB LYS 73 3HB LYS 73 13.151 5.015 -4.386 570 1HG LYS 73 2HG LYS 73 14.681 3.528 -3.126 571 2HG LYS 73 3HG LYS 73 13.813 2.105 -3.729 572 1HD LYS 73 2HD LYS 73 14.305 2.757 -6.061 573 2HD LYS 73 3HD LYS 73 15.111 4.229 -5.501 574 1HE LYS 73 2HE LYS 73 16.076 1.370 -4.963 575 2HE LYS 73 3HE LYS 73 16.735 2.506 -6.157 576 1HZ LYS 73 1HZ LYS 73 18.117 2.752 -4.290 577 2HZ LYS 73 2HZ LYS 73 17.066 4.008 -4.118 578 3HZ LYS 73 3HZ LYS 73 16.903 2.646 -3.236 579 H ILE 74 H ILE 74 12.333 6.542 -2.620 580 HA ILE 74 HA ILE 74 13.445 7.915 -1.320 581 HB ILE 74 HB ILE 74 11.187 7.300 -0.255 582 1HG1 ILE 74 2HG1 ILE 74 12.058 9.472 -0.172 583 2HG1 ILE 74 3HG1 ILE 74 11.409 9.036 1.406 584 1HG2 ILE 74 1HG2 ILE 74 11.885 5.392 1.142 585 2HG2 ILE 74 2HG2 ILE 74 12.804 6.504 2.175 586 3HG2 ILE 74 3HG2 ILE 74 11.061 6.685 2.008 587 1HD1 ILE 74 1HD1 ILE 74 13.484 10.291 1.657 588 2HD1 ILE 74 2HD1 ILE 74 13.756 8.632 2.218 589 3HD1 ILE 74 3HD1 ILE 74 14.356 9.152 0.622 590 H GLU 75 H GLU 75 15.159 6.110 -2.173 591 HA GLU 75 HA GLU 75 17.386 6.036 -0.420 592 1HB GLU 75 2HB GLU 75 16.024 4.182 0.598 593 2HB GLU 75 3HB GLU 75 15.733 3.520 -0.997 594 1HG GLU 75 2HG GLU 75 18.574 3.602 -0.738 595 2HG GLU 75 3HG GLU 75 17.973 3.109 0.840 Start of MODEL 16 1 1H MET 1 H1 MET 1 13.384 -12.464 1.304 2 2H MET 1 H2 MET 1 14.464 -12.169 0.026 3 3H MET 1 H3 MET 1 12.927 -12.678 -0.249 4 HA MET 1 HA MET 1 14.111 -14.559 -0.599 5 1HB MET 1 2HB MET 1 15.506 -14.221 2.094 6 2HB MET 1 3HB MET 1 15.844 -15.383 0.802 7 1HG MET 1 2HG MET 1 16.500 -12.449 0.978 8 2HG MET 1 3HG MET 1 17.564 -13.806 0.611 9 1HE MET 1 1HE MET 1 17.551 -10.959 -0.880 10 2HE MET 1 2HE MET 1 18.683 -12.282 -1.270 11 3HE MET 1 3HE MET 1 17.756 -11.490 -2.566 12 H GLY 2 H GLY 2 11.636 -14.169 0.009 13 1HA GLY 2 2HA GLY 2 9.849 -14.400 1.318 14 2HA GLY 2 1HA GLY 2 10.728 -15.295 2.584 15 H ASP 3 H ASP 3 9.134 -13.178 3.237 16 HA ASP 3 HA ASP 3 8.907 -11.274 4.385 17 1HB ASP 3 2HB ASP 3 10.461 -12.419 5.904 18 2HB ASP 3 3HB ASP 3 11.835 -11.642 5.098 19 H GLY 4 H GLY 4 9.413 -8.972 4.692 20 1HA GLY 4 2HA GLY 4 11.167 -7.322 3.561 21 2HA GLY 4 1HA GLY 4 10.229 -7.732 2.113 22 H VAL 5 H VAL 5 10.179 -5.215 2.428 23 HA VAL 5 HA VAL 5 7.420 -4.720 3.087 24 HB VAL 5 HB VAL 5 7.679 -2.758 4.357 25 1HG1 VAL 5 1HG1 VAL 5 9.874 -4.536 5.506 26 2HG1 VAL 5 2HG1 VAL 5 8.928 -3.316 6.365 27 3HG1 VAL 5 3HG1 VAL 5 8.134 -4.776 5.765 28 1HG2 VAL 5 1HG2 VAL 5 10.649 -2.781 3.732 29 2HG2 VAL 5 2HG2 VAL 5 9.428 -1.604 3.179 30 3HG2 VAL 5 3HG2 VAL 5 9.856 -1.682 4.885 31 H LEU 6 H LEU 6 6.740 -2.650 2.001 32 HA LEU 6 HA LEU 6 8.483 -1.722 -0.193 33 1HB LEU 6 2HB LEU 6 7.030 -3.803 -0.823 34 2HB LEU 6 3HB LEU 6 5.650 -2.728 -0.710 35 HG LEU 6 HG LEU 6 6.249 -2.938 -2.978 36 1HD1 LEU 6 1HD1 LEU 6 7.486 -0.273 -2.223 37 2HD1 LEU 6 2HD1 LEU 6 6.674 -0.714 -3.731 38 3HD1 LEU 6 3HD1 LEU 6 5.734 -0.598 -2.235 39 1HD2 LEU 6 1HD2 LEU 6 8.450 -2.576 -3.926 40 2HD2 LEU 6 2HD2 LEU 6 9.125 -2.154 -2.343 41 3HD2 LEU 6 3HD2 LEU 6 8.551 -3.805 -2.657 42 H GLU 7 H GLU 7 8.429 0.471 0.202 43 HA GLU 7 HA GLU 7 5.956 1.750 1.240 44 1HB GLU 7 2HB GLU 7 8.736 2.893 0.820 45 2HB GLU 7 3HB GLU 7 7.308 3.733 1.424 46 1HG GLU 7 2HG GLU 7 7.528 1.445 3.085 47 2HG GLU 7 3HG GLU 7 9.164 1.957 2.835 48 H LEU 8 H LEU 8 4.741 3.173 0.010 49 HA LEU 8 HA LEU 8 5.825 4.172 -2.481 50 1HB LEU 8 2HB LEU 8 3.528 3.363 -3.635 51 2HB LEU 8 3HB LEU 8 5.005 2.427 -3.663 52 HG LEU 8 HG LEU 8 4.195 1.095 -1.670 53 1HD1 LEU 8 1HD1 LEU 8 2.462 2.776 -0.967 54 2HD1 LEU 8 2HD1 LEU 8 1.523 2.341 -2.410 55 3HD1 LEU 8 3HD1 LEU 8 1.837 1.127 -1.156 56 1HD2 LEU 8 1HD2 LEU 8 2.490 1.035 -4.163 57 2HD2 LEU 8 2HD2 LEU 8 4.097 0.287 -4.003 58 3HD2 LEU 8 3HD2 LEU 8 2.741 -0.298 -3.018 59 H VAL 9 H VAL 9 4.956 6.084 -3.162 60 HA VAL 9 HA VAL 9 3.387 7.463 -1.061 61 HB VAL 9 HB VAL 9 5.109 8.433 -3.333 62 1HG1 VAL 9 1HG1 VAL 9 3.039 9.651 -3.781 63 2HG1 VAL 9 2HG1 VAL 9 2.866 10.039 -2.054 64 3HG1 VAL 9 3HG1 VAL 9 4.198 10.728 -2.999 65 1HG2 VAL 9 1HG2 VAL 9 5.926 9.935 -1.533 66 2HG2 VAL 9 2HG2 VAL 9 4.654 9.367 -0.446 67 3HG2 VAL 9 3HG2 VAL 9 5.953 8.255 -0.952 68 H VAL 10 H VAL 10 1.252 7.594 -1.327 69 HA VAL 10 HA VAL 10 0.082 6.844 -3.963 70 HB VAL 10 HB VAL 10 -1.540 5.539 -2.984 71 1HG1 VAL 10 1HG1 VAL 10 0.884 4.909 -1.264 72 2HG1 VAL 10 2HG1 VAL 10 -0.322 3.789 -1.907 73 3HG1 VAL 10 3HG1 VAL 10 0.855 4.546 -2.988 74 1HG2 VAL 10 1HG2 VAL 10 -2.235 6.684 -1.026 75 2HG2 VAL 10 2HG2 VAL 10 -1.629 5.107 -0.513 76 3HG2 VAL 10 3HG2 VAL 10 -0.587 6.528 -0.295 77 H ARG 11 H ARG 11 -0.458 8.770 -4.807 78 HA ARG 11 HA ARG 11 -1.493 10.940 -3.089 79 1HB ARG 11 2HB ARG 11 -1.650 10.784 -6.094 80 2HB ARG 11 3HB ARG 11 -1.839 12.199 -5.084 81 1HG ARG 11 2HG ARG 11 0.529 12.158 -4.455 82 2HG ARG 11 3HG ARG 11 0.777 10.628 -5.315 83 1HD ARG 11 2HD ARG 11 1.557 12.530 -6.674 84 2HD ARG 11 3HD ARG 11 0.263 11.616 -7.443 85 HE ARG 11 HE ARG 11 -0.400 14.037 -5.845 86 1HH1 ARG 11 2HH2 ARG 11 -0.641 12.480 -9.048 87 2HH1 ARG 11 1HH2 ARG 11 -1.111 13.912 -9.853 88 1HH2 ARG 11 2HH1 ARG 11 -1.422 15.795 -6.868 89 2HH2 ARG 11 1HH1 ARG 11 -1.772 15.743 -8.567 90 H GLY 12 H GLY 12 -3.719 11.849 -3.621 91 1HA GLY 12 2HA GLY 12 -5.909 11.593 -4.430 92 2HA GLY 12 1HA GLY 12 -5.706 9.853 -4.596 93 H MET 13 H MET 13 -4.390 10.242 -1.636 94 HA MET 13 HA MET 13 -6.749 9.542 -0.171 95 1HB MET 13 2HB MET 13 -3.996 10.380 0.766 96 2HB MET 13 3HB MET 13 -5.278 9.734 1.808 97 1HG MET 13 2HG MET 13 -5.353 7.691 0.336 98 2HG MET 13 3HG MET 13 -3.917 8.282 -0.496 99 1HE MET 13 1HE MET 13 -1.562 8.382 0.556 100 2HE MET 13 2HE MET 13 -2.118 9.465 1.831 101 3HE MET 13 3HE MET 13 -1.211 7.986 2.242 102 H THR 14 H THR 14 -8.031 11.351 -0.983 103 HA THR 14 HA THR 14 -7.509 14.027 -0.225 104 HB THR 14 HB THR 14 -8.796 13.426 -2.176 105 HG1 THR 14 1HG THR 14 -9.209 15.429 -0.969 106 1HG2 THR 14 1HG2 THR 14 -10.058 11.452 -1.377 107 2HG2 THR 14 2HG2 THR 14 -11.006 12.495 -0.291 108 3HG2 THR 14 3HG2 THR 14 -11.134 12.685 -2.045 109 H CYS 15 H CYS 15 -9.185 11.475 1.576 110 HA CYS 15 HA CYS 15 -9.639 13.372 3.802 111 1HB CYS 15 2HB CYS 15 -11.856 11.586 2.673 112 2HB CYS 15 3HB CYS 15 -11.929 12.581 4.140 113 HG CYS 15 HG CYS 15 -11.116 14.776 2.593 114 H ALA 16 H ALA 16 -10.027 12.258 5.808 115 HA ALA 16 HA ALA 16 -8.229 10.333 6.501 116 1HB ALA 16 1HB ALA 16 -10.992 10.740 7.722 117 2HB ALA 16 2HB ALA 16 -9.617 9.933 8.501 118 3HB ALA 16 3HB ALA 16 -9.523 11.665 8.117 119 H SER 17 H SER 17 -11.631 9.677 5.494 120 HA SER 17 HA SER 17 -11.874 7.010 5.860 121 1HB SER 17 2HB SER 17 -12.674 8.396 3.277 122 2HB SER 17 3HB SER 17 -13.544 7.127 4.165 123 HG SER 17 HG SER 17 -13.916 8.660 5.818 124 H CYS 18 H CYS 18 -9.977 8.579 3.223 125 HA CYS 18 HA CYS 18 -9.538 6.287 1.602 126 1HB CYS 18 2HB CYS 18 -7.738 8.693 2.123 127 2HB CYS 18 3HB CYS 18 -7.565 7.520 0.814 128 HG CYS 18 HG CYS 18 -9.864 7.928 -0.299 129 H VAL 19 H VAL 19 -7.924 7.390 4.576 130 HA VAL 19 HA VAL 19 -5.603 5.731 4.385 131 HB VAL 19 HB VAL 19 -7.026 6.783 6.883 132 1HG1 VAL 19 1HG1 VAL 19 -4.891 6.664 7.972 133 2HG1 VAL 19 2HG1 VAL 19 -5.240 5.063 7.306 134 3HG1 VAL 19 3HG1 VAL 19 -4.098 6.153 6.477 135 1HG2 VAL 19 1HG2 VAL 19 -4.915 8.066 5.096 136 2HG2 VAL 19 2HG2 VAL 19 -6.564 8.668 5.374 137 3HG2 VAL 19 3HG2 VAL 19 -5.394 8.667 6.700 138 H HIS 20 H HIS 20 -8.752 5.343 6.179 139 HA HIS 20 HA HIS 20 -8.120 2.702 7.045 140 1HB HIS 20 2HB HIS 20 -9.714 3.344 8.440 141 2HB HIS 20 3HB HIS 20 -10.154 4.729 7.455 142 HD1 HIS 20 1HD HIS 20 -11.678 1.713 8.746 143 HD2 HIS 20 2HD HIS 20 -11.759 3.855 5.140 144 HE1 HIS 20 1HE HIS 20 -13.790 1.039 7.528 145 H LYS 21 H LYS 21 -9.633 4.079 4.120 146 HA LYS 21 HA LYS 21 -10.820 1.713 3.173 147 1HB LYS 21 2HB LYS 21 -10.746 4.204 2.144 148 2HB LYS 21 3HB LYS 21 -9.424 3.548 1.207 149 1HG LYS 21 2HG LYS 21 -11.268 1.527 0.938 150 2HG LYS 21 3HG LYS 21 -12.353 2.907 1.090 151 1HD LYS 21 2HD LYS 21 -10.034 2.613 -0.855 152 2HD LYS 21 3HD LYS 21 -11.716 2.228 -1.255 153 1HE LYS 21 2HE LYS 21 -12.319 4.635 -0.829 154 2HE LYS 21 3HE LYS 21 -10.610 4.989 -0.566 155 1HZ LYS 21 1HZ LYS 21 -11.200 5.511 -2.809 156 2HZ LYS 21 2HZ LYS 21 -10.243 4.193 -2.932 157 3HZ LYS 21 3HZ LYS 21 -11.850 4.035 -3.074 158 H ILE 22 H ILE 22 -7.556 3.060 2.757 159 HA ILE 22 HA ILE 22 -6.557 0.965 1.041 160 HB ILE 22 HB ILE 22 -5.244 3.125 2.720 161 1HG1 ILE 22 2HG1 ILE 22 -5.264 2.705 -0.261 162 2HG1 ILE 22 3HG1 ILE 22 -6.557 3.590 0.595 163 1HG2 ILE 22 1HG2 ILE 22 -3.142 2.447 1.392 164 2HG2 ILE 22 2HG2 ILE 22 -3.641 1.252 2.596 165 3HG2 ILE 22 3HG2 ILE 22 -4.043 1.017 0.875 166 1HD1 ILE 22 1HD1 ILE 22 -4.973 5.167 -0.391 167 2HD1 ILE 22 2HD1 ILE 22 -4.971 5.231 1.378 168 3HD1 ILE 22 3HD1 ILE 22 -3.641 4.433 0.488 169 H GLU 23 H GLU 23 -6.112 1.719 4.527 170 HA GLU 23 HA GLU 23 -4.615 -0.497 5.167 171 1HB GLU 23 2HB GLU 23 -5.660 1.618 6.599 172 2HB GLU 23 3HB GLU 23 -6.614 0.303 7.263 173 1HG GLU 23 2HG GLU 23 -4.590 -0.937 7.874 174 2HG GLU 23 3HG GLU 23 -3.575 0.246 7.038 175 H SER 24 H SER 24 -8.155 -0.185 5.345 176 HA SER 24 HA SER 24 -8.692 -2.833 6.255 177 1HB SER 24 2HB SER 24 -10.274 -0.906 6.375 178 2HB SER 24 3HB SER 24 -10.537 -1.039 4.627 179 HG SER 24 HG SER 24 -11.156 -3.305 5.148 180 H SER 25 H SER 25 -8.604 -1.393 2.981 181 HA SER 25 HA SER 25 -9.435 -3.728 1.575 182 1HB SER 25 2HB SER 25 -9.526 -1.414 0.710 183 2HB SER 25 3HB SER 25 -7.759 -1.388 0.588 184 HG SER 25 HG SER 25 -8.076 -3.338 -0.788 185 H LEU 26 H LEU 26 -6.249 -2.645 2.738 186 HA LEU 26 HA LEU 26 -4.867 -4.739 1.232 187 1HB LEU 26 2HB LEU 26 -4.046 -2.520 2.977 188 2HB LEU 26 3HB LEU 26 -3.039 -3.977 3.052 189 HG LEU 26 HG LEU 26 -3.887 -2.987 0.346 190 1HD1 LEU 26 1HD1 LEU 26 -1.548 -1.820 1.873 191 2HD1 LEU 26 2HD1 LEU 26 -1.935 -1.538 0.177 192 3HD1 LEU 26 3HD1 LEU 26 -3.049 -0.981 1.448 193 1HD2 LEU 26 1HD2 LEU 26 -1.779 -3.970 -0.334 194 2HD2 LEU 26 2HD2 LEU 26 -1.327 -4.275 1.356 195 3HD2 LEU 26 3HD2 LEU 26 -2.677 -5.163 0.617 196 H THR 27 H THR 27 -5.880 -4.294 4.678 197 HA THR 27 HA THR 27 -4.778 -6.764 5.572 198 HB THR 27 HB THR 27 -6.310 -6.460 7.508 199 HG1 THR 27 1HG THR 27 -7.899 -5.334 6.140 200 1HG2 THR 27 1HG2 THR 27 -4.895 -3.857 6.852 201 2HG2 THR 27 2HG2 THR 27 -5.183 -4.561 8.433 202 3HG2 THR 27 3HG2 THR 27 -4.008 -5.312 7.337 203 H LYS 28 H LYS 28 -5.422 -8.025 3.791 204 HA LYS 28 HA LYS 28 -7.390 -9.979 4.148 205 1HB LYS 28 2HB LYS 28 -8.970 -9.548 2.300 206 2HB LYS 28 3HB LYS 28 -9.117 -8.422 3.632 207 1HG LYS 28 2HG LYS 28 -9.260 -6.916 1.943 208 2HG LYS 28 3HG LYS 28 -7.529 -6.901 2.180 209 1HD LYS 28 2HD LYS 28 -7.856 -6.973 -0.143 210 2HD LYS 28 3HD LYS 28 -7.362 -8.617 0.249 211 1HE LYS 28 2HE LYS 28 -9.709 -9.359 0.048 212 2HE LYS 28 3HE LYS 28 -10.237 -7.677 -0.156 213 1HZ LYS 28 1HZ LYS 28 -8.917 -7.568 -2.164 214 2HZ LYS 28 2HZ LYS 28 -8.463 -9.136 -2.004 215 3HZ LYS 28 3HZ LYS 28 -10.044 -8.761 -2.269 216 H HIS 29 H HIS 29 -5.231 -8.198 1.876 217 HA HIS 29 HA HIS 29 -4.964 -10.287 -0.031 218 1HB HIS 29 2HB HIS 29 -3.091 -8.056 0.835 219 2HB HIS 29 3HB HIS 29 -2.683 -9.237 -0.401 220 HD1 HIS 29 1HD HIS 29 -3.405 -8.505 -2.874 221 HD2 HIS 29 2HD HIS 29 -5.515 -6.680 0.301 222 HE1 HIS 29 1HE HIS 29 -5.153 -7.039 -3.920 223 H ARG 30 H ARG 30 -3.750 -10.040 3.225 224 HA ARG 30 HA ARG 30 -3.183 -11.660 4.613 225 1HB ARG 30 2HB ARG 30 -4.782 -12.918 3.091 226 2HB ARG 30 3HB ARG 30 -3.368 -13.724 2.394 227 1HG ARG 30 2HG ARG 30 -2.730 -14.595 4.604 228 2HG ARG 30 3HG ARG 30 -4.041 -13.693 5.372 229 1HD ARG 30 2HD ARG 30 -4.299 -15.958 3.349 230 2HD ARG 30 3HD ARG 30 -4.702 -16.071 5.056 231 HE ARG 30 HE ARG 30 -6.298 -15.008 2.877 232 1HH1 ARG 30 2HH2 ARG 30 -5.783 -14.706 6.342 233 2HH1 ARG 30 1HH2 ARG 30 -7.289 -13.906 6.677 234 1HH2 ARG 30 2HH1 ARG 30 -8.260 -13.856 3.243 235 2HH2 ARG 30 1HH1 ARG 30 -8.754 -13.446 4.853 236 H GLY 31 H GLY 31 -1.399 -12.033 1.527 237 1HA GLY 31 2HA GLY 31 1.035 -13.002 2.676 238 2HA GLY 31 1HA GLY 31 0.883 -12.074 1.170 239 H ILE 32 H ILE 32 -0.558 -9.912 2.883 240 HA ILE 32 HA ILE 32 1.850 -8.466 3.605 241 HB ILE 32 HB ILE 32 0.717 -6.532 3.582 242 1HG1 ILE 32 2HG1 ILE 32 -0.983 -6.792 5.155 243 2HG1 ILE 32 3HG1 ILE 32 -1.556 -6.024 3.700 244 1HG2 ILE 32 1HG2 ILE 32 -0.512 -6.460 1.497 245 2HG2 ILE 32 2HG2 ILE 32 0.839 -7.597 1.365 246 3HG2 ILE 32 3HG2 ILE 32 -0.815 -8.200 1.553 247 1HD1 ILE 32 1HD1 ILE 32 -1.975 -9.013 4.271 248 2HD1 ILE 32 2HD1 ILE 32 -3.137 -7.745 4.636 249 3HD1 ILE 32 3HD1 ILE 32 -2.672 -8.059 2.960 250 H LEU 33 H LEU 33 2.587 -8.073 5.564 251 HA LEU 33 HA LEU 33 1.387 -9.293 7.955 252 1HB LEU 33 2HB LEU 33 3.790 -7.455 7.613 253 2HB LEU 33 3HB LEU 33 3.356 -8.341 9.077 254 HG LEU 33 HG LEU 33 4.163 -9.621 6.415 255 1HD1 LEU 33 1HD1 LEU 33 6.021 -8.403 7.465 256 2HD1 LEU 33 2HD1 LEU 33 5.738 -9.269 8.993 257 3HD1 LEU 33 3HD1 LEU 33 6.271 -10.153 7.546 258 1HD2 LEU 33 1HD2 LEU 33 4.383 -11.691 7.780 259 2HD2 LEU 33 2HD2 LEU 33 3.669 -10.841 9.167 260 3HD2 LEU 33 3HD2 LEU 33 2.710 -11.127 7.695 261 H TYR 34 H TYR 34 1.881 -6.051 6.432 262 HA TYR 34 HA TYR 34 -0.365 -4.992 7.887 263 1HB TYR 34 2HB TYR 34 1.485 -4.953 9.635 264 2HB TYR 34 3HB TYR 34 2.424 -3.952 8.543 265 HD1 TYR 34 HD1 TYR 34 -1.274 -3.612 9.371 266 HD2 TYR 34 HD2 TYR 34 2.710 -2.059 9.961 267 HE1 TYR 34 HE1 TYR 34 -2.208 -1.379 9.830 268 HE2 TYR 34 HE2 TYR 34 1.739 0.064 10.760 269 HH TYR 34 HH TYR 34 -1.696 0.872 10.098 270 H CYS 35 H CYS 35 -0.651 -2.594 7.340 271 HA CYS 35 HA CYS 35 0.546 -1.779 4.782 272 1HB CYS 35 2HB CYS 35 -1.865 -1.144 4.061 273 2HB CYS 35 3HB CYS 35 -1.294 -2.768 3.848 274 HG CYS 35 HG CYS 35 -2.309 -3.771 5.942 275 H SER 36 H SER 36 1.423 -0.541 6.836 276 HA SER 36 HA SER 36 -0.211 1.471 7.991 277 1HB SER 36 2HB SER 36 2.326 0.623 8.527 278 2HB SER 36 3HB SER 36 2.691 2.149 7.740 279 HG SER 36 HG SER 36 0.753 1.866 9.822 280 H VAL 37 H VAL 37 -1.438 2.401 6.318 281 HA VAL 37 HA VAL 37 -0.130 4.400 4.694 282 HB VAL 37 HB VAL 37 -1.783 2.738 3.888 283 1HG1 VAL 37 1HG1 VAL 37 -3.222 2.761 6.059 284 2HG1 VAL 37 2HG1 VAL 37 -3.928 4.233 5.381 285 3HG1 VAL 37 3HG1 VAL 37 -4.028 2.699 4.504 286 1HG2 VAL 37 1HG2 VAL 37 -3.323 4.228 2.738 287 2HG2 VAL 37 2HG2 VAL 37 -2.751 5.601 3.698 288 3HG2 VAL 37 3HG2 VAL 37 -1.649 4.737 2.585 289 H ALA 38 H ALA 38 -0.624 6.602 4.612 290 HA ALA 38 HA ALA 38 -2.053 7.891 6.852 291 1HB ALA 38 1HB ALA 38 0.917 8.138 6.484 292 2HB ALA 38 2HB ALA 38 -0.119 9.242 7.435 293 3HB ALA 38 3HB ALA 38 0.060 7.530 7.926 294 H LEU 39 H LEU 39 -2.907 9.696 6.289 295 HA LEU 39 HA LEU 39 -2.987 10.370 3.541 296 1HB LEU 39 2HB LEU 39 -4.632 11.969 4.008 297 2HB LEU 39 3HB LEU 39 -4.905 10.526 4.955 298 HG LEU 39 HG LEU 39 -3.575 12.009 6.827 299 1HD1 LEU 39 1HD1 LEU 39 -3.454 14.011 5.210 300 2HD1 LEU 39 2HD1 LEU 39 -5.218 14.024 5.205 301 3HD1 LEU 39 3HD1 LEU 39 -4.334 14.337 6.710 302 1HD2 LEU 39 1HD2 LEU 39 -6.536 12.167 6.146 303 2HD2 LEU 39 2HD2 LEU 39 -5.747 10.940 7.161 304 3HD2 LEU 39 3HD2 LEU 39 -5.810 12.623 7.701 305 H ALA 40 H ALA 40 -1.561 12.202 6.308 306 HA ALA 40 HA ALA 40 -1.043 14.524 4.760 307 1HB ALA 40 1HB ALA 40 0.284 13.549 7.333 308 2HB ALA 40 2HB ALA 40 0.364 15.197 6.676 309 3HB ALA 40 3HB ALA 40 -1.191 14.537 7.220 310 H THR 41 H THR 41 0.952 11.699 5.622 311 HA THR 41 HA THR 41 3.261 12.822 4.152 312 HB THR 41 HB THR 41 3.688 11.730 6.219 313 HG1 THR 41 1HG THR 41 4.572 10.519 3.839 314 1HG2 THR 41 1HG2 THR 41 2.200 9.405 5.037 315 2HG2 THR 41 2HG2 THR 41 3.409 9.179 6.328 316 3HG2 THR 41 3HG2 THR 41 1.996 10.205 6.612 317 H ASN 42 H ASN 42 0.399 11.386 3.169 318 HA ASN 42 HA ASN 42 -0.283 10.532 1.182 319 1HB ASN 42 2HB ASN 42 2.345 11.715 0.193 320 2HB ASN 42 3HB ASN 42 1.116 10.983 -0.837 321 1HD2 ASN 42 1HD2 ASN 42 1.103 13.542 1.829 322 2HD2 ASN 42 2HD2 ASN 42 0.128 14.582 0.837 323 H LYS 43 H LYS 43 0.981 8.761 3.049 324 HA LYS 43 HA LYS 43 2.850 7.088 1.402 325 1HB LYS 43 2HB LYS 43 3.702 8.096 3.501 326 2HB LYS 43 3HB LYS 43 2.400 7.301 4.396 327 1HG LYS 43 2HG LYS 43 4.400 6.086 4.770 328 2HG LYS 43 3HG LYS 43 3.306 5.084 3.846 329 1HD LYS 43 2HD LYS 43 5.605 4.873 3.090 330 2HD LYS 43 3HD LYS 43 4.624 5.531 1.776 331 1HE LYS 43 2HE LYS 43 5.540 7.734 2.040 332 2HE LYS 43 3HE LYS 43 6.128 7.384 3.675 333 1HZ LYS 43 1HZ LYS 43 7.740 5.906 2.765 334 2HZ LYS 43 2HZ LYS 43 7.256 6.205 1.231 335 3HZ LYS 43 3HZ LYS 43 7.932 7.405 2.141 336 H ALA 44 H ALA 44 2.262 5.022 0.952 337 HA ALA 44 HA ALA 44 0.832 3.629 3.100 338 1HB ALA 44 1HB ALA 44 0.629 2.844 0.178 339 2HB ALA 44 2HB ALA 44 0.162 1.840 1.560 340 3HB ALA 44 3HB ALA 44 -0.705 3.342 1.202 341 H HIS 45 H HIS 45 2.187 2.057 3.981 342 HA HIS 45 HA HIS 45 4.085 1.003 1.984 343 1HB HIS 45 2HB HIS 45 5.695 0.336 3.537 344 2HB HIS 45 3HB HIS 45 5.458 2.092 3.689 345 HD1 HIS 45 1HD HIS 45 6.230 2.439 6.004 346 HD2 HIS 45 2HD HIS 45 3.869 -1.008 5.592 347 HE1 HIS 45 1HE HIS 45 5.925 1.461 8.358 348 H ILE 46 H ILE 46 4.359 -1.209 2.105 349 HA ILE 46 HA ILE 46 2.322 -2.611 3.741 350 HB ILE 46 HB ILE 46 3.289 -3.412 0.968 351 1HG1 ILE 46 2HG1 ILE 46 0.744 -3.206 0.506 352 2HG1 ILE 46 3HG1 ILE 46 0.654 -2.225 1.968 353 1HG2 ILE 46 1HG2 ILE 46 2.766 -5.250 2.586 354 2HG2 ILE 46 2HG2 ILE 46 1.144 -4.553 2.783 355 3HG2 ILE 46 3HG2 ILE 46 1.654 -5.218 1.217 356 1HD1 ILE 46 1HD1 ILE 46 2.488 -1.508 -0.359 357 2HD1 ILE 46 2HD1 ILE 46 0.773 -1.044 -0.309 358 3HD1 ILE 46 3HD1 ILE 46 1.869 -0.434 0.915 359 H LYS 47 H LYS 47 3.162 -4.055 5.049 360 HA LYS 47 HA LYS 47 6.014 -4.915 4.793 361 1HB LYS 47 2HB LYS 47 4.148 -5.129 7.190 362 2HB LYS 47 3HB LYS 47 5.814 -5.726 7.054 363 1HG LYS 47 2HG LYS 47 6.348 -3.198 6.429 364 2HG LYS 47 3HG LYS 47 4.797 -2.872 7.217 365 1HD LYS 47 2HD LYS 47 5.594 -4.062 9.251 366 2HD LYS 47 3HD LYS 47 7.130 -4.426 8.430 367 1HE LYS 47 2HE LYS 47 7.541 -1.953 8.157 368 2HE LYS 47 3HE LYS 47 6.062 -1.627 9.075 369 1HZ LYS 47 1HZ LYS 47 8.009 -1.497 10.447 370 2HZ LYS 47 2HZ LYS 47 7.064 -2.743 10.955 371 3HZ LYS 47 3HZ LYS 47 8.437 -3.045 10.095 372 H TYR 48 H TYR 48 6.234 -7.143 4.180 373 HA TYR 48 HA TYR 48 3.950 -8.878 4.192 374 1HB TYR 48 2HB TYR 48 3.500 -8.943 1.832 375 2HB TYR 48 3HB TYR 48 3.265 -7.297 2.357 376 HD1 TYR 48 HD1 TYR 48 3.361 -8.085 -0.413 377 HD2 TYR 48 HD2 TYR 48 6.600 -6.869 2.158 378 HE1 TYR 48 HE1 TYR 48 4.634 -7.305 -2.372 379 HE2 TYR 48 HE2 TYR 48 7.875 -6.128 0.204 380 HH TYR 48 HH TYR 48 6.593 -6.389 -3.121 381 H ASP 49 H ASP 49 4.360 -10.908 2.828 382 HA ASP 49 HA ASP 49 7.294 -11.341 2.544 383 1HB ASP 49 2HB ASP 49 5.978 -13.172 3.538 384 2HB ASP 49 3HB ASP 49 5.096 -13.320 2.008 385 HA PRO 50 HA PRO 50 6.269 -9.683 -1.558 386 1HB PRO 50 2HB PRO 50 8.741 -9.888 -2.755 387 2HB PRO 50 3HB PRO 50 8.320 -8.615 -1.577 388 1HG PRO 50 2HG PRO 50 9.796 -11.194 -1.038 389 2HG PRO 50 3HG PRO 50 10.214 -9.551 -0.484 390 1HD PRO 50 2HD PRO 50 8.900 -11.349 1.065 391 2HD PRO 50 3HD PRO 50 8.501 -9.597 1.161 392 H GLU 51 H GLU 51 7.764 -12.902 -0.939 393 HA GLU 51 HA GLU 51 7.725 -13.502 -3.852 394 1HB GLU 51 2HB GLU 51 9.161 -14.651 -1.447 395 2HB GLU 51 3HB GLU 51 9.176 -15.459 -3.020 396 1HG GLU 51 2HG GLU 51 10.375 -13.755 -4.084 397 2HG GLU 51 3HG GLU 51 9.916 -12.526 -2.906 398 H ILE 52 H ILE 52 5.334 -13.279 -2.577 399 HA ILE 52 HA ILE 52 4.161 -15.865 -3.313 400 HB ILE 52 HB ILE 52 2.521 -15.731 -1.385 401 1HG1 ILE 52 2HG1 ILE 52 4.605 -13.941 -0.117 402 2HG1 ILE 52 3HG1 ILE 52 2.940 -13.516 -0.543 403 1HG2 ILE 52 1HG2 ILE 52 4.444 -17.387 -1.623 404 2HG2 ILE 52 2HG2 ILE 52 5.373 -16.349 -0.522 405 3HG2 ILE 52 3HG2 ILE 52 3.877 -17.132 0.023 406 1HD1 ILE 52 1HD1 ILE 52 3.757 -15.496 1.592 407 2HD1 ILE 52 2HD1 ILE 52 2.933 -13.945 1.783 408 3HD1 ILE 52 3HD1 ILE 52 2.089 -15.287 0.998 409 H ILE 53 H ILE 53 3.500 -12.566 -2.235 410 HA ILE 53 HA ILE 53 1.103 -12.423 -3.975 411 HB ILE 53 HB ILE 53 0.676 -11.747 -1.798 412 1HG1 ILE 53 2HG1 ILE 53 1.115 -9.039 -3.071 413 2HG1 ILE 53 3HG1 ILE 53 -0.005 -10.202 -3.799 414 1HG2 ILE 53 1HG2 ILE 53 1.902 -9.882 -0.624 415 2HG2 ILE 53 2HG2 ILE 53 2.823 -11.347 -0.819 416 3HG2 ILE 53 3HG2 ILE 53 3.144 -9.963 -1.883 417 1HD1 ILE 53 1HD1 ILE 53 -1.106 -8.617 -2.202 418 2HD1 ILE 53 2HD1 ILE 53 -1.318 -10.337 -1.800 419 3HD1 ILE 53 3HD1 ILE 53 -0.182 -9.324 -0.879 420 H GLY 54 H GLY 54 4.279 -10.862 -3.580 421 1HA GLY 54 2HA GLY 54 5.515 -9.686 -5.041 422 2HA GLY 54 1HA GLY 54 4.309 -9.903 -6.318 423 HA PRO 55 HA PRO 55 4.054 -5.549 -4.216 424 1HB PRO 55 2HB PRO 55 5.596 -4.032 -5.920 425 2HB PRO 55 3HB PRO 55 6.229 -4.815 -4.455 426 1HG PRO 55 2HG PRO 55 6.373 -5.826 -7.300 427 2HG PRO 55 3HG PRO 55 7.687 -5.760 -6.090 428 1HD PRO 55 2HD PRO 55 6.286 -8.049 -6.570 429 2HD PRO 55 3HD PRO 55 6.804 -7.638 -4.914 430 H ARG 56 H ARG 56 4.040 -6.790 -7.528 431 HA ARG 56 HA ARG 56 2.680 -4.727 -8.847 432 1HB ARG 56 2HB ARG 56 2.583 -7.733 -9.324 433 2HB ARG 56 3HB ARG 56 1.970 -6.503 -10.444 434 1HG ARG 56 2HG ARG 56 4.199 -5.505 -10.653 435 2HG ARG 56 3HG ARG 56 4.869 -6.670 -9.493 436 1HD ARG 56 2HD ARG 56 4.237 -8.533 -10.983 437 2HD ARG 56 3HD ARG 56 3.605 -7.364 -12.175 438 HE ARG 56 HE ARG 56 6.229 -6.568 -11.636 439 1HH1 ARG 56 2HH2 ARG 56 4.629 -9.391 -12.998 440 2HH1 ARG 56 1HH2 ARG 56 5.967 -9.894 -13.984 441 1HH2 ARG 56 2HH1 ARG 56 8.043 -7.187 -12.935 442 2HH2 ARG 56 1HH1 ARG 56 7.957 -8.587 -13.950 443 H ASP 57 H ASP 57 1.250 -7.604 -7.211 444 HA ASP 57 HA ASP 57 -1.451 -7.165 -7.813 445 1HB ASP 57 2HB ASP 57 -0.624 -9.203 -6.664 446 2HB ASP 57 3HB ASP 57 -0.187 -8.249 -5.245 447 H ILE 58 H ILE 58 0.374 -6.134 -4.979 448 HA ILE 58 HA ILE 58 -1.546 -4.511 -3.704 449 HB ILE 58 HB ILE 58 1.489 -4.531 -3.748 450 1HG1 ILE 58 2HG1 ILE 58 -0.380 -5.340 -1.497 451 2HG1 ILE 58 3HG1 ILE 58 -0.024 -6.462 -2.805 452 1HG2 ILE 58 1HG2 ILE 58 -0.305 -2.898 -1.908 453 2HG2 ILE 58 2HG2 ILE 58 1.447 -3.151 -1.722 454 3HG2 ILE 58 3HG2 ILE 58 0.840 -2.250 -3.100 455 1HD1 ILE 58 1HD1 ILE 58 1.430 -6.836 -0.903 456 2HD1 ILE 58 2HD1 ILE 58 2.343 -6.390 -2.361 457 3HD1 ILE 58 3HD1 ILE 58 2.113 -5.203 -1.058 458 H ILE 59 H ILE 59 1.131 -3.369 -5.867 459 HA ILE 59 HA ILE 59 0.279 -0.684 -5.855 460 HB ILE 59 HB ILE 59 1.931 -2.348 -7.759 461 1HG1 ILE 59 2HG1 ILE 59 2.760 0.047 -6.145 462 2HG1 ILE 59 3HG1 ILE 59 2.704 -1.583 -5.441 463 1HG2 ILE 59 1HG2 ILE 59 0.884 -0.675 -9.227 464 2HG2 ILE 59 2HG2 ILE 59 1.354 0.617 -8.097 465 3HG2 ILE 59 3HG2 ILE 59 2.582 -0.304 -8.985 466 1HD1 ILE 59 1HD1 ILE 59 4.956 -1.148 -6.158 467 2HD1 ILE 59 2HD1 ILE 59 4.260 -2.377 -7.232 468 3HD1 ILE 59 3HD1 ILE 59 4.431 -0.696 -7.786 469 H HIS 60 H HIS 60 -0.692 -3.301 -8.074 470 HA HIS 60 HA HIS 60 -2.285 -1.644 -9.809 471 1HB HIS 60 2HB HIS 60 -2.330 -4.626 -9.188 472 2HB HIS 60 3HB HIS 60 -3.376 -3.852 -10.376 473 HD1 HIS 60 1HD HIS 60 -2.380 -5.083 -12.442 474 HD2 HIS 60 2HD HIS 60 0.431 -2.944 -10.153 475 HE1 HIS 60 1HE HIS 60 -0.194 -5.078 -13.763 476 H THR 61 H THR 61 -2.989 -3.527 -6.840 477 HA THR 61 HA THR 61 -5.819 -3.060 -6.894 478 HB THR 61 HB THR 61 -3.996 -3.607 -4.509 479 HG1 THR 61 1HG THR 61 -3.981 -5.271 -6.033 480 1HG2 THR 61 1HG2 THR 61 -6.192 -2.675 -3.793 481 2HG2 THR 61 2HG2 THR 61 -7.022 -3.850 -4.838 482 3HG2 THR 61 3HG2 THR 61 -6.081 -4.402 -3.440 483 H ILE 62 H ILE 62 -3.137 -1.332 -5.185 484 HA ILE 62 HA ILE 62 -4.912 0.603 -4.056 485 HB ILE 62 HB ILE 62 -1.905 0.741 -4.475 486 1HG1 ILE 62 2HG1 ILE 62 -2.247 -1.114 -3.048 487 2HG1 ILE 62 3HG1 ILE 62 -1.945 0.217 -1.952 488 1HG2 ILE 62 1HG2 ILE 62 -2.743 2.976 -4.091 489 2HG2 ILE 62 2HG2 ILE 62 -3.758 2.425 -2.739 490 3HG2 ILE 62 3HG2 ILE 62 -1.993 2.399 -2.605 491 1HD1 ILE 62 1HD1 ILE 62 -3.767 -1.098 -1.091 492 2HD1 ILE 62 2HD1 ILE 62 -4.477 0.416 -1.667 493 3HD1 ILE 62 3HD1 ILE 62 -4.614 -1.086 -2.626 494 H GLU 63 H GLU 63 -3.099 0.636 -7.169 495 HA GLU 63 HA GLU 63 -3.809 3.203 -8.006 496 1HB GLU 63 2HB GLU 63 -2.234 1.679 -9.068 497 2HB GLU 63 3HB GLU 63 -3.513 0.559 -9.510 498 1HG GLU 63 2HG GLU 63 -3.428 3.440 -10.455 499 2HG GLU 63 3HG GLU 63 -2.628 2.084 -11.277 500 H SER 64 H SER 64 -5.497 0.147 -8.794 501 HA SER 64 HA SER 64 -7.801 1.313 -9.825 502 1HB SER 64 2HB SER 64 -7.115 -0.996 -10.170 503 2HB SER 64 3HB SER 64 -7.538 -1.397 -8.489 504 HG SER 64 HG SER 64 -9.698 -0.364 -9.257 505 H LEU 65 H LEU 65 -7.019 0.783 -6.442 506 HA LEU 65 HA LEU 65 -9.674 1.126 -5.388 507 1HB LEU 65 2HB LEU 65 -7.689 -0.045 -4.320 508 2HB LEU 65 3HB LEU 65 -7.010 1.560 -4.024 509 HG LEU 65 HG LEU 65 -9.039 2.051 -2.643 510 1HD1 LEU 65 1HD1 LEU 65 -9.612 -0.911 -3.093 511 2HD1 LEU 65 2HD1 LEU 65 -10.366 0.068 -1.824 512 3HD1 LEU 65 3HD1 LEU 65 -10.677 0.446 -3.522 513 1HD2 LEU 65 1HD2 LEU 65 -6.897 1.283 -1.654 514 2HD2 LEU 65 2HD2 LEU 65 -8.289 0.703 -0.723 515 3HD2 LEU 65 3HD2 LEU 65 -7.431 -0.398 -1.824 516 H GLY 66 H GLY 66 -7.636 3.338 -6.929 517 1HA GLY 66 2HA GLY 66 -8.527 5.360 -7.631 518 2HA GLY 66 1HA GLY 66 -9.476 5.525 -6.148 519 H PHE 67 H PHE 67 -5.975 4.894 -6.810 520 HA PHE 67 HA PHE 67 -5.220 7.442 -5.526 521 1HB PHE 67 2HB PHE 67 -4.186 4.718 -4.634 522 2HB PHE 67 3HB PHE 67 -3.634 6.269 -4.017 523 HD1 PHE 67 1HD PHE 67 -5.571 7.840 -3.107 524 HD2 PHE 67 2HD PHE 67 -5.847 3.561 -3.386 525 HE1 PHE 67 1HE PHE 67 -7.525 7.873 -1.594 526 HE2 PHE 67 2HE PHE 67 -7.634 3.568 -1.668 527 HZ PHE 67 HZ PHE 67 -8.456 5.713 -0.742 528 H GLU 68 H GLU 68 -2.769 7.699 -5.713 529 HA GLU 68 HA GLU 68 -1.821 6.486 -8.288 530 1HB GLU 68 2HB GLU 68 -0.864 9.079 -7.086 531 2HB GLU 68 3HB GLU 68 -0.590 8.463 -8.702 532 1HG GLU 68 2HG GLU 68 -2.942 8.824 -9.291 533 2HG GLU 68 3HG GLU 68 -3.325 9.317 -7.630 534 HA PRO 69 HA PRO 69 1.054 5.038 -4.995 535 1HB PRO 69 2HB PRO 69 1.219 2.378 -5.582 536 2HB PRO 69 3HB PRO 69 -0.154 3.080 -4.681 537 1HG PRO 69 2HG PRO 69 -0.010 2.493 -7.649 538 2HG PRO 69 3HG PRO 69 -1.276 2.016 -6.487 539 1HD PRO 69 2HD PRO 69 -1.512 4.236 -8.068 540 2HD PRO 69 3HD PRO 69 -2.111 4.232 -6.382 541 H SER 70 H SER 70 2.713 6.266 -5.824 542 HA SER 70 HA SER 70 4.374 5.020 -7.973 543 1HB SER 70 2HB SER 70 3.841 7.444 -8.120 544 2HB SER 70 3HB SER 70 4.783 7.685 -6.624 545 HG SER 70 HG SER 70 6.613 6.982 -7.724 546 H LEU 71 H LEU 71 6.315 4.242 -7.535 547 HA LEU 71 HA LEU 71 7.134 3.769 -4.747 548 1HB LEU 71 2HB LEU 71 7.109 2.116 -6.902 549 2HB LEU 71 3HB LEU 71 8.758 2.729 -7.061 550 HG LEU 71 HG LEU 71 7.463 1.481 -4.621 551 1HD1 LEU 71 1HD1 LEU 71 9.602 0.400 -6.514 552 2HD1 LEU 71 2HD1 LEU 71 9.011 -0.424 -5.057 553 3HD1 LEU 71 3HD1 LEU 71 7.911 -0.144 -6.420 554 1HD2 LEU 71 1HD2 LEU 71 9.783 1.419 -3.654 555 2HD2 LEU 71 2HD2 LEU 71 10.354 2.392 -5.029 556 3HD2 LEU 71 3HD2 LEU 71 9.192 3.063 -3.861 557 H VAL 72 H VAL 72 8.136 5.587 -3.939 558 HA VAL 72 HA VAL 72 9.388 7.524 -5.608 559 HB VAL 72 HB VAL 72 10.085 8.614 -3.538 560 1HG1 VAL 72 1HG1 VAL 72 7.249 7.529 -3.347 561 2HG1 VAL 72 2HG1 VAL 72 7.870 9.051 -2.672 562 3HG1 VAL 72 3HG1 VAL 72 7.769 8.843 -4.428 563 1HG2 VAL 72 1HG2 VAL 72 9.023 6.139 -2.088 564 2HG2 VAL 72 2HG2 VAL 72 10.692 6.750 -2.071 565 3HG2 VAL 72 3HG2 VAL 72 9.403 7.694 -1.331 566 H LYS 73 H LYS 73 10.799 4.893 -3.618 567 HA LYS 73 HA LYS 73 13.233 4.803 -5.068 568 1HB LYS 73 2HB LYS 73 13.513 6.946 -3.648 569 2HB LYS 73 3HB LYS 73 13.275 5.939 -2.219 570 1HG LYS 73 2HG LYS 73 15.597 6.258 -2.415 571 2HG LYS 73 3HG LYS 73 15.304 4.618 -2.954 572 1HD LYS 73 2HD LYS 73 15.092 6.149 -5.334 573 2HD LYS 73 3HD LYS 73 16.345 6.993 -4.431 574 1HE LYS 73 2HE LYS 73 16.277 4.032 -5.176 575 2HE LYS 73 3HE LYS 73 17.325 5.247 -5.910 576 1HZ LYS 73 1HZ LYS 73 18.172 3.706 -4.111 577 2HZ LYS 73 2HZ LYS 73 18.622 5.304 -3.958 578 3HZ LYS 73 3HZ LYS 73 17.447 4.641 -3.020 579 H ILE 74 H ILE 74 14.487 2.964 -4.199 580 HA ILE 74 HA ILE 74 12.880 1.207 -2.402 581 HB ILE 74 HB ILE 74 13.936 -0.694 -3.329 582 1HG1 ILE 74 2HG1 ILE 74 15.452 1.209 -5.164 583 2HG1 ILE 74 3HG1 ILE 74 16.101 0.067 -3.962 584 1HG2 ILE 74 1HG2 ILE 74 12.835 1.064 -5.559 585 2HG2 ILE 74 2HG2 ILE 74 12.748 -0.706 -5.432 586 3HG2 ILE 74 3HG2 ILE 74 11.849 0.294 -4.298 587 1HD1 ILE 74 1HD1 ILE 74 16.435 -0.883 -6.113 588 2HD1 ILE 74 2HD1 ILE 74 15.181 -1.826 -5.285 589 3HD1 ILE 74 3HD1 ILE 74 14.739 -0.665 -6.566 590 H GLU 75 H GLU 75 16.424 2.044 -3.009 591 HA GLU 75 HA GLU 75 16.915 1.478 -0.164 592 1HB GLU 75 2HB GLU 75 18.980 2.734 -1.944 593 2HB GLU 75 3HB GLU 75 19.125 1.586 -0.628 594 1HG GLU 75 2HG GLU 75 19.657 0.258 -2.429 595 2HG GLU 75 3HG GLU 75 17.931 -0.088 -2.325 Start of MODEL 17 1 1H MET 1 H1 MET 1 13.311 -17.423 5.974 2 2H MET 1 H2 MET 1 13.133 -17.126 7.613 3 3H MET 1 H3 MET 1 11.868 -17.693 6.690 4 HA MET 1 HA MET 1 11.397 -15.456 6.848 5 1HB MET 1 2HB MET 1 14.396 -15.146 6.357 6 2HB MET 1 3HB MET 1 13.259 -13.832 6.059 7 1HG MET 1 2HG MET 1 12.442 -14.009 8.422 8 2HG MET 1 3HG MET 1 13.680 -15.240 8.719 9 1HE MET 1 1HE MET 1 12.853 -11.478 8.265 10 2HE MET 1 2HE MET 1 14.457 -10.736 8.078 11 3HE MET 1 3HE MET 1 13.782 -11.730 6.770 12 H GLY 2 H GLY 2 10.839 -14.181 5.017 13 1HA GLY 2 2HA GLY 2 11.730 -14.565 2.335 14 2HA GLY 2 1HA GLY 2 10.291 -15.579 2.583 15 H ASP 3 H ASP 3 11.005 -12.596 4.267 16 HA ASP 3 HA ASP 3 8.392 -11.440 3.546 17 1HB ASP 3 2HB ASP 3 8.433 -10.806 5.971 18 2HB ASP 3 3HB ASP 3 8.350 -12.542 5.662 19 H GLY 4 H GLY 4 8.238 -9.109 3.736 20 1HA GLY 4 2HA GLY 4 10.587 -7.487 4.215 21 2HA GLY 4 1HA GLY 4 10.246 -7.685 2.479 22 H VAL 5 H VAL 5 9.992 -5.259 2.771 23 HA VAL 5 HA VAL 5 7.160 -4.677 3.211 24 HB VAL 5 HB VAL 5 7.480 -2.759 4.500 25 1HG1 VAL 5 1HG1 VAL 5 8.670 -3.392 6.485 26 2HG1 VAL 5 2HG1 VAL 5 7.947 -4.862 5.806 27 3HG1 VAL 5 3HG1 VAL 5 9.683 -4.544 5.601 28 1HG2 VAL 5 1HG2 VAL 5 10.439 -2.788 3.861 29 2HG2 VAL 5 2HG2 VAL 5 9.213 -1.625 3.287 30 3HG2 VAL 5 3HG2 VAL 5 9.623 -1.687 5.000 31 H LEU 6 H LEU 6 6.434 -2.803 2.053 32 HA LEU 6 HA LEU 6 8.109 -1.937 -0.233 33 1HB LEU 6 2HB LEU 6 6.639 -3.788 -1.045 34 2HB LEU 6 3HB LEU 6 5.241 -2.975 -0.342 35 HG LEU 6 HG LEU 6 5.739 -1.015 -1.937 36 1HD1 LEU 6 1HD1 LEU 6 8.071 -1.596 -2.527 37 2HD1 LEU 6 2HD1 LEU 6 7.519 -3.135 -3.225 38 3HD1 LEU 6 3HD1 LEU 6 7.039 -1.594 -3.963 39 1HD2 LEU 6 1HD2 LEU 6 3.893 -2.554 -2.295 40 2HD2 LEU 6 2HD2 LEU 6 4.673 -2.200 -3.846 41 3HD2 LEU 6 3HD2 LEU 6 4.979 -3.748 -3.025 42 H GLU 7 H GLU 7 7.671 0.272 -0.690 43 HA GLU 7 HA GLU 7 5.509 1.595 0.842 44 1HB GLU 7 2HB GLU 7 8.281 2.780 0.476 45 2HB GLU 7 3HB GLU 7 6.919 3.448 1.376 46 1HG GLU 7 2HG GLU 7 7.048 1.598 3.003 47 2HG GLU 7 3HG GLU 7 8.412 0.883 2.134 48 H LEU 8 H LEU 8 4.423 3.096 -0.406 49 HA LEU 8 HA LEU 8 5.668 4.045 -2.879 50 1HB LEU 8 2HB LEU 8 3.714 3.438 -4.283 51 2HB LEU 8 3HB LEU 8 4.707 2.081 -3.806 52 HG LEU 8 HG LEU 8 2.396 1.533 -3.862 53 1HD1 LEU 8 1HD1 LEU 8 2.142 0.277 -1.949 54 2HD1 LEU 8 2HD1 LEU 8 3.881 0.341 -2.272 55 3HD1 LEU 8 3HD1 LEU 8 3.172 1.317 -0.962 56 1HD2 LEU 8 1HD2 LEU 8 1.869 3.317 -1.498 57 2HD2 LEU 8 2HD2 LEU 8 1.543 3.806 -3.170 58 3HD2 LEU 8 3HD2 LEU 8 0.698 2.413 -2.461 59 H VAL 9 H VAL 9 4.683 5.940 -3.679 60 HA VAL 9 HA VAL 9 3.286 7.493 -1.569 61 HB VAL 9 HB VAL 9 5.110 8.191 -3.841 62 1HG1 VAL 9 1HG1 VAL 9 4.471 10.569 -3.650 63 2HG1 VAL 9 2HG1 VAL 9 3.173 9.608 -4.364 64 3HG1 VAL 9 3HG1 VAL 9 3.066 10.118 -2.664 65 1HG2 VAL 9 1HG2 VAL 9 5.868 7.948 -1.456 66 2HG2 VAL 9 2HG2 VAL 9 6.080 9.607 -2.056 67 3HG2 VAL 9 3HG2 VAL 9 4.716 9.216 -0.984 68 H VAL 10 H VAL 10 1.219 8.186 -1.906 69 HA VAL 10 HA VAL 10 -0.140 7.099 -4.337 70 HB VAL 10 HB VAL 10 -1.925 6.917 -2.123 71 1HG1 VAL 10 1HG1 VAL 10 -2.191 4.736 -2.808 72 2HG1 VAL 10 2HG1 VAL 10 -1.872 5.642 -4.303 73 3HG1 VAL 10 3HG1 VAL 10 -0.595 4.653 -3.581 74 1HG2 VAL 10 1HG2 VAL 10 0.671 5.409 -1.677 75 2HG2 VAL 10 2HG2 VAL 10 0.045 6.702 -0.628 76 3HG2 VAL 10 3HG2 VAL 10 -0.849 5.181 -0.795 77 H ARG 11 H ARG 11 -0.257 9.087 -5.331 78 HA ARG 11 HA ARG 11 -1.462 11.390 -3.977 79 1HB ARG 11 2HB ARG 11 -1.040 10.761 -6.905 80 2HB ARG 11 3HB ARG 11 -1.833 12.224 -6.353 81 1HG ARG 11 2HG ARG 11 0.976 11.393 -5.483 82 2HG ARG 11 3HG ARG 11 0.630 12.354 -6.928 83 1HD ARG 11 2HD ARG 11 -0.552 14.040 -5.520 84 2HD ARG 11 3HD ARG 11 -0.042 13.200 -4.062 85 HE ARG 11 HE ARG 11 1.507 14.895 -5.858 86 1HH1 ARG 11 2HH2 ARG 11 1.797 12.365 -3.372 87 2HH1 ARG 11 1HH2 ARG 11 3.474 12.669 -3.065 88 1HH2 ARG 11 2HH1 ARG 11 3.718 15.331 -5.416 89 2HH2 ARG 11 1HH1 ARG 11 4.576 14.416 -4.222 90 H GLY 12 H GLY 12 -3.607 12.149 -4.293 91 1HA GLY 12 2HA GLY 12 -5.851 11.912 -4.908 92 2HA GLY 12 1HA GLY 12 -5.656 10.182 -5.154 93 H MET 13 H MET 13 -4.162 10.732 -2.200 94 HA MET 13 HA MET 13 -6.341 9.539 -0.768 95 1HB MET 13 2HB MET 13 -3.707 10.653 0.179 96 2HB MET 13 3HB MET 13 -4.797 9.719 1.205 97 1HG MET 13 2HG MET 13 -4.444 7.727 -0.021 98 2HG MET 13 3HG MET 13 -3.743 8.585 -1.383 99 1HE MET 13 1HE MET 13 -1.436 7.749 2.523 100 2HE MET 13 2HE MET 13 -2.895 8.778 2.553 101 3HE MET 13 3HE MET 13 -3.031 7.044 2.164 102 H THR 14 H THR 14 -7.559 11.805 -1.599 103 HA THR 14 HA THR 14 -6.933 14.116 0.037 104 HB THR 14 HB THR 14 -7.365 14.307 -2.337 105 HG1 THR 14 1HG THR 14 -9.268 15.561 -0.677 106 1HG2 THR 14 1HG2 THR 14 -9.635 14.155 -3.266 107 2HG2 THR 14 2HG2 THR 14 -9.089 12.570 -2.708 108 3HG2 THR 14 3HG2 THR 14 -10.251 13.500 -1.741 109 H CYS 15 H CYS 15 -7.919 12.033 1.749 110 HA CYS 15 HA CYS 15 -9.787 13.519 3.302 111 1HB CYS 15 2HB CYS 15 -11.532 12.847 1.704 112 2HB CYS 15 3HB CYS 15 -10.979 11.159 1.764 113 HG CYS 15 HG CYS 15 -13.208 11.363 3.061 114 H ALA 16 H ALA 16 -9.820 12.649 5.408 115 HA ALA 16 HA ALA 16 -7.870 11.007 6.390 116 1HB ALA 16 1HB ALA 16 -9.333 10.668 8.349 117 2HB ALA 16 2HB ALA 16 -9.379 12.352 7.788 118 3HB ALA 16 3HB ALA 16 -10.728 11.252 7.421 119 H SER 17 H SER 17 -11.179 9.860 5.453 120 HA SER 17 HA SER 17 -11.066 7.206 6.048 121 1HB SER 17 2HB SER 17 -12.164 8.345 3.454 122 2HB SER 17 3HB SER 17 -12.753 6.955 4.390 123 HG SER 17 HG SER 17 -14.003 8.790 4.897 124 H CYS 18 H CYS 18 -9.325 8.808 3.397 125 HA CYS 18 HA CYS 18 -8.749 6.618 1.690 126 1HB CYS 18 2HB CYS 18 -6.987 9.002 2.332 127 2HB CYS 18 3HB CYS 18 -6.773 7.838 1.017 128 HG CYS 18 HG CYS 18 -9.333 9.815 1.597 129 H VAL 19 H VAL 19 -7.367 7.497 4.865 130 HA VAL 19 HA VAL 19 -5.157 5.807 4.838 131 HB VAL 19 HB VAL 19 -7.008 6.587 7.115 132 1HG1 VAL 19 1HG1 VAL 19 -5.767 4.542 7.773 133 2HG1 VAL 19 2HG1 VAL 19 -4.245 5.304 7.268 134 3HG1 VAL 19 3HG1 VAL 19 -5.166 5.963 8.630 135 1HG2 VAL 19 1HG2 VAL 19 -5.764 8.464 5.983 136 2HG2 VAL 19 2HG2 VAL 19 -5.215 8.193 7.641 137 3HG2 VAL 19 3HG2 VAL 19 -4.246 7.600 6.278 138 H HIS 20 H HIS 20 -8.330 4.909 6.349 139 HA HIS 20 HA HIS 20 -7.531 2.172 6.366 140 1HB HIS 20 2HB HIS 20 -9.194 1.814 7.738 141 2HB HIS 20 3HB HIS 20 -9.377 3.556 7.786 142 HD1 HIS 20 1HD HIS 20 -11.536 0.756 7.661 143 HD2 HIS 20 2HD HIS 20 -11.121 4.235 5.359 144 HE1 HIS 20 1HE HIS 20 -13.790 1.178 6.541 145 H LYS 21 H LYS 21 -9.215 4.117 3.975 146 HA LYS 21 HA LYS 21 -10.376 2.168 2.352 147 1HB LYS 21 2HB LYS 21 -9.941 4.828 2.135 148 2HB LYS 21 3HB LYS 21 -8.762 4.280 0.963 149 1HG LYS 21 2HG LYS 21 -11.758 3.682 1.003 150 2HG LYS 21 3HG LYS 21 -10.946 4.906 0.019 151 1HD LYS 21 2HD LYS 21 -9.601 3.009 -1.064 152 2HD LYS 21 3HD LYS 21 -10.619 1.882 -0.165 153 1HE LYS 21 2HE LYS 21 -11.574 2.008 -2.339 154 2HE LYS 21 3HE LYS 21 -12.655 2.900 -1.263 155 1HZ LYS 21 1HZ LYS 21 -10.705 4.010 -3.193 156 2HZ LYS 21 2HZ LYS 21 -12.320 4.099 -3.272 157 3HZ LYS 21 3HZ LYS 21 -11.525 4.948 -2.109 158 H ILE 22 H ILE 22 -6.943 3.095 2.657 159 HA ILE 22 HA ILE 22 -6.134 1.045 0.678 160 HB ILE 22 HB ILE 22 -4.427 2.876 2.417 161 1HG1 ILE 22 2HG1 ILE 22 -5.390 3.138 -0.447 162 2HG1 ILE 22 3HG1 ILE 22 -5.784 4.186 0.928 163 1HG2 ILE 22 1HG2 ILE 22 -3.881 1.106 0.010 164 2HG2 ILE 22 2HG2 ILE 22 -2.698 2.235 0.694 165 3HG2 ILE 22 3HG2 ILE 22 -3.259 0.874 1.668 166 1HD1 ILE 22 1HD1 ILE 22 -3.125 4.055 -0.489 167 2HD1 ILE 22 2HD1 ILE 22 -4.267 5.391 -0.385 168 3HD1 ILE 22 3HD1 ILE 22 -3.404 4.876 1.073 169 H GLU 23 H GLU 23 -5.492 1.847 4.083 170 HA GLU 23 HA GLU 23 -3.987 -0.345 4.762 171 1HB GLU 23 2HB GLU 23 -4.948 1.931 6.022 172 2HB GLU 23 3HB GLU 23 -5.759 0.690 6.958 173 1HG GLU 23 2HG GLU 23 -3.607 -0.251 7.594 174 2HG GLU 23 3HG GLU 23 -2.767 0.759 6.393 175 H SER 24 H SER 24 -7.479 0.025 5.388 176 HA SER 24 HA SER 24 -7.784 -2.494 6.705 177 1HB SER 24 2HB SER 24 -9.260 -0.478 6.963 178 2HB SER 24 3HB SER 24 -9.977 -0.852 5.381 179 HG SER 24 HG SER 24 -9.892 -2.654 7.574 180 H SER 25 H SER 25 -8.410 -1.307 3.408 181 HA SER 25 HA SER 25 -9.505 -3.708 2.344 182 1HB SER 25 2HB SER 25 -9.663 -1.496 1.264 183 2HB SER 25 3HB SER 25 -7.935 -1.549 0.880 184 HG SER 25 HG SER 25 -8.311 -3.144 -0.555 185 H LEU 26 H LEU 26 -6.092 -2.617 2.714 186 HA LEU 26 HA LEU 26 -5.121 -4.891 1.217 187 1HB LEU 26 2HB LEU 26 -3.887 -2.610 2.618 188 2HB LEU 26 3HB LEU 26 -2.909 -4.093 2.505 189 HG LEU 26 HG LEU 26 -4.394 -3.096 0.081 190 1HD1 LEU 26 1HD1 LEU 26 -2.378 -1.907 -0.619 191 2HD1 LEU 26 2HD1 LEU 26 -3.104 -1.202 0.838 192 3HD1 LEU 26 3HD1 LEU 26 -1.634 -2.196 0.975 193 1HD2 LEU 26 1HD2 LEU 26 -2.714 -4.348 -1.133 194 2HD2 LEU 26 2HD2 LEU 26 -1.744 -4.596 0.339 195 3HD2 LEU 26 3HD2 LEU 26 -3.294 -5.418 0.143 196 H THR 27 H THR 27 -5.588 -4.257 4.723 197 HA THR 27 HA THR 27 -4.246 -6.605 5.592 198 HB THR 27 HB THR 27 -5.739 -6.264 7.658 199 HG1 THR 27 1HG THR 27 -7.257 -4.955 6.196 200 1HG2 THR 27 1HG2 THR 27 -4.031 -3.956 6.624 201 2HG2 THR 27 2HG2 THR 27 -4.500 -4.227 8.313 202 3HG2 THR 27 3HG2 THR 27 -3.432 -5.386 7.495 203 H LYS 28 H LYS 28 -4.901 -8.059 4.013 204 HA LYS 28 HA LYS 28 -6.600 -10.151 4.612 205 1HB LYS 28 2HB LYS 28 -8.354 -9.838 2.800 206 2HB LYS 28 3HB LYS 28 -8.623 -9.027 4.342 207 1HG LYS 28 2HG LYS 28 -8.278 -6.905 3.477 208 2HG LYS 28 3HG LYS 28 -7.295 -7.481 2.131 209 1HD LYS 28 2HD LYS 28 -10.144 -8.437 2.222 210 2HD LYS 28 3HD LYS 28 -9.939 -6.715 1.928 211 1HE LYS 28 2HE LYS 28 -8.358 -8.769 0.328 212 2HE LYS 28 3HE LYS 28 -10.005 -8.332 -0.146 213 1HZ LYS 28 1HZ LYS 28 -8.082 -6.207 0.338 214 2HZ LYS 28 2HZ LYS 28 -7.968 -7.000 -1.079 215 3HZ LYS 28 3HZ LYS 28 -9.369 -6.204 -0.669 216 H HIS 29 H HIS 29 -4.986 -8.198 2.074 217 HA HIS 29 HA HIS 29 -4.983 -10.110 0.012 218 1HB HIS 29 2HB HIS 29 -3.121 -7.866 0.815 219 2HB HIS 29 3HB HIS 29 -2.680 -8.954 -0.495 220 HD1 HIS 29 1HD HIS 29 -3.647 -8.326 -2.860 221 HD2 HIS 29 2HD HIS 29 -5.857 -6.863 0.419 222 HE1 HIS 29 1HE HIS 29 -5.836 -7.429 -3.780 223 H ARG 30 H ARG 30 -4.201 -12.092 -0.146 224 HA ARG 30 HA ARG 30 -3.189 -13.352 2.192 225 1HB ARG 30 2HB ARG 30 -3.546 -14.406 -0.639 226 2HB ARG 30 3HB ARG 30 -3.145 -15.380 0.781 227 1HG ARG 30 2HG ARG 30 -5.272 -14.522 1.891 228 2HG ARG 30 3HG ARG 30 -5.683 -13.727 0.367 229 1HD ARG 30 2HD ARG 30 -6.836 -15.854 0.485 230 2HD ARG 30 3HD ARG 30 -5.600 -15.918 -0.796 231 HE ARG 30 HE ARG 30 -4.539 -16.850 1.712 232 1HH1 ARG 30 2HH2 ARG 30 -6.698 -17.861 -0.874 233 2HH1 ARG 30 1HH2 ARG 30 -6.399 -19.563 -0.697 234 1HH2 ARG 30 2HH1 ARG 30 -4.094 -19.103 1.988 235 2HH2 ARG 30 1HH1 ARG 30 -4.883 -20.281 0.995 236 H GLY 31 H GLY 31 -1.278 -12.137 2.537 237 1HA GLY 31 2HA GLY 31 1.128 -13.336 2.391 238 2HA GLY 31 1HA GLY 31 1.071 -12.553 0.804 239 H ILE 32 H ILE 32 -0.761 -10.372 2.321 240 HA ILE 32 HA ILE 32 1.267 -8.566 3.204 241 HB ILE 32 HB ILE 32 -1.426 -8.496 2.466 242 1HG1 ILE 32 2HG1 ILE 32 0.291 -6.661 2.351 243 2HG1 ILE 32 3HG1 ILE 32 -1.407 -6.226 2.633 244 1HG2 ILE 32 1HG2 ILE 32 -2.161 -9.321 4.642 245 2HG2 ILE 32 2HG2 ILE 32 -1.280 -8.009 5.462 246 3HG2 ILE 32 3HG2 ILE 32 -2.646 -7.632 4.392 247 1HD1 ILE 32 1HD1 ILE 32 -1.059 -5.716 4.884 248 2HD1 ILE 32 2HD1 ILE 32 0.433 -6.664 4.942 249 3HD1 ILE 32 3HD1 ILE 32 0.416 -5.112 4.088 250 H LEU 33 H LEU 33 1.849 -8.171 5.390 251 HA LEU 33 HA LEU 33 0.641 -9.930 7.477 252 1HB LEU 33 2HB LEU 33 2.662 -10.236 8.618 253 2HB LEU 33 3HB LEU 33 2.882 -10.702 6.938 254 HG LEU 33 HG LEU 33 3.755 -8.125 6.807 255 1HD1 LEU 33 1HD1 LEU 33 4.561 -9.111 9.579 256 2HD1 LEU 33 2HD1 LEU 33 5.178 -7.660 8.771 257 3HD1 LEU 33 3HD1 LEU 33 3.477 -7.744 9.258 258 1HD2 LEU 33 1HD2 LEU 33 4.960 -10.104 5.984 259 2HD2 LEU 33 2HD2 LEU 33 6.040 -9.037 6.895 260 3HD2 LEU 33 3HD2 LEU 33 5.423 -10.525 7.645 261 H TYR 34 H TYR 34 1.746 -6.618 6.623 262 HA TYR 34 HA TYR 34 -0.122 -5.616 8.597 263 1HB TYR 34 2HB TYR 34 1.874 -5.998 10.036 264 2HB TYR 34 3HB TYR 34 2.858 -5.081 8.914 265 HD1 TYR 34 HD1 TYR 34 3.021 -2.701 9.053 266 HD2 TYR 34 HD2 TYR 34 -0.036 -4.781 11.267 267 HE1 TYR 34 HE1 TYR 34 2.585 -0.654 10.357 268 HE2 TYR 34 HE2 TYR 34 -0.541 -2.691 12.509 269 HH TYR 34 HH TYR 34 1.181 0.373 11.909 270 H CYS 35 H CYS 35 -0.450 -3.245 8.260 271 HA CYS 35 HA CYS 35 0.910 -2.064 5.899 272 1HB CYS 35 2HB CYS 35 -2.083 -2.507 6.239 273 2HB CYS 35 3HB CYS 35 -1.504 -0.983 5.550 274 HG CYS 35 HG CYS 35 -2.182 -2.326 3.608 275 H SER 36 H SER 36 0.890 0.248 5.989 276 HA SER 36 HA SER 36 -0.841 1.502 7.847 277 1HB SER 36 2HB SER 36 0.951 0.985 9.473 278 2HB SER 36 3HB SER 36 2.096 1.904 8.472 279 HG SER 36 HG SER 36 -0.319 2.998 9.491 280 H VAL 37 H VAL 37 -1.522 3.355 6.729 281 HA VAL 37 HA VAL 37 0.474 4.631 4.917 282 HB VAL 37 HB VAL 37 -1.179 4.871 3.276 283 1HG1 VAL 37 1HG1 VAL 37 -0.656 2.365 3.783 284 2HG1 VAL 37 2HG1 VAL 37 -2.244 2.320 4.563 285 3HG1 VAL 37 3HG1 VAL 37 -2.116 2.731 2.853 286 1HG2 VAL 37 1HG2 VAL 37 -2.919 5.915 4.610 287 2HG2 VAL 37 2HG2 VAL 37 -3.583 4.608 3.629 288 3HG2 VAL 37 3HG2 VAL 37 -3.307 4.343 5.364 289 H ALA 38 H ALA 38 0.139 6.931 4.520 290 HA ALA 38 HA ALA 38 -1.533 8.335 6.467 291 1HB ALA 38 1HB ALA 38 0.520 8.066 7.789 292 2HB ALA 38 2HB ALA 38 1.474 8.796 6.471 293 3HB ALA 38 3HB ALA 38 0.233 9.758 7.316 294 H LEU 39 H LEU 39 -2.282 10.129 5.676 295 HA LEU 39 HA LEU 39 -1.772 10.847 2.915 296 1HB LEU 39 2HB LEU 39 -3.553 12.437 3.154 297 2HB LEU 39 3HB LEU 39 -3.990 10.873 3.822 298 HG LEU 39 HG LEU 39 -3.177 12.041 6.130 299 1HD1 LEU 39 1HD1 LEU 39 -4.270 14.356 4.459 300 2HD1 LEU 39 2HD1 LEU 39 -3.903 14.388 6.194 301 3HD1 LEU 39 3HD1 LEU 39 -2.595 14.233 5.018 302 1HD2 LEU 39 1HD2 LEU 39 -5.370 11.023 5.726 303 2HD2 LEU 39 2HD2 LEU 39 -5.552 12.591 6.528 304 3HD2 LEU 39 3HD2 LEU 39 -5.879 12.442 4.787 305 H ALA 40 H ALA 40 -0.805 12.120 6.073 306 HA ALA 40 HA ALA 40 0.111 14.657 5.327 307 1HB ALA 40 1HB ALA 40 1.543 14.507 7.331 308 2HB ALA 40 2HB ALA 40 -0.090 13.894 7.656 309 3HB ALA 40 3HB ALA 40 1.257 12.756 7.420 310 H THR 41 H THR 41 1.801 11.517 5.146 311 HA THR 41 HA THR 41 4.122 12.779 3.743 312 HB THR 41 HB THR 41 3.802 9.987 4.875 313 HG1 THR 41 1HG THR 41 3.740 11.843 6.391 314 1HG2 THR 41 1HG2 THR 41 5.691 10.211 3.211 315 2HG2 THR 41 2HG2 THR 41 6.280 11.622 4.105 316 3HG2 THR 41 3HG2 THR 41 6.302 10.020 4.863 317 H ASN 42 H ASN 42 1.124 11.714 3.011 318 HA ASN 42 HA ASN 42 0.041 10.698 1.396 319 1HB ASN 42 2HB ASN 42 0.781 12.889 0.458 320 2HB ASN 42 3HB ASN 42 2.170 12.081 -0.288 321 1HD2 ASN 42 1HD2 ASN 42 -1.390 11.363 0.017 322 2HD2 ASN 42 2HD2 ASN 42 -1.526 10.840 -1.644 323 H LYS 43 H LYS 43 1.437 8.757 2.537 324 HA LYS 43 HA LYS 43 2.251 7.087 0.233 325 1HB LYS 43 2HB LYS 43 4.181 6.196 1.310 326 2HB LYS 43 3HB LYS 43 4.381 7.939 1.146 327 1HG LYS 43 2HG LYS 43 4.195 8.302 3.443 328 2HG LYS 43 3HG LYS 43 3.291 6.823 3.750 329 1HD LYS 43 2HD LYS 43 5.490 6.567 4.667 330 2HD LYS 43 3HD LYS 43 5.263 5.433 3.330 331 1HE LYS 43 2HE LYS 43 6.567 6.931 1.826 332 2HE LYS 43 3HE LYS 43 6.748 8.105 3.132 333 1HZ LYS 43 1HZ LYS 43 8.020 6.472 4.364 334 2HZ LYS 43 2HZ LYS 43 7.845 5.347 3.211 335 3HZ LYS 43 3HZ LYS 43 8.696 6.695 2.888 336 H ALA 44 H ALA 44 2.263 4.868 0.544 337 HA ALA 44 HA ALA 44 0.877 3.876 2.978 338 1HB ALA 44 1HB ALA 44 -0.652 3.566 1.063 339 2HB ALA 44 2HB ALA 44 0.633 2.747 0.160 340 3HB ALA 44 3HB ALA 44 -0.005 2.004 1.619 341 H HIS 45 H HIS 45 2.070 2.377 4.088 342 HA HIS 45 HA HIS 45 4.185 1.021 2.529 343 1HB HIS 45 2HB HIS 45 5.521 0.629 4.293 344 2HB HIS 45 3HB HIS 45 5.058 2.311 4.550 345 HD1 HIS 45 1HD HIS 45 4.966 2.582 7.079 346 HD2 HIS 45 2HD HIS 45 3.831 -1.267 5.801 347 HE1 HIS 45 1HE HIS 45 4.779 1.131 9.151 348 H ILE 46 H ILE 46 4.332 -1.102 2.694 349 HA ILE 46 HA ILE 46 2.119 -2.692 3.882 350 HB ILE 46 HB ILE 46 3.520 -2.794 1.185 351 1HG1 ILE 46 2HG1 ILE 46 0.754 -3.075 0.788 352 2HG1 ILE 46 3HG1 ILE 46 0.847 -1.910 2.103 353 1HG2 ILE 46 1HG2 ILE 46 3.437 -5.073 2.038 354 2HG2 ILE 46 2HG2 ILE 46 1.678 -4.918 2.248 355 3HG2 ILE 46 3HG2 ILE 46 2.423 -4.827 0.634 356 1HD1 ILE 46 1HD1 ILE 46 2.375 -0.488 0.762 357 2HD1 ILE 46 2HD1 ILE 46 2.294 -1.672 -0.560 358 3HD1 ILE 46 3HD1 ILE 46 0.836 -0.781 -0.068 359 H LYS 47 H LYS 47 2.871 -4.436 4.937 360 HA LYS 47 HA LYS 47 5.693 -5.316 4.662 361 1HB LYS 47 2HB LYS 47 3.957 -5.751 7.096 362 2HB LYS 47 3HB LYS 47 5.651 -6.199 6.842 363 1HG LYS 47 2HG LYS 47 6.077 -3.644 6.551 364 2HG LYS 47 3HG LYS 47 4.453 -3.428 7.222 365 1HD LYS 47 2HD LYS 47 5.122 -4.837 9.189 366 2HD LYS 47 3HD LYS 47 6.751 -4.977 8.508 367 1HE LYS 47 2HE LYS 47 7.048 -2.510 8.644 368 2HE LYS 47 3HE LYS 47 5.404 -2.329 9.271 369 1HZ LYS 47 1HZ LYS 47 7.585 -3.768 10.629 370 2HZ LYS 47 2HZ LYS 47 7.019 -2.275 11.021 371 3HZ LYS 47 3HZ LYS 47 6.050 -3.588 11.201 372 H TYR 48 H TYR 48 5.767 -7.502 4.025 373 HA TYR 48 HA TYR 48 3.491 -9.171 3.858 374 1HB TYR 48 2HB TYR 48 2.965 -8.917 1.527 375 2HB TYR 48 3HB TYR 48 2.900 -7.306 2.192 376 HD1 TYR 48 HD1 TYR 48 5.758 -6.369 2.107 377 HD2 TYR 48 HD2 TYR 48 3.476 -8.719 -0.705 378 HE1 TYR 48 HE1 TYR 48 7.308 -5.741 0.321 379 HE2 TYR 48 HE2 TYR 48 4.940 -7.917 -2.523 380 HH TYR 48 HH TYR 48 7.743 -5.791 -1.934 381 H ASP 49 H ASP 49 3.943 -10.952 2.127 382 HA ASP 49 HA ASP 49 6.767 -11.790 2.197 383 1HB ASP 49 2HB ASP 49 4.206 -13.186 1.449 384 2HB ASP 49 3HB ASP 49 5.825 -13.929 1.487 385 HA PRO 50 HA PRO 50 6.440 -9.926 -2.041 386 1HB PRO 50 2HB PRO 50 9.138 -9.866 -2.636 387 2HB PRO 50 3HB PRO 50 8.299 -8.617 -1.679 388 1HG PRO 50 2HG PRO 50 9.857 -10.990 -0.633 389 2HG PRO 50 3HG PRO 50 9.994 -9.280 -0.128 390 1HD PRO 50 2HD PRO 50 8.539 -11.010 1.286 391 2HD PRO 50 3HD PRO 50 7.893 -9.367 0.998 392 H GLU 51 H GLU 51 8.167 -12.821 -0.969 393 HA GLU 51 HA GLU 51 8.805 -13.990 -3.408 394 1HB GLU 51 2HB GLU 51 9.483 -14.722 -1.101 395 2HB GLU 51 3HB GLU 51 7.870 -15.416 -0.872 396 1HG GLU 51 2HG GLU 51 8.275 -16.956 -2.775 397 2HG GLU 51 3HG GLU 51 9.858 -16.205 -3.052 398 H ILE 52 H ILE 52 5.682 -14.057 -1.664 399 HA ILE 52 HA ILE 52 4.558 -15.874 -3.736 400 HB ILE 52 HB ILE 52 2.594 -15.913 -2.070 401 1HG1 ILE 52 2HG1 ILE 52 4.720 -15.379 0.005 402 2HG1 ILE 52 3HG1 ILE 52 3.754 -14.037 -0.593 403 1HG2 ILE 52 1HG2 ILE 52 3.736 -17.779 -0.868 404 2HG2 ILE 52 2HG2 ILE 52 4.077 -17.805 -2.601 405 3HG2 ILE 52 3HG2 ILE 52 5.298 -17.189 -1.466 406 1HD1 ILE 52 1HD1 ILE 52 2.741 -14.995 1.430 407 2HD1 ILE 52 2HD1 ILE 52 1.668 -15.186 0.035 408 3HD1 ILE 52 3HD1 ILE 52 2.599 -16.570 0.648 409 H ILE 53 H ILE 53 2.733 -13.416 -1.976 410 HA ILE 53 HA ILE 53 1.006 -13.036 -4.117 411 HB ILE 53 HB ILE 53 0.461 -12.626 -1.809 412 1HG1 ILE 53 2HG1 ILE 53 0.079 -9.925 -3.096 413 2HG1 ILE 53 3HG1 ILE 53 -0.579 -11.360 -3.885 414 1HG2 ILE 53 1HG2 ILE 53 1.106 -10.615 -0.569 415 2HG2 ILE 53 2HG2 ILE 53 2.561 -11.515 -1.009 416 3HG2 ILE 53 3HG2 ILE 53 2.095 -10.055 -1.911 417 1HD1 ILE 53 1HD1 ILE 53 -1.141 -10.578 -0.990 418 2HD1 ILE 53 2HD1 ILE 53 -2.253 -10.347 -2.363 419 3HD1 ILE 53 3HD1 ILE 53 -1.816 -11.981 -1.844 420 H GLY 54 H GLY 54 3.687 -11.020 -3.077 421 1HA GLY 54 2HA GLY 54 5.219 -9.903 -4.362 422 2HA GLY 54 1HA GLY 54 4.303 -10.274 -5.832 423 HA PRO 55 HA PRO 55 3.852 -5.807 -4.171 424 1HB PRO 55 2HB PRO 55 5.385 -4.425 -6.001 425 2HB PRO 55 3HB PRO 55 6.040 -5.167 -4.517 426 1HG PRO 55 2HG PRO 55 6.049 -6.357 -7.297 427 2HG PRO 55 3HG PRO 55 7.415 -6.216 -6.151 428 1HD PRO 55 2HD PRO 55 6.010 -8.524 -6.333 429 2HD PRO 55 3HD PRO 55 6.511 -7.912 -4.732 430 H ARG 56 H ARG 56 3.822 -7.078 -7.505 431 HA ARG 56 HA ARG 56 2.432 -5.013 -8.751 432 1HB ARG 56 2HB ARG 56 3.502 -6.768 -10.007 433 2HB ARG 56 3HB ARG 56 2.392 -7.998 -9.360 434 1HG ARG 56 2HG ARG 56 0.505 -7.024 -10.459 435 2HG ARG 56 3HG ARG 56 1.416 -5.565 -10.897 436 1HD ARG 56 2HD ARG 56 1.965 -8.378 -11.939 437 2HD ARG 56 3HD ARG 56 0.977 -7.196 -12.790 438 HE ARG 56 HE ARG 56 3.875 -7.307 -12.601 439 1HH1 ARG 56 2HH2 ARG 56 1.154 -5.014 -13.098 440 2HH1 ARG 56 1HH2 ARG 56 2.080 -3.976 -14.123 441 1HH2 ARG 56 2HH1 ARG 56 5.090 -5.845 -13.891 442 2HH2 ARG 56 1HH1 ARG 56 4.356 -4.409 -14.524 443 H ASP 57 H ASP 57 1.035 -7.889 -7.118 444 HA ASP 57 HA ASP 57 -1.702 -7.488 -7.628 445 1HB ASP 57 2HB ASP 57 -0.962 -9.494 -6.504 446 2HB ASP 57 3HB ASP 57 -0.209 -8.571 -5.196 447 H ILE 58 H ILE 58 0.270 -6.317 -4.937 448 HA ILE 58 HA ILE 58 -1.776 -4.794 -3.669 449 HB ILE 58 HB ILE 58 1.258 -4.859 -3.470 450 1HG1 ILE 58 2HG1 ILE 58 -1.056 -6.117 -1.918 451 2HG1 ILE 58 3HG1 ILE 58 0.147 -6.946 -2.908 452 1HG2 ILE 58 1HG2 ILE 58 -0.645 -3.437 -1.578 453 2HG2 ILE 58 2HG2 ILE 58 1.108 -3.668 -1.380 454 3HG2 ILE 58 3HG2 ILE 58 0.503 -2.652 -2.678 455 1HD1 ILE 58 1HD1 ILE 58 0.728 -7.342 -0.663 456 2HD1 ILE 58 2HD1 ILE 58 1.913 -6.169 -1.278 457 3HD1 ILE 58 3HD1 ILE 58 0.559 -5.638 -0.228 458 H ILE 59 H ILE 59 0.875 -3.707 -5.825 459 HA ILE 59 HA ILE 59 0.086 -0.973 -5.795 460 HB ILE 59 HB ILE 59 1.638 -2.679 -7.741 461 1HG1 ILE 59 2HG1 ILE 59 2.447 -0.369 -5.942 462 2HG1 ILE 59 3HG1 ILE 59 2.570 -2.077 -5.505 463 1HG2 ILE 59 1HG2 ILE 59 1.230 0.311 -8.019 464 2HG2 ILE 59 2HG2 ILE 59 2.244 -0.723 -9.038 465 3HG2 ILE 59 3HG2 ILE 59 0.500 -0.901 -9.096 466 1HD1 ILE 59 1HD1 ILE 59 4.729 -1.345 -6.245 467 2HD1 ILE 59 2HD1 ILE 59 4.075 -2.454 -7.468 468 3HD1 ILE 59 3HD1 ILE 59 4.079 -0.695 -7.754 469 H HIS 60 H HIS 60 -0.948 -3.600 -8.097 470 HA HIS 60 HA HIS 60 -2.793 -1.890 -9.453 471 1HB HIS 60 2HB HIS 60 -2.701 -4.906 -9.167 472 2HB HIS 60 3HB HIS 60 -3.861 -4.043 -10.187 473 HD1 HIS 60 1HD HIS 60 -1.818 -1.855 -11.434 474 HD2 HIS 60 2HD HIS 60 -1.416 -6.047 -11.216 475 HE1 HIS 60 1HE HIS 60 -0.194 -2.529 -13.264 476 H THR 61 H THR 61 -3.184 -3.858 -6.502 477 HA THR 61 HA THR 61 -6.007 -3.548 -6.269 478 HB THR 61 HB THR 61 -3.893 -3.760 -4.082 479 HG1 THR 61 1HG THR 61 -4.042 -5.556 -5.476 480 1HG2 THR 61 1HG2 THR 61 -5.727 -4.489 -2.641 481 2HG2 THR 61 2HG2 THR 61 -5.988 -2.824 -3.159 482 3HG2 THR 61 3HG2 THR 61 -6.907 -4.143 -3.924 483 H ILE 62 H ILE 62 -3.299 -1.462 -5.091 484 HA ILE 62 HA ILE 62 -5.071 0.505 -3.975 485 HB ILE 62 HB ILE 62 -2.179 0.628 -4.818 486 1HG1 ILE 62 2HG1 ILE 62 -3.563 0.247 -2.104 487 2HG1 ILE 62 3HG1 ILE 62 -2.741 -1.021 -3.003 488 1HG2 ILE 62 1HG2 ILE 62 -1.992 2.651 -3.523 489 2HG2 ILE 62 2HG2 ILE 62 -3.247 2.929 -4.706 490 3HG2 ILE 62 3HG2 ILE 62 -3.699 2.574 -3.026 491 1HD1 ILE 62 1HD1 ILE 62 -1.129 -0.246 -1.449 492 2HD1 ILE 62 2HD1 ILE 62 -0.685 0.467 -3.018 493 3HD1 ILE 62 3HD1 ILE 62 -1.521 1.451 -1.779 494 H GLU 63 H GLU 63 -3.446 0.274 -7.164 495 HA GLU 63 HA GLU 63 -4.264 2.630 -8.380 496 1HB GLU 63 2HB GLU 63 -2.758 0.683 -9.148 497 2HB GLU 63 3HB GLU 63 -4.249 -0.148 -9.622 498 1HG GLU 63 2HG GLU 63 -4.789 1.688 -11.104 499 2HG GLU 63 3HG GLU 63 -3.259 2.500 -10.712 500 H SER 64 H SER 64 -5.968 -0.456 -7.926 501 HA SER 64 HA SER 64 -8.406 0.334 -9.243 502 1HB SER 64 2HB SER 64 -7.633 -1.970 -9.023 503 2HB SER 64 3HB SER 64 -7.969 -1.935 -7.278 504 HG SER 64 HG SER 64 -9.693 -2.812 -8.567 505 H LEU 65 H LEU 65 -7.433 0.254 -5.791 506 HA LEU 65 HA LEU 65 -9.946 1.132 -4.690 507 1HB LEU 65 2HB LEU 65 -7.102 1.410 -3.679 508 2HB LEU 65 3HB LEU 65 -8.520 1.847 -2.737 509 HG LEU 65 HG LEU 65 -8.116 -0.966 -3.834 510 1HD1 LEU 65 1HD1 LEU 65 -6.262 -0.381 -2.290 511 2HD1 LEU 65 2HD1 LEU 65 -7.447 0.142 -1.081 512 3HD1 LEU 65 3HD1 LEU 65 -7.356 -1.563 -1.569 513 1HD2 LEU 65 1HD2 LEU 65 -10.468 -0.382 -3.225 514 2HD2 LEU 65 2HD2 LEU 65 -9.769 -1.601 -2.172 515 3HD2 LEU 65 3HD2 LEU 65 -9.904 0.071 -1.601 516 H GLY 66 H GLY 66 -7.245 2.875 -6.141 517 1HA GLY 66 2HA GLY 66 -8.060 4.486 -7.740 518 2HA GLY 66 1HA GLY 66 -9.313 5.018 -6.617 519 H PHE 67 H PHE 67 -5.809 4.442 -6.328 520 HA PHE 67 HA PHE 67 -5.284 7.316 -5.874 521 1HB PHE 67 2HB PHE 67 -4.130 5.087 -4.166 522 2HB PHE 67 3HB PHE 67 -3.871 6.826 -3.962 523 HD1 PHE 67 1HD PHE 67 -6.270 8.150 -3.794 524 HD2 PHE 67 2HD PHE 67 -5.652 4.040 -2.716 525 HE1 PHE 67 1HE PHE 67 -8.154 8.298 -2.199 526 HE2 PHE 67 2HE PHE 67 -7.488 4.192 -1.067 527 HZ PHE 67 HZ PHE 67 -8.705 6.348 -0.757 528 H GLU 68 H GLU 68 -2.836 7.599 -6.095 529 HA GLU 68 HA GLU 68 -1.999 5.998 -8.451 530 1HB GLU 68 2HB GLU 68 -1.123 8.691 -7.424 531 2HB GLU 68 3HB GLU 68 -0.731 8.018 -9.002 532 1HG GLU 68 2HG GLU 68 -3.012 8.242 -9.751 533 2HG GLU 68 3HG GLU 68 -3.614 8.583 -8.123 534 HA PRO 69 HA PRO 69 1.014 4.694 -5.185 535 1HB PRO 69 2HB PRO 69 1.324 2.041 -5.857 536 2HB PRO 69 3HB PRO 69 -0.047 2.667 -4.910 537 1HG PRO 69 2HG PRO 69 0.039 2.179 -7.895 538 2HG PRO 69 3HG PRO 69 -1.172 1.592 -6.714 539 1HD PRO 69 2HD PRO 69 -1.614 3.815 -8.186 540 2HD PRO 69 3HD PRO 69 -2.039 3.777 -6.446 541 H SER 70 H SER 70 2.273 6.275 -6.459 542 HA SER 70 HA SER 70 4.165 5.273 -8.444 543 1HB SER 70 2HB SER 70 4.291 7.707 -6.664 544 2HB SER 70 3HB SER 70 5.252 7.433 -8.133 545 HG SER 70 HG SER 70 3.305 8.746 -8.458 546 H LEU 71 H LEU 71 5.785 3.890 -7.899 547 HA LEU 71 HA LEU 71 6.649 3.474 -5.160 548 1HB LEU 71 2HB LEU 71 6.360 1.608 -6.664 549 2HB LEU 71 3HB LEU 71 7.434 2.339 -7.866 550 HG LEU 71 HG LEU 71 9.319 2.105 -6.431 551 1HD1 LEU 71 1HD1 LEU 71 9.174 0.778 -4.280 552 2HD1 LEU 71 2HD1 LEU 71 8.422 2.371 -4.191 553 3HD1 LEU 71 3HD1 LEU 71 7.406 0.920 -4.377 554 1HD2 LEU 71 1HD2 LEU 71 9.499 -0.362 -6.415 555 2HD2 LEU 71 2HD2 LEU 71 7.733 -0.493 -6.568 556 3HD2 LEU 71 3HD2 LEU 71 8.695 0.213 -7.887 557 H VAL 72 H VAL 72 7.165 5.786 -4.950 558 HA VAL 72 HA VAL 72 9.440 6.923 -6.344 559 HB VAL 72 HB VAL 72 8.018 7.761 -3.778 560 1HG1 VAL 72 1HG1 VAL 72 9.075 9.986 -4.202 561 2HG1 VAL 72 2HG1 VAL 72 10.263 8.752 -3.789 562 3HG1 VAL 72 3HG1 VAL 72 10.067 9.254 -5.480 563 1HG2 VAL 72 1HG2 VAL 72 6.595 7.836 -5.816 564 2HG2 VAL 72 2HG2 VAL 72 6.978 9.461 -5.239 565 3HG2 VAL 72 3HG2 VAL 72 7.833 8.795 -6.646 566 H LYS 73 H LYS 73 9.055 5.944 -2.920 567 HA LYS 73 HA LYS 73 10.467 5.220 -1.359 568 1HB LYS 73 2HB LYS 73 11.272 3.740 -3.756 569 2HB LYS 73 3HB LYS 73 12.657 3.986 -2.710 570 1HG LYS 73 2HG LYS 73 9.988 2.855 -1.744 571 2HG LYS 73 3HG LYS 73 11.323 1.864 -2.353 572 1HD LYS 73 2HD LYS 73 12.849 2.747 -0.642 573 2HD LYS 73 3HD LYS 73 11.558 3.780 0.001 574 1HE LYS 73 2HE LYS 73 10.240 1.745 0.569 575 2HE LYS 73 3HE LYS 73 11.602 0.734 0.063 576 1HZ LYS 73 1HZ LYS 73 11.299 1.629 2.561 577 2HZ LYS 73 2HZ LYS 73 12.862 1.493 1.855 578 3HZ LYS 73 3HZ LYS 73 12.143 2.876 1.938 579 H ILE 74 H ILE 74 12.857 5.310 -0.525 580 HA ILE 74 HA ILE 74 14.378 7.595 -1.615 581 HB ILE 74 HB ILE 74 13.618 7.360 1.350 582 1HG1 ILE 74 2HG1 ILE 74 12.843 9.849 0.726 583 2HG1 ILE 74 3HG1 ILE 74 12.538 9.116 -0.843 584 1HG2 ILE 74 1HG2 ILE 74 14.892 9.412 1.620 585 2HG2 ILE 74 2HG2 ILE 74 15.936 8.144 0.974 586 3HG2 ILE 74 3HG2 ILE 74 15.316 9.414 -0.107 587 1HD1 ILE 74 1HD1 ILE 74 11.468 8.231 1.882 588 2HD1 ILE 74 2HD1 ILE 74 10.545 9.072 0.619 589 3HD1 ILE 74 3HD1 ILE 74 11.083 7.402 0.359 590 H GLU 75 H GLU 75 14.314 5.488 1.246 591 HA GLU 75 HA GLU 75 16.039 3.535 0.055 592 1HB GLU 75 2HB GLU 75 16.417 4.590 2.913 593 2HB GLU 75 3HB GLU 75 17.132 3.115 2.246 594 1HG GLU 75 2HG GLU 75 18.366 4.486 0.564 595 2HG GLU 75 3HG GLU 75 17.697 5.959 1.288 Start of MODEL 18 1 1H MET 1 H1 MET 1 8.527 -17.347 5.456 2 2H MET 1 H2 MET 1 8.877 -18.901 5.874 3 3H MET 1 H3 MET 1 9.416 -17.652 6.818 4 HA MET 1 HA MET 1 11.139 -18.624 5.473 5 1HB MET 1 2HB MET 1 11.184 -18.169 3.063 6 2HB MET 1 3HB MET 1 9.927 -19.301 3.554 7 1HG MET 1 2HG MET 1 9.517 -16.415 2.699 8 2HG MET 1 3HG MET 1 9.097 -17.861 1.807 9 1HE MET 1 1HE MET 1 5.731 -15.957 3.013 10 2HE MET 1 2HE MET 1 7.316 -15.175 2.798 11 3HE MET 1 3HE MET 1 6.707 -16.322 1.577 12 H GLY 2 H GLY 2 9.581 -15.468 4.453 13 1HA GLY 2 2HA GLY 2 10.934 -13.900 6.313 14 2HA GLY 2 1HA GLY 2 11.908 -13.920 4.819 15 H ASP 3 H ASP 3 10.087 -11.728 6.064 16 HA ASP 3 HA ASP 3 7.929 -11.510 4.103 17 1HB ASP 3 2HB ASP 3 7.280 -9.605 5.475 18 2HB ASP 3 3HB ASP 3 7.543 -11.043 6.463 19 H GLY 4 H GLY 4 8.935 -8.415 4.766 20 1HA GLY 4 2HA GLY 4 10.903 -7.454 3.306 21 2HA GLY 4 1HA GLY 4 9.887 -8.091 1.985 22 H VAL 5 H VAL 5 10.357 -5.268 2.345 23 HA VAL 5 HA VAL 5 7.594 -4.430 2.806 24 HB VAL 5 HB VAL 5 8.031 -2.723 4.317 25 1HG1 VAL 5 1HG1 VAL 5 9.234 -3.595 6.227 26 2HG1 VAL 5 2HG1 VAL 5 8.376 -4.937 5.459 27 3HG1 VAL 5 3HG1 VAL 5 10.124 -4.746 5.226 28 1HG2 VAL 5 1HG2 VAL 5 10.984 -2.879 3.642 29 2HG2 VAL 5 2HG2 VAL 5 9.842 -1.569 3.237 30 3HG2 VAL 5 3HG2 VAL 5 10.277 -1.863 4.919 31 H LEU 6 H LEU 6 7.049 -2.415 1.808 32 HA LEU 6 HA LEU 6 8.999 -1.170 0.043 33 1HB LEU 6 2HB LEU 6 7.931 -3.210 -1.160 34 2HB LEU 6 3HB LEU 6 6.456 -2.231 -1.249 35 HG LEU 6 HG LEU 6 9.205 -1.599 -2.434 36 1HD1 LEU 6 1HD1 LEU 6 8.115 -3.459 -3.563 37 2HD1 LEU 6 2HD1 LEU 6 6.618 -2.509 -3.751 38 3HD1 LEU 6 3HD1 LEU 6 8.103 -2.035 -4.604 39 1HD2 LEU 6 1HD2 LEU 6 7.861 0.133 -3.779 40 2HD2 LEU 6 2HD2 LEU 6 6.592 -0.039 -2.549 41 3HD2 LEU 6 3HD2 LEU 6 8.226 0.531 -2.112 42 H GLU 7 H GLU 7 8.459 0.992 -0.092 43 HA GLU 7 HA GLU 7 5.834 1.862 1.001 44 1HB GLU 7 2HB GLU 7 8.473 3.383 1.086 45 2HB GLU 7 3HB GLU 7 6.904 3.842 1.772 46 1HG GLU 7 2HG GLU 7 7.018 1.669 3.147 47 2HG GLU 7 3HG GLU 7 8.676 1.511 2.572 48 H LEU 8 H LEU 8 4.610 3.021 -0.329 49 HA LEU 8 HA LEU 8 5.775 4.009 -2.890 50 1HB LEU 8 2HB LEU 8 3.457 3.575 -3.832 51 2HB LEU 8 3HB LEU 8 4.448 2.150 -3.588 52 HG LEU 8 HG LEU 8 2.646 2.960 -1.329 53 1HD1 LEU 8 1HD1 LEU 8 0.735 1.831 -2.261 54 2HD1 LEU 8 2HD1 LEU 8 1.210 3.159 -3.331 55 3HD1 LEU 8 3HD1 LEU 8 1.618 1.475 -3.759 56 1HD2 LEU 8 1HD2 LEU 8 2.434 0.549 -1.030 57 2HD2 LEU 8 2HD2 LEU 8 3.324 0.241 -2.538 58 3HD2 LEU 8 3HD2 LEU 8 4.154 0.931 -1.134 59 H VAL 9 H VAL 9 5.335 6.129 -3.359 60 HA VAL 9 HA VAL 9 3.875 7.721 -1.362 61 HB VAL 9 HB VAL 9 5.551 8.395 -3.770 62 1HG1 VAL 9 1HG1 VAL 9 3.527 10.257 -2.460 63 2HG1 VAL 9 2HG1 VAL 9 4.867 10.783 -3.495 64 3HG1 VAL 9 3HG1 VAL 9 3.581 9.787 -4.173 65 1HG2 VAL 9 1HG2 VAL 9 6.625 9.877 -2.117 66 2HG2 VAL 9 2HG2 VAL 9 5.366 9.517 -0.925 67 3HG2 VAL 9 3HG2 VAL 9 6.506 8.243 -1.429 68 H VAL 10 H VAL 10 1.697 7.443 -1.512 69 HA VAL 10 HA VAL 10 0.571 6.784 -4.164 70 HB VAL 10 HB VAL 10 0.258 5.070 -2.382 71 1HG1 VAL 10 1HG1 VAL 10 -1.921 6.936 -1.462 72 2HG1 VAL 10 2HG1 VAL 10 -1.507 5.338 -0.814 73 3HG1 VAL 10 3HG1 VAL 10 -0.383 6.701 -0.563 74 1HG2 VAL 10 1HG2 VAL 10 -2.029 6.369 -3.909 75 2HG2 VAL 10 2HG2 VAL 10 -1.066 4.958 -4.373 76 3HG2 VAL 10 3HG2 VAL 10 -2.221 4.842 -3.033 77 H ARG 11 H ARG 11 -0.564 8.348 -5.124 78 HA ARG 11 HA ARG 11 -1.607 10.675 -3.563 79 1HB ARG 11 2HB ARG 11 -1.397 9.966 -6.507 80 2HB ARG 11 3HB ARG 11 -2.516 11.225 -5.975 81 1HG ARG 11 2HG ARG 11 0.398 11.234 -5.130 82 2HG ARG 11 3HG ARG 11 -0.107 11.917 -6.682 83 1HD ARG 11 2HD ARG 11 -1.284 13.697 -5.708 84 2HD ARG 11 3HD ARG 11 -1.676 12.790 -4.264 85 HE ARG 11 HE ARG 11 0.198 13.466 -3.192 86 1HH1 ARG 11 2HH2 ARG 11 0.696 14.090 -6.622 87 2HH1 ARG 11 1HH2 ARG 11 2.122 15.060 -6.392 88 1HH2 ARG 11 2HH1 ARG 11 1.974 14.618 -2.834 89 2HH2 ARG 11 1HH1 ARG 11 2.914 15.386 -4.106 90 H GLY 12 H GLY 12 -3.323 9.969 -2.345 91 1HA GLY 12 2HA GLY 12 -5.688 8.945 -3.692 92 2HA GLY 12 1HA GLY 12 -4.856 7.722 -2.697 93 H MET 13 H MET 13 -4.096 8.949 -0.444 94 HA MET 13 HA MET 13 -6.654 9.383 0.852 95 1HB MET 13 2HB MET 13 -3.937 9.626 2.098 96 2HB MET 13 3HB MET 13 -5.480 9.400 2.915 97 1HG MET 13 2HG MET 13 -4.499 7.311 3.039 98 2HG MET 13 3HG MET 13 -5.549 7.126 1.640 99 1HE MET 13 1HE MET 13 -1.885 8.916 1.771 100 2HE MET 13 2HE MET 13 -1.946 7.614 2.993 101 3HE MET 13 3HE MET 13 -0.936 7.446 1.545 102 H THR 14 H THR 14 -7.120 11.268 -0.549 103 HA THR 14 HA THR 14 -6.000 13.823 -0.061 104 HB THR 14 HB THR 14 -7.585 13.358 -1.852 105 HG1 THR 14 1HG THR 14 -7.379 15.500 -0.921 106 1HG2 THR 14 1HG2 THR 14 -9.978 13.174 -1.502 107 2HG2 THR 14 2HG2 THR 14 -9.185 11.842 -0.648 108 3HG2 THR 14 3HG2 THR 14 -9.789 13.254 0.253 109 H CYS 15 H CYS 15 -8.270 11.886 1.841 110 HA CYS 15 HA CYS 15 -7.880 13.566 4.221 111 1HB CYS 15 2HB CYS 15 -10.603 12.972 2.949 112 2HB CYS 15 3HB CYS 15 -10.414 13.458 4.642 113 HG CYS 15 HG CYS 15 -11.251 15.477 3.352 114 H ALA 16 H ALA 16 -9.551 12.181 5.895 115 HA ALA 16 HA ALA 16 -8.426 9.555 6.164 116 1HB ALA 16 1HB ALA 16 -10.921 10.732 7.449 117 2HB ALA 16 2HB ALA 16 -9.979 9.342 8.030 118 3HB ALA 16 3HB ALA 16 -9.262 10.956 8.048 119 H SER 17 H SER 17 -10.572 7.913 6.747 120 HA SER 17 HA SER 17 -11.910 6.373 5.842 121 1HB SER 17 2HB SER 17 -12.595 8.221 3.514 122 2HB SER 17 3HB SER 17 -13.453 6.789 4.083 123 HG SER 17 HG SER 17 -13.042 9.193 5.537 124 H CYS 18 H CYS 18 -10.377 7.972 3.000 125 HA CYS 18 HA CYS 18 -9.529 5.753 1.459 126 1HB CYS 18 2HB CYS 18 -8.112 8.365 2.115 127 2HB CYS 18 3HB CYS 18 -7.627 7.223 0.832 128 HG CYS 18 HG CYS 18 -8.707 9.145 -0.380 129 H VAL 19 H VAL 19 -7.838 7.260 4.202 130 HA VAL 19 HA VAL 19 -5.641 5.695 4.464 131 HB VAL 19 HB VAL 19 -7.484 6.767 6.642 132 1HG1 VAL 19 1HG1 VAL 19 -6.017 5.088 7.674 133 2HG1 VAL 19 2HG1 VAL 19 -4.600 5.801 6.885 134 3HG1 VAL 19 3HG1 VAL 19 -5.485 6.708 8.123 135 1HG2 VAL 19 1HG2 VAL 19 -4.932 7.901 5.428 136 2HG2 VAL 19 2HG2 VAL 19 -6.576 8.488 5.097 137 3HG2 VAL 19 3HG2 VAL 19 -5.903 8.633 6.724 138 H HIS 20 H HIS 20 -8.736 4.970 6.188 139 HA HIS 20 HA HIS 20 -7.832 2.418 7.038 140 1HB HIS 20 2HB HIS 20 -9.439 2.674 8.459 141 2HB HIS 20 3HB HIS 20 -9.909 4.182 7.700 142 HD1 HIS 20 1HD HIS 20 -11.668 1.527 8.987 143 HD2 HIS 20 2HD HIS 20 -11.426 3.167 5.138 144 HE1 HIS 20 1HE HIS 20 -13.841 0.950 7.808 145 H LYS 21 H LYS 21 -9.309 3.633 4.093 146 HA LYS 21 HA LYS 21 -10.530 1.241 3.217 147 1HB LYS 21 2HB LYS 21 -10.500 3.793 2.299 148 2HB LYS 21 3HB LYS 21 -9.386 3.084 1.141 149 1HG LYS 21 2HG LYS 21 -12.237 2.207 1.762 150 2HG LYS 21 3HG LYS 21 -11.686 3.122 0.343 151 1HD LYS 21 2HD LYS 21 -10.165 1.159 -0.221 152 2HD LYS 21 3HD LYS 21 -11.004 0.213 1.010 153 1HE LYS 21 2HE LYS 21 -12.226 1.501 -1.486 154 2HE LYS 21 3HE LYS 21 -11.895 -0.218 -1.252 155 1HZ LYS 21 1HZ LYS 21 -13.832 1.376 0.295 156 2HZ LYS 21 2HZ LYS 21 -14.189 0.275 -0.869 157 3HZ LYS 21 3HZ LYS 21 -13.507 -0.220 0.543 158 H ILE 22 H ILE 22 -7.325 2.638 2.607 159 HA ILE 22 HA ILE 22 -6.440 0.426 0.966 160 HB ILE 22 HB ILE 22 -4.707 2.395 2.511 161 1HG1 ILE 22 2HG1 ILE 22 -5.746 2.493 -0.356 162 2HG1 ILE 22 3HG1 ILE 22 -6.309 3.516 0.995 163 1HG2 ILE 22 1HG2 ILE 22 -3.074 1.756 0.692 164 2HG2 ILE 22 2HG2 ILE 22 -3.532 0.369 1.690 165 3HG2 ILE 22 3HG2 ILE 22 -4.277 0.605 0.087 166 1HD1 ILE 22 1HD1 ILE 22 -3.983 4.343 1.258 167 2HD1 ILE 22 2HD1 ILE 22 -3.618 3.637 -0.342 168 3HD1 ILE 22 3HD1 ILE 22 -4.872 4.881 -0.182 169 H GLU 23 H GLU 23 -5.816 1.412 4.366 170 HA GLU 23 HA GLU 23 -4.405 -0.800 5.274 171 1HB GLU 23 2HB GLU 23 -6.181 1.288 6.372 172 2HB GLU 23 3HB GLU 23 -6.020 -0.070 7.436 173 1HG GLU 23 2HG GLU 23 -3.601 0.248 7.539 174 2HG GLU 23 3HG GLU 23 -3.593 1.180 6.033 175 H SER 24 H SER 24 -7.978 -0.589 5.128 176 HA SER 24 HA SER 24 -8.426 -3.247 6.125 177 1HB SER 24 2HB SER 24 -10.213 -1.534 4.355 178 2HB SER 24 3HB SER 24 -10.685 -3.007 5.227 179 HG SER 24 HG SER 24 -9.780 -0.556 6.327 180 H SER 25 H SER 25 -8.363 -1.888 2.814 181 HA SER 25 HA SER 25 -8.927 -4.231 1.369 182 1HB SER 25 2HB SER 25 -9.020 -1.927 0.497 183 2HB SER 25 3HB SER 25 -7.261 -1.793 0.612 184 HG SER 25 HG SER 25 -8.554 -3.797 -0.940 185 H LEU 26 H LEU 26 -5.840 -3.009 2.621 186 HA LEU 26 HA LEU 26 -4.259 -5.101 1.336 187 1HB LEU 26 2HB LEU 26 -3.734 -2.721 3.093 188 2HB LEU 26 3HB LEU 26 -2.531 -3.983 3.033 189 HG LEU 26 HG LEU 26 -2.201 -2.104 1.457 190 1HD1 LEU 26 1HD1 LEU 26 -1.484 -3.521 -0.468 191 2HD1 LEU 26 2HD1 LEU 26 -0.957 -4.125 1.104 192 3HD1 LEU 26 3HD1 LEU 26 -2.313 -4.904 0.260 193 1HD2 LEU 26 1HD2 LEU 26 -4.528 -1.813 0.602 194 2HD2 LEU 26 2HD2 LEU 26 -3.381 -2.094 -0.708 195 3HD2 LEU 26 3HD2 LEU 26 -4.439 -3.399 -0.190 196 H THR 27 H THR 27 -5.375 -4.445 4.737 197 HA THR 27 HA THR 27 -4.042 -6.744 5.746 198 HB THR 27 HB THR 27 -5.864 -6.712 7.519 199 HG1 THR 27 1HG THR 27 -6.476 -4.232 6.314 200 1HG2 THR 27 1HG2 THR 27 -4.935 -4.608 8.533 201 2HG2 THR 27 2HG2 THR 27 -3.662 -5.638 7.855 202 3HG2 THR 27 3HG2 THR 27 -4.190 -4.192 6.977 203 H LYS 28 H LYS 28 -7.197 -6.356 4.227 204 HA LYS 28 HA LYS 28 -8.194 -8.965 4.252 205 1HB LYS 28 2HB LYS 28 -9.566 -7.260 3.421 206 2HB LYS 28 3HB LYS 28 -8.285 -6.608 2.416 207 1HG LYS 28 2HG LYS 28 -9.865 -7.434 0.951 208 2HG LYS 28 3HG LYS 28 -8.458 -8.468 0.850 209 1HD LYS 28 2HD LYS 28 -9.955 -9.860 2.725 210 2HD LYS 28 3HD LYS 28 -11.241 -8.985 1.895 211 1HE LYS 28 2HE LYS 28 -11.133 -10.914 0.570 212 2HE LYS 28 3HE LYS 28 -10.043 -9.836 -0.316 213 1HZ LYS 28 1HZ LYS 28 -8.919 -11.866 -0.050 214 2HZ LYS 28 2HZ LYS 28 -8.247 -10.892 1.116 215 3HZ LYS 28 3HZ LYS 28 -9.345 -12.017 1.534 216 H HIS 29 H HIS 29 -5.325 -7.818 2.456 217 HA HIS 29 HA HIS 29 -5.276 -10.206 0.721 218 1HB HIS 29 2HB HIS 29 -3.472 -7.798 1.040 219 2HB HIS 29 3HB HIS 29 -2.900 -9.287 0.339 220 HD1 HIS 29 1HD HIS 29 -3.826 -10.007 -2.042 221 HD2 HIS 29 2HD HIS 29 -4.940 -6.238 -0.563 222 HE1 HIS 29 1HE HIS 29 -4.609 -8.633 -4.036 223 H ARG 30 H ARG 30 -5.183 -11.959 2.083 224 HA ARG 30 HA ARG 30 -3.161 -12.584 3.984 225 1HB ARG 30 2HB ARG 30 -4.979 -14.106 3.421 226 2HB ARG 30 3HB ARG 30 -4.420 -14.256 1.759 227 1HG ARG 30 2HG ARG 30 -2.254 -14.946 3.623 228 2HG ARG 30 3HG ARG 30 -3.715 -15.826 4.047 229 1HD ARG 30 2HD ARG 30 -2.290 -17.100 2.514 230 2HD ARG 30 3HD ARG 30 -3.891 -16.779 1.807 231 HE ARG 30 HE ARG 30 -2.409 -14.671 0.902 232 1HH1 ARG 30 2HH2 ARG 30 -1.940 -18.149 0.591 233 2HH1 ARG 30 1HH2 ARG 30 -0.978 -18.027 -0.853 234 1HH2 ARG 30 2HH1 ARG 30 -1.169 -14.453 -0.890 235 2HH2 ARG 30 1HH1 ARG 30 -0.575 -15.828 -1.775 236 H GLY 31 H GLY 31 -1.073 -11.914 3.659 237 1HA GLY 31 2HA GLY 31 0.921 -12.707 2.110 238 2HA GLY 31 1HA GLY 31 0.035 -11.733 0.920 239 H ILE 32 H ILE 32 -1.022 -9.759 2.890 240 HA ILE 32 HA ILE 32 1.315 -8.119 3.273 241 HB ILE 32 HB ILE 32 -1.431 -7.741 2.936 242 1HG1 ILE 32 2HG1 ILE 32 0.562 -6.191 2.448 243 2HG1 ILE 32 3HG1 ILE 32 -1.022 -5.510 2.840 244 1HG2 ILE 32 1HG2 ILE 32 -2.093 -6.440 4.942 245 2HG2 ILE 32 2HG2 ILE 32 -2.022 -8.204 5.217 246 3HG2 ILE 32 3HG2 ILE 32 -0.744 -7.133 5.842 247 1HD1 ILE 32 1HD1 ILE 32 0.968 -6.033 4.974 248 2HD1 ILE 32 2HD1 ILE 32 1.019 -4.496 4.073 249 3HD1 ILE 32 3HD1 ILE 32 -0.411 -4.939 5.022 250 H LEU 33 H LEU 33 2.346 -7.795 5.215 251 HA LEU 33 HA LEU 33 1.712 -9.536 7.527 252 1HB LEU 33 2HB LEU 33 3.987 -9.677 6.666 253 2HB LEU 33 3HB LEU 33 4.159 -7.923 6.704 254 HG LEU 33 HG LEU 33 4.018 -7.920 9.171 255 1HD1 LEU 33 1HD1 LEU 33 3.846 -10.948 8.820 256 2HD1 LEU 33 2HD1 LEU 33 4.194 -10.128 10.360 257 3HD1 LEU 33 3HD1 LEU 33 2.626 -9.897 9.574 258 1HD2 LEU 33 1HD2 LEU 33 6.220 -8.947 9.537 259 2HD2 LEU 33 2HD2 LEU 33 6.051 -9.876 8.031 260 3HD2 LEU 33 3HD2 LEU 33 6.179 -8.108 7.972 261 H TYR 34 H TYR 34 2.392 -6.121 6.530 262 HA TYR 34 HA TYR 34 0.517 -5.127 8.566 263 1HB TYR 34 2HB TYR 34 2.547 -5.350 9.897 264 2HB TYR 34 3HB TYR 34 3.498 -4.562 8.651 265 HD1 TYR 34 HD1 TYR 34 3.440 -2.146 8.302 266 HD2 TYR 34 HD2 TYR 34 0.987 -3.991 11.323 267 HE1 TYR 34 HE1 TYR 34 3.195 0.044 9.436 268 HE2 TYR 34 HE2 TYR 34 0.634 -1.782 12.380 269 HH TYR 34 HH TYR 34 1.099 0.484 12.285 270 H CYS 35 H CYS 35 -0.512 -3.364 7.736 271 HA CYS 35 HA CYS 35 0.733 -1.847 5.475 272 1HB CYS 35 2HB CYS 35 -1.468 -2.953 4.882 273 2HB CYS 35 3HB CYS 35 -2.225 -2.047 6.204 274 HG CYS 35 HG CYS 35 -2.776 -1.023 3.908 275 H SER 36 H SER 36 0.703 0.439 5.722 276 HA SER 36 HA SER 36 -1.022 1.638 7.700 277 1HB SER 36 2HB SER 36 0.833 1.178 9.195 278 2HB SER 36 3HB SER 36 1.998 1.899 8.055 279 HG SER 36 HG SER 36 1.235 3.253 9.860 280 H VAL 37 H VAL 37 -1.808 3.486 6.635 281 HA VAL 37 HA VAL 37 0.059 4.731 4.654 282 HB VAL 37 HB VAL 37 -1.742 5.074 3.153 283 1HG1 VAL 37 1HG1 VAL 37 -0.760 2.646 3.338 284 2HG1 VAL 37 2HG1 VAL 37 -2.282 2.244 4.131 285 3HG1 VAL 37 3HG1 VAL 37 -2.296 2.883 2.482 286 1HG2 VAL 37 1HG2 VAL 37 -4.036 4.324 3.597 287 2HG2 VAL 37 2HG2 VAL 37 -3.587 3.792 5.221 288 3HG2 VAL 37 3HG2 VAL 37 -3.531 5.527 4.803 289 H ALA 38 H ALA 38 0.105 6.954 4.474 290 HA ALA 38 HA ALA 38 -1.431 8.494 6.509 291 1HB ALA 38 1HB ALA 38 0.545 9.754 7.094 292 2HB ALA 38 2HB ALA 38 0.728 8.038 7.543 293 3HB ALA 38 3HB ALA 38 1.567 8.680 6.105 294 H LEU 39 H LEU 39 -2.162 10.311 5.842 295 HA LEU 39 HA LEU 39 -2.172 10.928 3.040 296 1HB LEU 39 2HB LEU 39 -3.696 12.741 3.626 297 2HB LEU 39 3HB LEU 39 -4.151 11.175 4.280 298 HG LEU 39 HG LEU 39 -2.782 12.264 6.437 299 1HD1 LEU 39 1HD1 LEU 39 -4.374 14.519 5.127 300 2HD1 LEU 39 2HD1 LEU 39 -3.575 14.562 6.710 301 3HD1 LEU 39 3HD1 LEU 39 -2.607 14.488 5.229 302 1HD2 LEU 39 1HD2 LEU 39 -5.027 12.660 7.375 303 2HD2 LEU 39 2HD2 LEU 39 -5.736 12.516 5.752 304 3HD2 LEU 39 3HD2 LEU 39 -4.948 11.115 6.510 305 H ALA 40 H ALA 40 -0.850 12.743 5.854 306 HA ALA 40 HA ALA 40 0.185 14.919 4.435 307 1HB ALA 40 1HB ALA 40 0.088 14.812 6.890 308 2HB ALA 40 2HB ALA 40 1.337 13.547 6.909 309 3HB ALA 40 3HB ALA 40 1.735 15.184 6.344 310 H THR 41 H THR 41 1.863 11.814 5.265 311 HA THR 41 HA THR 41 4.256 12.351 3.883 312 HB THR 41 HB THR 41 3.056 9.632 4.394 313 HG1 THR 41 1HG THR 41 4.037 11.358 6.405 314 1HG2 THR 41 1HG2 THR 41 5.828 10.806 4.973 315 2HG2 THR 41 2HG2 THR 41 5.338 9.115 5.195 316 3HG2 THR 41 3HG2 THR 41 5.431 9.810 3.564 317 H ASN 42 H ASN 42 1.089 11.622 2.671 318 HA ASN 42 HA ASN 42 0.226 10.915 0.711 319 1HB ASN 42 2HB ASN 42 2.939 11.727 -0.471 320 2HB ASN 42 3HB ASN 42 1.511 11.270 -1.389 321 1HD2 ASN 42 1HD2 ASN 42 1.653 13.573 1.447 322 2HD2 ASN 42 2HD2 ASN 42 1.145 14.910 0.465 323 H LYS 43 H LYS 43 1.381 8.941 2.481 324 HA LYS 43 HA LYS 43 2.892 7.184 0.582 325 1HB LYS 43 2HB LYS 43 4.444 8.310 2.025 326 2HB LYS 43 3HB LYS 43 3.569 7.728 3.465 327 1HG LYS 43 2HG LYS 43 4.108 5.453 3.006 328 2HG LYS 43 3HG LYS 43 4.766 5.829 1.410 329 1HD LYS 43 2HD LYS 43 5.940 6.906 4.026 330 2HD LYS 43 3HD LYS 43 6.365 5.360 3.321 331 1HE LYS 43 2HE LYS 43 6.800 6.893 1.116 332 2HE LYS 43 3HE LYS 43 7.030 8.142 2.340 333 1HZ LYS 43 1HZ LYS 43 8.866 6.153 1.561 334 2HZ LYS 43 2HZ LYS 43 9.122 7.261 2.637 335 3HZ LYS 43 3HZ LYS 43 8.467 5.820 3.087 336 H ALA 44 H ALA 44 2.489 5.061 0.571 337 HA ALA 44 HA ALA 44 0.938 3.903 2.827 338 1HB ALA 44 1HB ALA 44 0.852 3.109 -0.106 339 2HB ALA 44 2HB ALA 44 0.215 2.121 1.218 340 3HB ALA 44 3HB ALA 44 -0.481 3.722 0.879 341 H HIS 45 H HIS 45 2.273 2.656 4.112 342 HA HIS 45 HA HIS 45 4.766 1.586 3.084 343 1HB HIS 45 2HB HIS 45 4.831 2.940 5.112 344 2HB HIS 45 3HB HIS 45 3.399 2.147 5.776 345 HD1 HIS 45 1HD HIS 45 7.097 1.772 5.617 346 HD2 HIS 45 2HD HIS 45 3.692 -0.618 6.375 347 HE1 HIS 45 1HE HIS 45 7.897 -0.318 6.647 348 H ILE 46 H ILE 46 4.766 -0.620 2.648 349 HA ILE 46 HA ILE 46 2.701 -2.314 3.983 350 HB ILE 46 HB ILE 46 3.693 -2.400 1.134 351 1HG1 ILE 46 2HG1 ILE 46 0.869 -2.066 2.255 352 2HG1 ILE 46 3HG1 ILE 46 1.849 -0.709 1.665 353 1HG2 ILE 46 1HG2 ILE 46 3.071 -4.687 2.477 354 2HG2 ILE 46 2HG2 ILE 46 1.468 -4.209 1.932 355 3HG2 ILE 46 3HG2 ILE 46 2.753 -4.436 0.754 356 1HD1 ILE 46 1HD1 ILE 46 0.291 -1.359 -0.061 357 2HD1 ILE 46 2HD1 ILE 46 1.964 -1.695 -0.564 358 3HD1 ILE 46 3HD1 ILE 46 0.904 -3.025 -0.043 359 H LYS 47 H LYS 47 3.530 -3.896 5.021 360 HA LYS 47 HA LYS 47 6.211 -5.019 4.397 361 1HB LYS 47 2HB LYS 47 4.661 -5.564 6.940 362 2HB LYS 47 3HB LYS 47 6.325 -5.990 6.529 363 1HG LYS 47 2HG LYS 47 6.753 -3.433 6.431 364 2HG LYS 47 3HG LYS 47 5.141 -3.277 7.152 365 1HD LYS 47 2HD LYS 47 5.859 -4.722 9.071 366 2HD LYS 47 3HD LYS 47 7.422 -4.983 8.301 367 1HE LYS 47 2HE LYS 47 7.598 -3.339 10.124 368 2HE LYS 47 3HE LYS 47 8.056 -2.652 8.558 369 1HZ LYS 47 1HZ LYS 47 5.413 -2.280 9.818 370 2HZ LYS 47 2HZ LYS 47 6.641 -1.181 9.844 371 3HZ LYS 47 3HZ LYS 47 5.955 -1.595 8.411 372 H TYR 48 H TYR 48 6.021 -7.150 3.566 373 HA TYR 48 HA TYR 48 3.569 -8.646 3.718 374 1HB TYR 48 2HB TYR 48 3.014 -8.508 1.355 375 2HB TYR 48 3HB TYR 48 2.915 -6.924 2.089 376 HD1 TYR 48 HD1 TYR 48 4.203 -8.786 -0.649 377 HD2 TYR 48 HD2 TYR 48 5.131 -5.396 1.845 378 HE1 TYR 48 HE1 TYR 48 5.292 -7.648 -2.573 379 HE2 TYR 48 HE2 TYR 48 6.235 -4.306 -0.026 380 HH TYR 48 HH TYR 48 6.712 -4.394 -2.274 381 H ASP 49 H ASP 49 3.819 -10.718 2.467 382 HA ASP 49 HA ASP 49 6.587 -11.673 2.304 383 1HB ASP 49 2HB ASP 49 3.904 -12.926 1.731 384 2HB ASP 49 3HB ASP 49 5.457 -13.789 1.695 385 HA PRO 50 HA PRO 50 6.215 -9.697 -1.741 386 1HB PRO 50 2HB PRO 50 8.731 -10.135 -2.788 387 2HB PRO 50 3HB PRO 50 8.353 -8.911 -1.543 388 1HG PRO 50 2HG PRO 50 9.456 -11.699 -1.103 389 2HG PRO 50 3HG PRO 50 10.034 -10.164 -0.398 390 1HD PRO 50 2HD PRO 50 8.397 -11.792 0.994 391 2HD PRO 50 3HD PRO 50 8.174 -10.017 1.045 392 H GLU 51 H GLU 51 7.701 -12.900 -1.582 393 HA GLU 51 HA GLU 51 7.502 -13.682 -4.222 394 1HB GLU 51 2HB GLU 51 7.540 -16.025 -3.241 395 2HB GLU 51 3HB GLU 51 8.847 -14.943 -2.758 396 1HG GLU 51 2HG GLU 51 7.826 -14.583 -0.548 397 2HG GLU 51 3HG GLU 51 6.403 -15.516 -1.032 398 H ILE 52 H ILE 52 4.956 -13.872 -1.747 399 HA ILE 52 HA ILE 52 3.358 -15.582 -3.529 400 HB ILE 52 HB ILE 52 1.717 -15.518 -1.599 401 1HG1 ILE 52 2HG1 ILE 52 4.108 -14.537 -0.031 402 2HG1 ILE 52 3HG1 ILE 52 2.682 -13.561 -0.413 403 1HG2 ILE 52 1HG2 ILE 52 2.913 -17.373 -0.521 404 2HG2 ILE 52 2HG2 ILE 52 3.217 -17.416 -2.251 405 3HG2 ILE 52 3HG2 ILE 52 4.459 -16.780 -1.158 406 1HD1 ILE 52 1HD1 ILE 52 2.745 -16.109 1.274 407 2HD1 ILE 52 2HD1 ILE 52 2.377 -14.486 1.827 408 3HD1 ILE 52 3HD1 ILE 52 1.250 -15.303 0.744 409 H ILE 53 H ILE 53 2.923 -12.342 -2.162 410 HA ILE 53 HA ILE 53 0.383 -12.110 -3.680 411 HB ILE 53 HB ILE 53 0.209 -11.217 -1.552 412 1HG1 ILE 53 2HG1 ILE 53 0.466 -8.848 -3.467 413 2HG1 ILE 53 3HG1 ILE 53 -0.819 -10.057 -3.570 414 1HG2 ILE 53 1HG2 ILE 53 2.473 -9.261 -2.106 415 2HG2 ILE 53 2HG2 ILE 53 1.502 -9.381 -0.629 416 3HG2 ILE 53 3HG2 ILE 53 2.586 -10.689 -1.049 417 1HD1 ILE 53 1HD1 ILE 53 -1.635 -8.134 -2.360 418 2HD1 ILE 53 2HD1 ILE 53 -1.503 -9.537 -1.272 419 3HD1 ILE 53 3HD1 ILE 53 -0.312 -8.221 -1.190 420 H GLY 54 H GLY 54 3.485 -10.332 -3.647 421 1HA GLY 54 2HA GLY 54 4.648 -9.885 -5.575 422 2HA GLY 54 1HA GLY 54 3.201 -9.854 -6.570 423 HA PRO 55 HA PRO 55 4.328 -5.472 -4.670 424 1HB PRO 55 2HB PRO 55 6.191 -4.507 -6.479 425 2HB PRO 55 3HB PRO 55 6.599 -5.301 -4.941 426 1HG PRO 55 2HG PRO 55 6.551 -6.539 -7.683 427 2HG PRO 55 3HG PRO 55 7.779 -6.723 -6.403 428 1HD PRO 55 2HD PRO 55 5.863 -8.590 -6.826 429 2HD PRO 55 3HD PRO 55 6.381 -8.210 -5.158 430 H ARG 56 H ARG 56 4.403 -6.525 -8.094 431 HA ARG 56 HA ARG 56 3.151 -4.289 -9.286 432 1HB ARG 56 2HB ARG 56 4.223 -6.080 -10.594 433 2HB ARG 56 3HB ARG 56 3.015 -7.250 -10.021 434 1HG ARG 56 2HG ARG 56 1.218 -5.881 -11.072 435 2HG ARG 56 3HG ARG 56 2.438 -4.758 -11.694 436 1HD ARG 56 2HD ARG 56 3.327 -6.512 -13.143 437 2HD ARG 56 3HD ARG 56 2.323 -7.738 -12.314 438 HE ARG 56 HE ARG 56 0.655 -5.619 -13.279 439 1HH1 ARG 56 2HH2 ARG 56 2.370 -8.431 -14.529 440 2HH1 ARG 56 1HH2 ARG 56 1.139 -8.833 -15.694 441 1HH2 ARG 56 2HH1 ARG 56 -0.918 -6.097 -14.609 442 2HH2 ARG 56 1HH1 ARG 56 -0.840 -7.389 -15.801 443 H ASP 57 H ASP 57 1.717 -7.371 -8.098 444 HA ASP 57 HA ASP 57 -0.921 -6.887 -8.603 445 1HB ASP 57 2HB ASP 57 0.321 -8.454 -6.303 446 2HB ASP 57 3HB ASP 57 -1.270 -8.734 -7.001 447 H ILE 58 H ILE 58 0.885 -6.173 -5.598 448 HA ILE 58 HA ILE 58 -1.176 -4.762 -4.191 449 HB ILE 58 HB ILE 58 1.845 -4.674 -4.215 450 1HG1 ILE 58 2HG1 ILE 58 -0.076 -5.368 -1.963 451 2HG1 ILE 58 3HG1 ILE 58 0.341 -6.541 -3.214 452 1HG2 ILE 58 1HG2 ILE 58 1.809 -3.198 -2.267 453 2HG2 ILE 58 2HG2 ILE 58 1.201 -2.357 -3.679 454 3HG2 ILE 58 3HG2 ILE 58 0.053 -2.951 -2.458 455 1HD1 ILE 58 1HD1 ILE 58 2.705 -6.398 -2.676 456 2HD1 ILE 58 2HD1 ILE 58 2.378 -5.199 -1.408 457 3HD1 ILE 58 3HD1 ILE 58 1.746 -6.847 -1.252 458 H ILE 59 H ILE 59 1.310 -3.346 -6.387 459 HA ILE 59 HA ILE 59 0.203 -0.754 -6.356 460 HB ILE 59 HB ILE 59 2.007 -2.295 -8.157 461 1HG1 ILE 59 2HG1 ILE 59 2.346 0.436 -6.943 462 2HG1 ILE 59 3HG1 ILE 59 2.614 -1.063 -6.038 463 1HG2 ILE 59 1HG2 ILE 59 2.224 -0.356 -9.723 464 2HG2 ILE 59 2HG2 ILE 59 0.689 -1.203 -9.878 465 3HG2 ILE 59 3HG2 ILE 59 0.763 0.340 -9.014 466 1HD1 ILE 59 1HD1 ILE 59 4.296 -1.783 -7.719 467 2HD1 ILE 59 2HD1 ILE 59 4.121 -0.213 -8.542 468 3HD1 ILE 59 3HD1 ILE 59 4.727 -0.282 -6.881 469 H HIS 60 H HIS 60 -0.765 -3.509 -8.411 470 HA HIS 60 HA HIS 60 -2.726 -2.054 -9.918 471 1HB HIS 60 2HB HIS 60 -2.305 -5.002 -9.356 472 2HB HIS 60 3HB HIS 60 -3.732 -4.420 -10.212 473 HD1 HIS 60 1HD HIS 60 -2.296 -2.191 -12.064 474 HD2 HIS 60 2HD HIS 60 -1.386 -6.278 -11.529 475 HE1 HIS 60 1HE HIS 60 -1.190 -2.979 -14.210 476 H THR 61 H THR 61 -2.870 -3.709 -6.760 477 HA THR 61 HA THR 61 -5.728 -3.499 -6.490 478 HB THR 61 HB THR 61 -3.666 -3.502 -4.249 479 HG1 THR 61 1HG THR 61 -3.408 -5.259 -5.759 480 1HG2 THR 61 1HG2 THR 61 -6.548 -4.495 -4.349 481 2HG2 THR 61 2HG2 THR 61 -5.456 -4.561 -2.960 482 3HG2 THR 61 3HG2 THR 61 -6.017 -2.996 -3.555 483 H ILE 62 H ILE 62 -3.016 -1.372 -5.442 484 HA ILE 62 HA ILE 62 -4.658 0.678 -4.340 485 HB ILE 62 HB ILE 62 -1.902 0.941 -5.598 486 1HG1 ILE 62 2HG1 ILE 62 -1.736 -0.784 -3.903 487 2HG1 ILE 62 3HG1 ILE 62 -1.007 0.689 -3.317 488 1HG2 ILE 62 1HG2 ILE 62 -2.756 3.125 -5.248 489 2HG2 ILE 62 2HG2 ILE 62 -3.500 2.685 -3.695 490 3HG2 ILE 62 3HG2 ILE 62 -1.739 2.781 -3.835 491 1HD1 ILE 62 1HD1 ILE 62 -3.711 -0.468 -2.563 492 2HD1 ILE 62 2HD1 ILE 62 -2.257 -0.313 -1.554 493 3HD1 ILE 62 3HD1 ILE 62 -3.149 1.142 -2.033 494 H GLU 63 H GLU 63 -3.333 0.302 -7.654 495 HA GLU 63 HA GLU 63 -4.361 2.569 -8.917 496 1HB GLU 63 2HB GLU 63 -2.750 0.885 -9.771 497 2HB GLU 63 3HB GLU 63 -4.067 -0.284 -9.901 498 1HG GLU 63 2HG GLU 63 -5.214 1.161 -11.502 499 2HG GLU 63 3HG GLU 63 -3.866 2.317 -11.433 500 H SER 64 H SER 64 -5.813 -0.666 -8.549 501 HA SER 64 HA SER 64 -8.317 -0.144 -9.672 502 1HB SER 64 2HB SER 64 -7.428 -2.367 -9.207 503 2HB SER 64 3HB SER 64 -7.691 -2.132 -7.467 504 HG SER 64 HG SER 64 -9.718 -2.008 -9.459 505 H LEU 65 H LEU 65 -7.297 0.339 -6.250 506 HA LEU 65 HA LEU 65 -9.850 1.209 -5.286 507 1HB LEU 65 2HB LEU 65 -7.011 1.502 -4.358 508 2HB LEU 65 3HB LEU 65 -8.171 2.686 -3.764 509 HG LEU 65 HG LEU 65 -9.654 0.904 -2.938 510 1HD1 LEU 65 1HD1 LEU 65 -8.913 -0.938 -4.470 511 2HD1 LEU 65 2HD1 LEU 65 -7.353 -0.962 -3.610 512 3HD1 LEU 65 3HD1 LEU 65 -8.851 -1.389 -2.759 513 1HD2 LEU 65 1HD2 LEU 65 -8.065 1.924 -1.404 514 2HD2 LEU 65 2HD2 LEU 65 -8.142 0.189 -1.057 515 3HD2 LEU 65 3HD2 LEU 65 -6.764 0.846 -1.959 516 H GLY 66 H GLY 66 -7.775 2.769 -7.567 517 1HA GLY 66 2HA GLY 66 -8.371 4.601 -8.832 518 2HA GLY 66 1HA GLY 66 -9.559 5.118 -7.626 519 H PHE 67 H PHE 67 -6.222 4.182 -6.829 520 HA PHE 67 HA PHE 67 -5.479 7.035 -6.286 521 1HB PHE 67 2HB PHE 67 -4.611 4.506 -4.861 522 2HB PHE 67 3HB PHE 67 -4.202 6.162 -4.412 523 HD1 PHE 67 1HD PHE 67 -7.096 7.328 -4.716 524 HD2 PHE 67 2HD PHE 67 -5.547 3.778 -2.798 525 HE1 PHE 67 1HE PHE 67 -8.700 7.622 -2.867 526 HE2 PHE 67 2HE PHE 67 -7.270 4.033 -1.020 527 HZ PHE 67 HZ PHE 67 -8.687 6.011 -0.956 528 H GLU 68 H GLU 68 -3.153 7.422 -6.512 529 HA GLU 68 HA GLU 68 -1.988 5.696 -8.634 530 1HB GLU 68 2HB GLU 68 -2.183 7.654 -9.677 531 2HB GLU 68 3HB GLU 68 -2.093 8.622 -8.211 532 1HG GLU 68 2HG GLU 68 -0.220 8.994 -9.811 533 2HG GLU 68 3HG GLU 68 0.309 8.554 -8.191 534 HA PRO 69 HA PRO 69 0.921 4.803 -5.260 535 1HB PRO 69 2HB PRO 69 1.594 2.304 -5.893 536 2HB PRO 69 3HB PRO 69 -0.046 2.680 -5.304 537 1HG PRO 69 2HG PRO 69 0.836 2.362 -8.166 538 2HG PRO 69 3HG PRO 69 -0.542 1.561 -7.349 539 1HD PRO 69 2HD PRO 69 -0.761 3.861 -8.865 540 2HD PRO 69 3HD PRO 69 -1.806 3.549 -7.447 541 H SER 70 H SER 70 2.319 6.540 -6.145 542 HA SER 70 HA SER 70 4.212 5.828 -8.232 543 1HB SER 70 2HB SER 70 4.614 8.002 -6.205 544 2HB SER 70 3HB SER 70 5.213 7.859 -7.865 545 HG SER 70 HG SER 70 2.803 7.903 -8.393 546 H LEU 71 H LEU 71 5.457 4.134 -7.746 547 HA LEU 71 HA LEU 71 6.461 3.519 -5.087 548 1HB LEU 71 2HB LEU 71 7.711 1.753 -6.046 549 2HB LEU 71 3HB LEU 71 6.129 1.811 -6.814 550 HG LEU 71 HG LEU 71 7.558 3.362 -8.559 551 1HD1 LEU 71 1HD1 LEU 71 9.733 2.293 -8.981 552 2HD1 LEU 71 2HD1 LEU 71 9.718 2.959 -7.344 553 3HD1 LEU 71 3HD1 LEU 71 9.505 1.215 -7.590 554 1HD2 LEU 71 1HD2 LEU 71 7.680 1.349 -9.999 555 2HD2 LEU 71 2HD2 LEU 71 7.347 0.322 -8.587 556 3HD2 LEU 71 3HD2 LEU 71 6.120 1.469 -9.169 557 H VAL 72 H VAL 72 8.362 4.153 -4.151 558 HA VAL 72 HA VAL 72 9.971 6.226 -5.613 559 HB VAL 72 HB VAL 72 10.433 7.194 -3.382 560 1HG1 VAL 72 1HG1 VAL 72 7.522 7.157 -4.257 561 2HG1 VAL 72 2HG1 VAL 72 8.327 8.426 -3.310 562 3HG1 VAL 72 3HG1 VAL 72 8.809 8.138 -4.988 563 1HG2 VAL 72 1HG2 VAL 72 9.785 5.401 -1.814 564 2HG2 VAL 72 2HG2 VAL 72 8.810 6.835 -1.556 565 3HG2 VAL 72 3HG2 VAL 72 8.108 5.458 -2.414 566 H LYS 73 H LYS 73 10.282 3.849 -2.972 567 HA LYS 73 HA LYS 73 12.061 2.730 -2.149 568 1HB LYS 73 2HB LYS 73 13.722 3.487 -4.579 569 2HB LYS 73 3HB LYS 73 14.087 2.268 -3.373 570 1HG LYS 73 2HG LYS 73 12.506 0.744 -4.202 571 2HG LYS 73 3HG LYS 73 11.546 1.990 -5.000 572 1HD LYS 73 2HD LYS 73 12.722 0.706 -6.669 573 2HD LYS 73 3HD LYS 73 13.233 2.403 -6.665 574 1HE LYS 73 2HE LYS 73 15.290 1.771 -5.370 575 2HE LYS 73 3HE LYS 73 14.766 0.079 -5.380 576 1HZ LYS 73 1HZ LYS 73 16.377 0.551 -7.084 577 2HZ LYS 73 2HZ LYS 73 14.950 0.129 -7.783 578 3HZ LYS 73 3HZ LYS 73 15.420 1.708 -7.750 579 H ILE 74 H ILE 74 14.431 3.347 -1.414 580 HA ILE 74 HA ILE 74 15.547 4.701 -0.015 581 HB ILE 74 HB ILE 74 15.090 6.974 -1.975 582 1HG1 ILE 74 2HG1 ILE 74 17.573 5.868 -2.583 583 2HG1 ILE 74 3HG1 ILE 74 16.592 4.427 -2.356 584 1HG2 ILE 74 1HG2 ILE 74 17.293 7.703 -1.181 585 2HG2 ILE 74 2HG2 ILE 74 16.198 7.549 0.192 586 3HG2 ILE 74 3HG2 ILE 74 17.405 6.290 -0.111 587 1HD1 ILE 74 1HD1 ILE 74 16.558 5.154 -4.698 588 2HD1 ILE 74 2HD1 ILE 74 14.938 5.411 -4.023 589 3HD1 ILE 74 3HD1 ILE 74 16.040 6.784 -4.224 590 H GLU 75 H GLU 75 13.441 4.209 1.136 591 HA GLU 75 HA GLU 75 12.100 4.764 2.822 592 1HB GLU 75 2HB GLU 75 13.604 7.407 2.835 593 2HB GLU 75 3HB GLU 75 12.672 6.709 4.159 594 1HG GLU 75 2HG GLU 75 14.205 4.757 4.242 595 2HG GLU 75 3HG GLU 75 15.171 5.444 2.923 Start of MODEL 19 1 1H MET 1 H1 MET 1 13.353 -15.014 -0.625 2 2H MET 1 H2 MET 1 14.112 -16.477 -0.817 3 3H MET 1 H3 MET 1 12.464 -16.298 -0.632 4 HA MET 1 HA MET 1 13.627 -17.105 1.415 5 1HB MET 1 2HB MET 1 15.676 -15.801 1.110 6 2HB MET 1 3HB MET 1 14.779 -14.283 1.308 7 1HG MET 1 2HG MET 1 14.242 -14.841 3.619 8 2HG MET 1 3HG MET 1 14.933 -16.462 3.431 9 1HE MET 1 1HE MET 1 17.316 -14.730 5.989 10 2HE MET 1 2HE MET 1 15.560 -14.481 5.834 11 3HE MET 1 3HE MET 1 16.247 -16.118 5.677 12 H GLY 2 H GLY 2 12.117 -13.947 0.528 13 1HA GLY 2 2HA GLY 2 9.939 -13.568 0.900 14 2HA GLY 2 1HA GLY 2 9.870 -14.686 2.278 15 H ASP 3 H ASP 3 8.572 -12.565 2.627 16 HA ASP 3 HA ASP 3 8.111 -10.659 3.736 17 1HB ASP 3 2HB ASP 3 9.208 -11.650 5.693 18 2HB ASP 3 3HB ASP 3 10.758 -10.956 5.186 19 H GLY 4 H GLY 4 8.688 -8.334 3.925 20 1HA GLY 4 2HA GLY 4 10.822 -7.067 2.588 21 2HA GLY 4 1HA GLY 4 9.621 -7.424 1.337 22 H VAL 5 H VAL 5 10.488 -5.252 3.843 23 HA VAL 5 HA VAL 5 7.873 -4.027 4.157 24 HB VAL 5 HB VAL 5 10.617 -2.900 4.831 25 1HG1 VAL 5 1HG1 VAL 5 7.780 -2.112 5.666 26 2HG1 VAL 5 2HG1 VAL 5 9.270 -1.484 6.414 27 3HG1 VAL 5 3HG1 VAL 5 8.906 -1.122 4.729 28 1HG2 VAL 5 1HG2 VAL 5 8.584 -4.489 6.444 29 2HG2 VAL 5 2HG2 VAL 5 10.238 -4.991 6.052 30 3HG2 VAL 5 3HG2 VAL 5 9.976 -3.636 7.156 31 H LEU 6 H LEU 6 7.419 -4.073 1.842 32 HA LEU 6 HA LEU 6 8.786 -2.209 0.089 33 1HB LEU 6 2HB LEU 6 7.685 -4.246 -0.658 34 2HB LEU 6 3HB LEU 6 6.098 -3.606 -0.212 35 HG LEU 6 HG LEU 6 6.656 -3.615 -2.627 36 1HD1 LEU 6 1HD1 LEU 6 4.983 -2.031 -1.704 37 2HD1 LEU 6 2HD1 LEU 6 6.237 -0.770 -1.662 38 3HD1 LEU 6 3HD1 LEU 6 5.754 -1.485 -3.205 39 1HD2 LEU 6 1HD2 LEU 6 9.085 -3.063 -2.413 40 2HD2 LEU 6 2HD2 LEU 6 8.222 -2.104 -3.628 41 3HD2 LEU 6 3HD2 LEU 6 8.636 -1.374 -2.067 42 H GLU 7 H GLU 7 8.695 -0.089 0.487 43 HA GLU 7 HA GLU 7 6.243 1.242 1.499 44 1HB GLU 7 2HB GLU 7 9.014 2.271 0.837 45 2HB GLU 7 3HB GLU 7 7.700 3.253 1.488 46 1HG GLU 7 2HG GLU 7 7.746 1.960 3.579 47 2HG GLU 7 3HG GLU 7 8.967 0.867 2.896 48 H LEU 8 H LEU 8 4.840 2.031 -0.062 49 HA LEU 8 HA LEU 8 6.005 2.872 -2.681 50 1HB LEU 8 2HB LEU 8 4.003 2.198 -3.880 51 2HB LEU 8 3HB LEU 8 4.802 0.840 -3.123 52 HG LEU 8 HG LEU 8 3.055 1.146 -1.185 53 1HD1 LEU 8 1HD1 LEU 8 2.012 3.272 -1.937 54 2HD1 LEU 8 2HD1 LEU 8 1.711 2.567 -3.529 55 3HD1 LEU 8 3HD1 LEU 8 0.842 1.962 -2.108 56 1HD2 LEU 8 1HD2 LEU 8 1.482 -0.318 -2.404 57 2HD2 LEU 8 2HD2 LEU 8 2.263 0.115 -3.940 58 3HD2 LEU 8 3HD2 LEU 8 3.159 -0.794 -2.706 59 H VAL 9 H VAL 9 5.009 4.761 -3.577 60 HA VAL 9 HA VAL 9 3.735 6.458 -1.513 61 HB VAL 9 HB VAL 9 5.709 7.083 -3.674 62 1HG1 VAL 9 1HG1 VAL 9 3.906 8.644 -4.218 63 2HG1 VAL 9 2HG1 VAL 9 3.717 9.069 -2.507 64 3HG1 VAL 9 3HG1 VAL 9 5.198 9.507 -3.370 65 1HG2 VAL 9 1HG2 VAL 9 6.714 8.406 -1.854 66 2HG2 VAL 9 2HG2 VAL 9 5.298 8.139 -0.830 67 3HG2 VAL 9 3HG2 VAL 9 6.369 6.775 -1.241 68 H VAL 10 H VAL 10 1.699 6.852 -1.812 69 HA VAL 10 HA VAL 10 0.378 6.598 -4.458 70 HB VAL 10 HB VAL 10 -1.686 6.540 -2.767 71 1HG1 VAL 10 1HG1 VAL 10 -0.163 4.039 -3.498 72 2HG1 VAL 10 2HG1 VAL 10 -1.885 4.205 -3.114 73 3HG1 VAL 10 3HG1 VAL 10 -1.246 4.928 -4.598 74 1HG2 VAL 10 1HG2 VAL 10 -0.199 6.442 -0.736 75 2HG2 VAL 10 2HG2 VAL 10 -1.314 5.071 -0.913 76 3HG2 VAL 10 3HG2 VAL 10 0.397 4.871 -1.321 77 H ARG 11 H ARG 11 -0.083 8.534 -5.279 78 HA ARG 11 HA ARG 11 -1.003 10.723 -3.460 79 1HB ARG 11 2HB ARG 11 -0.899 10.669 -6.509 80 2HB ARG 11 3HB ARG 11 -1.431 11.994 -5.474 81 1HG ARG 11 2HG ARG 11 0.694 12.731 -5.744 82 2HG ARG 11 3HG ARG 11 1.006 11.646 -4.380 83 1HD ARG 11 2HD ARG 11 1.499 9.835 -6.138 84 2HD ARG 11 3HD ARG 11 1.423 11.107 -7.363 85 HE ARG 11 HE ARG 11 3.214 12.083 -5.496 86 1HH1 ARG 11 2HH2 ARG 11 2.999 9.251 -7.614 87 2HH1 ARG 11 1HH2 ARG 11 4.484 8.548 -7.057 88 1HH2 ARG 11 2HH1 ARG 11 5.471 11.465 -5.236 89 2HH2 ARG 11 1HH1 ARG 11 6.064 10.058 -6.068 90 H GLY 12 H GLY 12 -3.239 11.449 -3.808 91 1HA GLY 12 2HA GLY 12 -5.313 11.066 -5.049 92 2HA GLY 12 1HA GLY 12 -5.128 9.333 -4.810 93 H MET 13 H MET 13 -4.134 9.871 -1.915 94 HA MET 13 HA MET 13 -6.722 9.663 -0.696 95 1HB MET 13 2HB MET 13 -4.073 10.282 0.657 96 2HB MET 13 3HB MET 13 -5.554 9.758 1.436 97 1HG MET 13 2HG MET 13 -4.427 7.766 1.339 98 2HG MET 13 3HG MET 13 -5.351 7.664 -0.153 99 1HE MET 13 1HE MET 13 -1.993 8.281 1.577 100 2HE MET 13 2HE MET 13 -0.825 8.384 0.251 101 3HE MET 13 3HE MET 13 -1.927 9.736 0.543 102 H THR 14 H THR 14 -8.134 11.355 -0.567 103 HA THR 14 HA THR 14 -7.235 14.087 -0.590 104 HB THR 14 HB THR 14 -9.385 13.483 -1.494 105 HG1 THR 14 1HG THR 14 -9.015 15.592 -0.699 106 1HG2 THR 14 1HG2 THR 14 -10.427 13.085 1.344 107 2HG2 THR 14 2HG2 THR 14 -11.343 13.043 -0.164 108 3HG2 THR 14 3HG2 THR 14 -10.159 11.776 0.165 109 H CYS 15 H CYS 15 -8.592 12.072 2.059 110 HA CYS 15 HA CYS 15 -6.584 12.655 3.865 111 1HB CYS 15 2HB CYS 15 -7.334 14.974 4.069 112 2HB CYS 15 3HB CYS 15 -8.995 14.455 4.390 113 HG CYS 15 HG CYS 15 -8.447 13.219 6.627 114 H ALA 16 H ALA 16 -10.013 12.830 4.870 115 HA ALA 16 HA ALA 16 -9.630 10.517 6.567 116 1HB ALA 16 1HB ALA 16 -12.153 12.088 5.887 117 2HB ALA 16 2HB ALA 16 -11.979 10.893 7.190 118 3HB ALA 16 3HB ALA 16 -11.057 12.411 7.255 119 H SER 17 H SER 17 -11.071 8.652 6.512 120 HA SER 17 HA SER 17 -11.870 6.784 5.592 121 1HB SER 17 2HB SER 17 -12.601 8.314 3.064 122 2HB SER 17 3HB SER 17 -13.216 6.756 3.625 123 HG SER 17 HG SER 17 -13.518 9.253 4.950 124 H CYS 18 H CYS 18 -10.224 8.585 2.942 125 HA CYS 18 HA CYS 18 -9.174 6.596 1.379 126 1HB CYS 18 2HB CYS 18 -7.921 9.214 2.264 127 2HB CYS 18 3HB CYS 18 -7.279 8.164 0.981 128 HG CYS 18 HG CYS 18 -9.294 8.146 -0.549 129 H VAL 19 H VAL 19 -7.723 7.654 4.487 130 HA VAL 19 HA VAL 19 -5.465 6.037 4.386 131 HB VAL 19 HB VAL 19 -7.178 6.903 6.740 132 1HG1 VAL 19 1HG1 VAL 19 -5.234 6.399 8.174 133 2HG1 VAL 19 2HG1 VAL 19 -5.879 4.921 7.458 134 3HG1 VAL 19 3HG1 VAL 19 -4.400 5.650 6.802 135 1HG2 VAL 19 1HG2 VAL 19 -6.088 8.729 5.455 136 2HG2 VAL 19 2HG2 VAL 19 -5.384 8.552 7.066 137 3HG2 VAL 19 3HG2 VAL 19 -4.519 7.922 5.650 138 H HIS 20 H HIS 20 -8.566 5.108 6.042 139 HA HIS 20 HA HIS 20 -7.663 2.405 6.346 140 1HB HIS 20 2HB HIS 20 -9.254 2.331 7.850 141 2HB HIS 20 3HB HIS 20 -9.675 3.994 7.482 142 HD1 HIS 20 1HD HIS 20 -10.975 0.510 7.233 143 HD2 HIS 20 2HD HIS 20 -11.530 4.170 5.321 144 HE1 HIS 20 1HE HIS 20 -13.161 0.313 5.906 145 H LYS 21 H LYS 21 -9.492 4.105 3.892 146 HA LYS 21 HA LYS 21 -10.662 2.091 2.386 147 1HB LYS 21 2HB LYS 21 -10.279 4.731 2.051 148 2HB LYS 21 3HB LYS 21 -9.025 4.195 0.951 149 1HG LYS 21 2HG LYS 21 -11.988 3.489 0.794 150 2HG LYS 21 3HG LYS 21 -11.159 4.749 -0.124 151 1HD LYS 21 2HD LYS 21 -9.607 2.804 -0.984 152 2HD LYS 21 3HD LYS 21 -10.854 1.741 -0.340 153 1HE LYS 21 2HE LYS 21 -11.517 1.972 -2.583 154 2HE LYS 21 3HE LYS 21 -12.552 3.116 -1.734 155 1HZ LYS 21 1HZ LYS 21 -10.878 4.845 -2.430 156 2HZ LYS 21 2HZ LYS 21 -10.168 3.714 -3.401 157 3HZ LYS 21 3HZ LYS 21 -11.703 4.140 -3.660 158 H ILE 22 H ILE 22 -7.244 3.035 2.642 159 HA ILE 22 HA ILE 22 -6.351 1.005 0.671 160 HB ILE 22 HB ILE 22 -4.926 3.104 2.354 161 1HG1 ILE 22 2HG1 ILE 22 -5.358 2.888 -0.633 162 2HG1 ILE 22 3HG1 ILE 22 -6.317 3.908 0.472 163 1HG2 ILE 22 1HG2 ILE 22 -2.919 2.543 1.053 164 2HG2 ILE 22 2HG2 ILE 22 -3.454 1.204 2.060 165 3HG2 ILE 22 3HG2 ILE 22 -3.801 1.186 0.307 166 1HD1 ILE 22 1HD1 ILE 22 -3.388 4.296 -0.157 167 2HD1 ILE 22 2HD1 ILE 22 -4.747 5.291 -0.670 168 3HD1 ILE 22 3HD1 ILE 22 -4.340 5.211 1.050 169 H GLU 23 H GLU 23 -5.762 1.955 4.049 170 HA GLU 23 HA GLU 23 -4.159 -0.125 4.794 171 1HB GLU 23 2HB GLU 23 -5.249 2.131 5.990 172 2HB GLU 23 3HB GLU 23 -5.991 0.880 6.963 173 1HG GLU 23 2HG GLU 23 -3.799 0.060 7.623 174 2HG GLU 23 3HG GLU 23 -3.006 1.016 6.340 175 H SER 24 H SER 24 -7.666 0.041 5.491 176 HA SER 24 HA SER 24 -7.839 -2.539 6.700 177 1HB SER 24 2HB SER 24 -10.038 -0.895 5.398 178 2HB SER 24 3HB SER 24 -10.241 -2.205 6.564 179 HG SER 24 HG SER 24 -8.784 -0.848 7.946 180 H SER 25 H SER 25 -8.396 -1.293 3.413 181 HA SER 25 HA SER 25 -9.466 -3.709 2.318 182 1HB SER 25 2HB SER 25 -9.691 -1.463 1.294 183 2HB SER 25 3HB SER 25 -7.969 -1.513 0.851 184 HG SER 25 HG SER 25 -9.333 -2.251 -0.846 185 H LEU 26 H LEU 26 -6.098 -2.537 2.746 186 HA LEU 26 HA LEU 26 -4.953 -4.682 1.222 187 1HB LEU 26 2HB LEU 26 -3.885 -2.623 3.067 188 2HB LEU 26 3HB LEU 26 -2.877 -4.038 2.686 189 HG LEU 26 HG LEU 26 -4.251 -2.417 0.555 190 1HD1 LEU 26 1HD1 LEU 26 -2.776 -0.978 1.878 191 2HD1 LEU 26 2HD1 LEU 26 -1.446 -2.141 1.690 192 3HD1 LEU 26 3HD1 LEU 26 -2.065 -1.256 0.271 193 1HD2 LEU 26 1HD2 LEU 26 -1.782 -4.221 0.422 194 2HD2 LEU 26 2HD2 LEU 26 -3.379 -4.712 -0.160 195 3HD2 LEU 26 3HD2 LEU 26 -2.556 -3.372 -0.934 196 H THR 27 H THR 27 -5.531 -4.187 4.763 197 HA THR 27 HA THR 27 -4.295 -6.616 5.550 198 HB THR 27 HB THR 27 -5.724 -6.289 7.644 199 HG1 THR 27 1HG THR 27 -7.310 -5.027 6.277 200 1HG2 THR 27 1HG2 THR 27 -4.495 -4.360 8.413 201 2HG2 THR 27 2HG2 THR 27 -3.415 -5.309 7.371 202 3HG2 THR 27 3HG2 THR 27 -4.185 -3.826 6.758 203 H LYS 28 H LYS 28 -5.095 -7.994 3.949 204 HA LYS 28 HA LYS 28 -6.900 -9.978 4.533 205 1HB LYS 28 2HB LYS 28 -8.825 -9.704 3.175 206 2HB LYS 28 3HB LYS 28 -8.735 -8.364 4.281 207 1HG LYS 28 2HG LYS 28 -9.211 -7.118 2.507 208 2HG LYS 28 3HG LYS 28 -7.474 -7.229 2.196 209 1HD LYS 28 2HD LYS 28 -7.788 -8.805 0.413 210 2HD LYS 28 3HD LYS 28 -9.332 -9.341 1.059 211 1HE LYS 28 2HE LYS 28 -9.760 -8.123 -0.966 212 2HE LYS 28 3HE LYS 28 -10.443 -7.265 0.421 213 1HZ LYS 28 1HZ LYS 28 -9.384 -5.703 -0.997 214 2HZ LYS 28 2HZ LYS 28 -8.448 -5.829 0.338 215 3HZ LYS 28 3HZ LYS 28 -7.975 -6.549 -1.050 216 H HIS 29 H HIS 29 -5.080 -8.167 2.032 217 HA HIS 29 HA HIS 29 -5.031 -10.368 0.146 218 1HB HIS 29 2HB HIS 29 -3.326 -7.892 0.534 219 2HB HIS 29 3HB HIS 29 -2.993 -9.093 -0.713 220 HD1 HIS 29 1HD HIS 29 -3.989 -8.397 -2.966 221 HD2 HIS 29 2HD HIS 29 -5.943 -6.815 0.398 222 HE1 HIS 29 1HE HIS 29 -5.962 -7.077 -3.834 223 H ARG 30 H ARG 30 -4.777 -11.801 2.215 224 HA ARG 30 HA ARG 30 -3.661 -13.217 3.514 225 1HB ARG 30 2HB ARG 30 -3.881 -14.199 1.277 226 2HB ARG 30 3HB ARG 30 -2.229 -13.703 0.877 227 1HG ARG 30 2HG ARG 30 -1.349 -15.114 2.714 228 2HG ARG 30 3HG ARG 30 -3.005 -15.512 3.217 229 1HD ARG 30 2HD ARG 30 -3.414 -16.590 1.031 230 2HD ARG 30 3HD ARG 30 -1.743 -16.209 0.535 231 HE ARG 30 HE ARG 30 -1.599 -17.585 2.989 232 1HH1 ARG 30 2HH2 ARG 30 -2.605 -18.231 -0.320 233 2HH1 ARG 30 1HH2 ARG 30 -2.286 -19.938 -0.271 234 1HH2 ARG 30 2HH1 ARG 30 -1.152 -19.854 3.113 235 2HH2 ARG 30 1HH1 ARG 30 -1.430 -20.878 1.743 236 H GLY 31 H GLY 31 -0.906 -11.977 1.580 237 1HA GLY 31 2HA GLY 31 1.043 -12.737 3.597 238 2HA GLY 31 1HA GLY 31 1.326 -11.779 2.134 239 H ILE 32 H ILE 32 -0.590 -9.685 2.609 240 HA ILE 32 HA ILE 32 1.122 -8.056 4.184 241 HB ILE 32 HB ILE 32 0.193 -6.986 2.360 242 1HG1 ILE 32 2HG1 ILE 32 -0.757 -5.008 3.165 243 2HG1 ILE 32 3HG1 ILE 32 -1.484 -5.800 4.582 244 1HG2 ILE 32 1HG2 ILE 32 -1.627 -8.244 1.788 245 2HG2 ILE 32 2HG2 ILE 32 -2.529 -7.879 3.283 246 3HG2 ILE 32 3HG2 ILE 32 -2.223 -6.607 2.064 247 1HD1 ILE 32 1HD1 ILE 32 1.509 -5.775 4.141 248 2HD1 ILE 32 2HD1 ILE 32 0.659 -4.364 4.806 249 3HD1 ILE 32 3HD1 ILE 32 0.605 -5.931 5.646 250 H LEU 33 H LEU 33 1.343 -8.539 6.228 251 HA LEU 33 HA LEU 33 -0.938 -9.261 7.911 252 1HB LEU 33 2HB LEU 33 0.670 -9.936 9.521 253 2HB LEU 33 3HB LEU 33 1.155 -10.506 7.928 254 HG LEU 33 HG LEU 33 2.520 -8.078 8.116 255 1HD1 LEU 33 1HD1 LEU 33 2.679 -9.436 10.834 256 2HD1 LEU 33 2HD1 LEU 33 3.608 -8.025 10.288 257 3HD1 LEU 33 3HD1 LEU 33 1.855 -7.897 10.525 258 1HD2 LEU 33 1HD2 LEU 33 3.429 -10.176 7.247 259 2HD2 LEU 33 2HD2 LEU 33 4.521 -9.459 8.444 260 3HD2 LEU 33 3HD2 LEU 33 3.503 -10.844 8.894 261 H TYR 34 H TYR 34 1.183 -6.434 7.488 262 HA TYR 34 HA TYR 34 -0.709 -4.889 9.102 263 1HB TYR 34 2HB TYR 34 1.132 -5.658 10.680 264 2HB TYR 34 3HB TYR 34 2.282 -4.816 9.674 265 HD1 TYR 34 HD1 TYR 34 -1.060 -4.069 11.289 266 HD2 TYR 34 HD2 TYR 34 2.930 -2.682 10.426 267 HE1 TYR 34 HE1 TYR 34 -1.651 -1.831 12.156 268 HE2 TYR 34 HE2 TYR 34 2.357 -0.467 11.408 269 HH TYR 34 HH TYR 34 -0.957 0.375 12.361 270 H CYS 35 H CYS 35 -0.951 -2.803 8.373 271 HA CYS 35 HA CYS 35 0.844 -1.904 6.169 272 1HB CYS 35 2HB CYS 35 -2.028 -0.999 6.455 273 2HB CYS 35 3HB CYS 35 -0.980 -0.899 5.049 274 HG CYS 35 HG CYS 35 -3.129 -2.510 4.886 275 H SER 36 H SER 36 0.981 0.494 6.078 276 HA SER 36 HA SER 36 -0.739 1.908 7.918 277 1HB SER 36 2HB SER 36 2.103 2.922 8.058 278 2HB SER 36 3HB SER 36 0.737 3.206 9.139 279 HG SER 36 HG SER 36 0.979 0.817 9.564 280 H VAL 37 H VAL 37 -1.749 3.315 6.332 281 HA VAL 37 HA VAL 37 0.150 4.496 4.386 282 HB VAL 37 HB VAL 37 -1.865 3.321 3.520 283 1HG1 VAL 37 1HG1 VAL 37 -3.277 5.805 4.569 284 2HG1 VAL 37 2HG1 VAL 37 -3.950 4.603 3.480 285 3HG1 VAL 37 3HG1 VAL 37 -3.546 4.134 5.143 286 1HG2 VAL 37 1HG2 VAL 37 -0.501 4.897 2.235 287 2HG2 VAL 37 2HG2 VAL 37 -2.204 5.013 1.806 288 3HG2 VAL 37 3HG2 VAL 37 -1.470 6.258 2.843 289 H ALA 38 H ALA 38 0.886 6.489 4.702 290 HA ALA 38 HA ALA 38 -0.608 8.277 6.591 291 1HB ALA 38 1HB ALA 38 1.594 7.814 7.476 292 2HB ALA 38 2HB ALA 38 2.343 8.326 5.939 293 3HB ALA 38 3HB ALA 38 1.407 9.497 6.912 294 H LEU 39 H LEU 39 -1.402 10.008 5.785 295 HA LEU 39 HA LEU 39 -1.529 10.315 2.932 296 1HB LEU 39 2HB LEU 39 -3.142 12.063 3.318 297 2HB LEU 39 3HB LEU 39 -3.458 10.625 4.274 298 HG LEU 39 HG LEU 39 -2.029 12.115 6.109 299 1HD1 LEU 39 1HD1 LEU 39 -1.982 14.096 4.533 300 2HD1 LEU 39 2HD1 LEU 39 -3.755 14.082 4.529 301 3HD1 LEU 39 3HD1 LEU 39 -2.871 14.414 6.031 302 1HD2 LEU 39 1HD2 LEU 39 -5.023 12.175 5.591 303 2HD2 LEU 39 2HD2 LEU 39 -4.138 10.958 6.533 304 3HD2 LEU 39 3HD2 LEU 39 -4.223 12.631 7.108 305 H ALA 40 H ALA 40 -0.064 12.384 5.484 306 HA ALA 40 HA ALA 40 0.838 14.441 3.779 307 1HB ALA 40 1HB ALA 40 2.440 14.954 5.590 308 2HB ALA 40 2HB ALA 40 0.818 14.622 6.229 309 3HB ALA 40 3HB ALA 40 2.094 13.389 6.356 310 H THR 41 H THR 41 2.622 11.487 4.911 311 HA THR 41 HA THR 41 4.933 11.854 3.316 312 HB THR 41 HB THR 41 3.837 9.196 4.188 313 HG1 THR 41 1HG THR 41 4.816 11.133 5.995 314 1HG2 THR 41 1HG2 THR 41 6.573 10.524 4.578 315 2HG2 THR 41 2HG2 THR 41 6.161 8.836 4.930 316 3HG2 THR 41 3HG2 THR 41 6.175 9.423 3.255 317 H ASN 42 H ASN 42 1.691 11.086 2.392 318 HA ASN 42 HA ASN 42 0.693 10.108 0.658 319 1HB ASN 42 2HB ASN 42 3.285 10.877 -0.773 320 2HB ASN 42 3HB ASN 42 1.863 10.226 -1.574 321 1HD2 ASN 42 1HD2 ASN 42 2.517 12.961 0.803 322 2HD2 ASN 42 2HD2 ASN 42 1.571 14.056 -0.162 323 H LYS 43 H LYS 43 2.119 8.345 2.529 324 HA LYS 43 HA LYS 43 3.490 6.416 0.686 325 1HB LYS 43 2HB LYS 43 5.061 7.694 2.003 326 2HB LYS 43 3HB LYS 43 4.276 7.134 3.502 327 1HG LYS 43 2HG LYS 43 4.816 4.804 2.949 328 2HG LYS 43 3HG LYS 43 5.557 5.300 1.422 329 1HD LYS 43 2HD LYS 43 6.491 6.273 4.173 330 2HD LYS 43 3HD LYS 43 7.068 4.792 3.405 331 1HE LYS 43 2HE LYS 43 7.806 6.175 1.409 332 2HE LYS 43 3HE LYS 43 7.440 7.634 2.325 333 1HZ LYS 43 1HZ LYS 43 9.133 7.219 3.790 334 2HZ LYS 43 2HZ LYS 43 9.249 5.578 3.421 335 3HZ LYS 43 3HZ LYS 43 9.804 6.750 2.417 336 H ALA 44 H ALA 44 2.815 4.376 0.716 337 HA ALA 44 HA ALA 44 1.287 3.276 3.052 338 1HB ALA 44 1HB ALA 44 1.495 2.217 0.226 339 2HB ALA 44 2HB ALA 44 0.583 1.502 1.567 340 3HB ALA 44 3HB ALA 44 0.081 3.061 0.889 341 H HIS 45 H HIS 45 2.423 2.241 4.403 342 HA HIS 45 HA HIS 45 4.938 0.838 3.743 343 1HB HIS 45 2HB HIS 45 5.365 1.840 5.739 344 2HB HIS 45 3HB HIS 45 3.681 2.155 6.095 345 HD1 HIS 45 1HD HIS 45 3.543 1.364 8.567 346 HD2 HIS 45 2HD HIS 45 5.072 -1.464 5.866 347 HE1 HIS 45 1HE HIS 45 4.214 -0.641 9.943 348 H ILE 46 H ILE 46 4.702 -1.294 3.234 349 HA ILE 46 HA ILE 46 2.304 -2.798 4.181 350 HB ILE 46 HB ILE 46 3.985 -3.071 1.687 351 1HG1 ILE 46 2HG1 ILE 46 1.416 -2.790 0.757 352 2HG1 ILE 46 3HG1 ILE 46 1.287 -1.827 2.229 353 1HG2 ILE 46 1HG2 ILE 46 3.169 -5.248 2.543 354 2HG2 ILE 46 2HG2 ILE 46 1.503 -4.666 2.254 355 3HG2 ILE 46 3HG2 ILE 46 2.644 -4.827 0.913 356 1HD1 ILE 46 1HD1 ILE 46 1.860 -0.450 0.276 357 2HD1 ILE 46 2HD1 ILE 46 3.232 -0.451 1.397 358 3HD1 ILE 46 3HD1 ILE 46 3.282 -1.460 -0.057 359 H LYS 47 H LYS 47 2.768 -4.407 5.487 360 HA LYS 47 HA LYS 47 5.493 -5.677 5.625 361 1HB LYS 47 2HB LYS 47 3.210 -5.713 7.604 362 2HB LYS 47 3HB LYS 47 4.653 -6.697 7.720 363 1HG LYS 47 2HG LYS 47 5.108 -3.795 7.268 364 2HG LYS 47 3HG LYS 47 4.391 -4.203 8.832 365 1HD LYS 47 2HD LYS 47 6.202 -5.900 9.220 366 2HD LYS 47 3HD LYS 47 6.963 -5.428 7.707 367 1HE LYS 47 2HE LYS 47 6.561 -3.748 10.235 368 2HE LYS 47 3HE LYS 47 8.096 -4.346 9.582 369 1HZ LYS 47 1HZ LYS 47 7.701 -2.912 7.653 370 2HZ LYS 47 2HZ LYS 47 6.329 -2.322 8.356 371 3HZ LYS 47 3HZ LYS 47 7.792 -2.047 9.052 372 H TYR 48 H TYR 48 5.302 -7.037 3.801 373 HA TYR 48 HA TYR 48 3.359 -9.214 3.938 374 1HB TYR 48 2HB TYR 48 2.411 -8.905 1.853 375 2HB TYR 48 3HB TYR 48 2.383 -7.281 2.503 376 HD1 TYR 48 HD1 TYR 48 5.334 -6.472 1.926 377 HD2 TYR 48 HD2 TYR 48 2.315 -8.433 -0.450 378 HE1 TYR 48 HE1 TYR 48 6.680 -6.119 -0.075 379 HE2 TYR 48 HE2 TYR 48 3.483 -7.709 -2.481 380 HH TYR 48 HH TYR 48 5.395 -6.706 -3.351 381 H ASP 49 H ASP 49 3.887 -10.703 1.843 382 HA ASP 49 HA ASP 49 6.823 -10.959 1.778 383 1HB ASP 49 2HB ASP 49 5.553 -12.848 2.580 384 2HB ASP 49 3HB ASP 49 4.630 -12.886 1.072 385 HA PRO 50 HA PRO 50 6.282 -9.378 -2.408 386 1HB PRO 50 2HB PRO 50 8.861 -8.934 -3.098 387 2HB PRO 50 3HB PRO 50 8.068 -7.996 -1.798 388 1HG PRO 50 2HG PRO 50 9.825 -10.449 -1.480 389 2HG PRO 50 3HG PRO 50 9.986 -8.883 -0.640 390 1HD PRO 50 2HD PRO 50 8.666 -11.011 0.459 391 2HD PRO 50 3HD PRO 50 8.106 -9.323 0.723 392 H GLU 51 H GLU 51 7.483 -12.522 -1.571 393 HA GLU 51 HA GLU 51 8.380 -13.172 -4.322 394 1HB GLU 51 2HB GLU 51 8.533 -14.708 -1.694 395 2HB GLU 51 3HB GLU 51 9.099 -15.291 -3.266 396 1HG GLU 51 2HG GLU 51 10.662 -13.371 -3.436 397 2HG GLU 51 3HG GLU 51 10.084 -12.758 -1.879 398 H ILE 52 H ILE 52 6.096 -14.307 -1.782 399 HA ILE 52 HA ILE 52 4.731 -16.068 -3.653 400 HB ILE 52 HB ILE 52 2.961 -16.179 -1.826 401 1HG1 ILE 52 2HG1 ILE 52 4.965 -15.401 0.200 402 2HG1 ILE 52 3HG1 ILE 52 4.198 -14.055 -0.638 403 1HG2 ILE 52 1HG2 ILE 52 4.618 -17.940 -2.255 404 2HG2 ILE 52 2HG2 ILE 52 5.822 -17.064 -1.283 405 3HG2 ILE 52 3HG2 ILE 52 4.374 -17.741 -0.510 406 1HD1 ILE 52 1HD1 ILE 52 1.965 -14.922 -0.048 407 2HD1 ILE 52 2HD1 ILE 52 2.716 -16.325 0.752 408 3HD1 ILE 52 3HD1 ILE 52 2.958 -14.693 1.404 409 H ILE 53 H ILE 53 3.101 -13.413 -1.920 410 HA ILE 53 HA ILE 53 1.161 -13.254 -4.044 411 HB ILE 53 HB ILE 53 0.447 -12.886 -1.834 412 1HG1 ILE 53 2HG1 ILE 53 0.273 -10.195 -3.242 413 2HG1 ILE 53 3HG1 ILE 53 -0.533 -11.652 -3.836 414 1HG2 ILE 53 1HG2 ILE 53 2.471 -11.896 -0.782 415 2HG2 ILE 53 2HG2 ILE 53 2.147 -10.373 -1.642 416 3HG2 ILE 53 3HG2 ILE 53 1.013 -10.980 -0.432 417 1HD1 ILE 53 1HD1 ILE 53 -0.999 -10.249 -1.187 418 2HD1 ILE 53 2HD1 ILE 53 -2.141 -10.466 -2.524 419 3HD1 ILE 53 3HD1 ILE 53 -1.655 -11.865 -1.558 420 H GLY 54 H GLY 54 3.639 -10.936 -2.896 421 1HA GLY 54 2HA GLY 54 5.179 -9.853 -4.167 422 2HA GLY 54 1HA GLY 54 4.473 -10.441 -5.660 423 HA PRO 55 HA PRO 55 3.702 -5.859 -4.415 424 1HB PRO 55 2HB PRO 55 5.151 -4.620 -6.423 425 2HB PRO 55 3HB PRO 55 5.823 -5.074 -4.839 426 1HG PRO 55 2HG PRO 55 6.009 -6.600 -7.442 427 2HG PRO 55 3HG PRO 55 7.311 -6.266 -6.266 428 1HD PRO 55 2HD PRO 55 6.014 -8.649 -6.310 429 2HD PRO 55 3HD PRO 55 6.493 -7.909 -4.764 430 H ARG 56 H ARG 56 3.871 -7.378 -7.592 431 HA ARG 56 HA ARG 56 2.249 -6.072 -9.267 432 1HB ARG 56 2HB ARG 56 1.550 -8.332 -10.115 433 2HB ARG 56 3HB ARG 56 3.274 -8.114 -9.843 434 1HG ARG 56 2HG ARG 56 2.555 -9.227 -7.422 435 2HG ARG 56 3HG ARG 56 1.357 -9.961 -8.483 436 1HD ARG 56 2HD ARG 56 3.151 -10.906 -9.865 437 2HD ARG 56 3HD ARG 56 4.362 -9.962 -8.962 438 HE ARG 56 HE ARG 56 2.761 -11.672 -7.230 439 1HH1 ARG 56 2HH2 ARG 56 5.715 -11.571 -9.185 440 2HH1 ARG 56 1HH2 ARG 56 6.557 -12.717 -8.180 441 1HH2 ARG 56 2HH1 ARG 56 3.773 -13.419 -6.105 442 2HH2 ARG 56 1HH1 ARG 56 5.457 -13.664 -6.273 443 H ASP 57 H ASP 57 0.822 -8.358 -6.907 444 HA ASP 57 HA ASP 57 -1.898 -7.911 -7.524 445 1HB ASP 57 2HB ASP 57 -1.230 -9.839 -6.236 446 2HB ASP 57 3HB ASP 57 -0.425 -8.835 -5.022 447 H ILE 58 H ILE 58 0.043 -6.653 -4.830 448 HA ILE 58 HA ILE 58 -1.909 -4.930 -3.776 449 HB ILE 58 HB ILE 58 1.124 -5.009 -3.584 450 1HG1 ILE 58 2HG1 ILE 58 -1.249 -5.822 -1.834 451 2HG1 ILE 58 3HG1 ILE 58 -0.071 -6.871 -2.635 452 1HG2 ILE 58 1HG2 ILE 58 1.003 -3.405 -1.713 453 2HG2 ILE 58 2HG2 ILE 58 0.544 -2.657 -3.228 454 3HG2 ILE 58 3HG2 ILE 58 -0.712 -3.115 -2.070 455 1HD1 ILE 58 1HD1 ILE 58 0.474 -6.809 -0.332 456 2HD1 ILE 58 2HD1 ILE 58 1.704 -5.824 -1.176 457 3HD1 ILE 58 3HD1 ILE 58 0.386 -5.044 -0.261 458 H ILE 59 H ILE 59 0.853 -3.994 -5.878 459 HA ILE 59 HA ILE 59 0.144 -1.294 -6.123 460 HB ILE 59 HB ILE 59 1.680 -3.216 -7.887 461 1HG1 ILE 59 2HG1 ILE 59 2.499 -0.812 -6.205 462 2HG1 ILE 59 3HG1 ILE 59 2.619 -2.508 -5.712 463 1HG2 ILE 59 1HG2 ILE 59 0.696 -1.561 -9.447 464 2HG2 ILE 59 2HG2 ILE 59 1.350 -0.247 -8.441 465 3HG2 ILE 59 3HG2 ILE 59 2.430 -1.365 -9.297 466 1HD1 ILE 59 1HD1 ILE 59 4.131 -2.888 -7.721 467 2HD1 ILE 59 2HD1 ILE 59 4.182 -1.119 -7.914 468 3HD1 ILE 59 3HD1 ILE 59 4.787 -1.859 -6.428 469 H HIS 60 H HIS 60 -0.949 -4.045 -8.214 470 HA HIS 60 HA HIS 60 -2.478 -2.207 -9.849 471 1HB HIS 60 2HB HIS 60 -2.504 -5.226 -9.661 472 2HB HIS 60 3HB HIS 60 -3.486 -4.287 -10.797 473 HD1 HIS 60 1HD HIS 60 -1.510 -2.141 -11.867 474 HD2 HIS 60 2HD HIS 60 -0.511 -6.179 -11.116 475 HE1 HIS 60 1HE HIS 60 0.566 -2.665 -13.253 476 H THR 61 H THR 61 -3.219 -4.068 -6.930 477 HA THR 61 HA THR 61 -6.059 -3.576 -7.017 478 HB THR 61 HB THR 61 -4.242 -3.934 -4.591 479 HG1 THR 61 1HG THR 61 -4.231 -5.712 -5.974 480 1HG2 THR 61 1HG2 THR 61 -6.455 -2.903 -4.022 481 2HG2 THR 61 2HG2 THR 61 -7.265 -4.219 -4.900 482 3HG2 THR 61 3HG2 THR 61 -6.315 -4.561 -3.440 483 H ILE 62 H ILE 62 -3.377 -1.822 -5.347 484 HA ILE 62 HA ILE 62 -5.017 0.269 -4.391 485 HB ILE 62 HB ILE 62 -2.013 0.146 -4.863 486 1HG1 ILE 62 2HG1 ILE 62 -2.455 -1.576 -3.282 487 2HG1 ILE 62 3HG1 ILE 62 -2.052 -0.194 -2.293 488 1HG2 ILE 62 1HG2 ILE 62 -3.653 2.082 -3.184 489 2HG2 ILE 62 2HG2 ILE 62 -1.885 1.908 -3.132 490 3HG2 ILE 62 3HG2 ILE 62 -2.666 2.453 -4.619 491 1HD1 ILE 62 1HD1 ILE 62 -4.571 0.185 -2.033 492 2HD1 ILE 62 2HD1 ILE 62 -4.782 -1.385 -2.871 493 3HD1 ILE 62 3HD1 ILE 62 -3.920 -1.309 -1.338 494 H GLU 63 H GLU 63 -3.195 0.014 -7.447 495 HA GLU 63 HA GLU 63 -3.712 2.525 -8.567 496 1HB GLU 63 2HB GLU 63 -2.236 0.744 -9.448 497 2HB GLU 63 3HB GLU 63 -3.635 -0.280 -9.756 498 1HG GLU 63 2HG GLU 63 -4.464 1.319 -11.399 499 2HG GLU 63 3HG GLU 63 -3.059 2.363 -11.087 500 H SER 64 H SER 64 -5.599 -0.510 -9.013 501 HA SER 64 HA SER 64 -7.849 0.669 -10.207 502 1HB SER 64 2HB SER 64 -7.293 -1.718 -10.240 503 2HB SER 64 3HB SER 64 -7.783 -1.857 -8.537 504 HG SER 64 HG SER 64 -9.849 -0.840 -9.417 505 H LEU 65 H LEU 65 -7.021 0.430 -6.806 506 HA LEU 65 HA LEU 65 -9.637 0.993 -5.755 507 1HB LEU 65 2HB LEU 65 -7.595 -0.240 -4.707 508 2HB LEU 65 3HB LEU 65 -7.002 1.382 -4.333 509 HG LEU 65 HG LEU 65 -9.100 1.714 -2.979 510 1HD1 LEU 65 1HD1 LEU 65 -10.366 -0.358 -2.333 511 2HD1 LEU 65 2HD1 LEU 65 -10.621 0.059 -4.029 512 3HD1 LEU 65 3HD1 LEU 65 -9.507 -1.254 -3.600 513 1HD2 LEU 65 1HD2 LEU 65 -6.986 1.007 -1.942 514 2HD2 LEU 65 2HD2 LEU 65 -8.340 0.168 -1.168 515 3HD2 LEU 65 3HD2 LEU 65 -7.329 -0.689 -2.338 516 H GLY 66 H GLY 66 -7.443 3.006 -7.374 517 1HA GLY 66 2HA GLY 66 -8.102 5.102 -8.077 518 2HA GLY 66 1HA GLY 66 -9.137 5.317 -6.661 519 H PHE 67 H PHE 67 -5.649 4.454 -7.003 520 HA PHE 67 HA PHE 67 -4.809 7.046 -5.892 521 1HB PHE 67 2HB PHE 67 -3.916 4.392 -4.714 522 2HB PHE 67 3HB PHE 67 -3.428 6.006 -4.191 523 HD1 PHE 67 1HD PHE 67 -5.783 3.330 -3.695 524 HD2 PHE 67 2HD PHE 67 -5.275 7.577 -3.300 525 HE1 PHE 67 1HE PHE 67 -7.637 3.398 -2.060 526 HE2 PHE 67 2HE PHE 67 -7.283 7.689 -1.853 527 HZ PHE 67 HZ PHE 67 -8.404 5.590 -1.131 528 H GLU 68 H GLU 68 -2.309 7.094 -6.034 529 HA GLU 68 HA GLU 68 -1.508 5.727 -8.565 530 1HB GLU 68 2HB GLU 68 -1.985 8.159 -8.583 531 2HB GLU 68 3HB GLU 68 -0.604 8.423 -7.514 532 1HG GLU 68 2HG GLU 68 -0.300 6.966 -10.179 533 2HG GLU 68 3HG GLU 68 -0.355 8.729 -10.092 534 HA PRO 69 HA PRO 69 1.249 4.159 -5.262 535 1HB PRO 69 2HB PRO 69 1.252 1.487 -5.826 536 2HB PRO 69 3HB PRO 69 -0.156 2.295 -5.095 537 1HG PRO 69 2HG PRO 69 0.280 1.744 -8.043 538 2HG PRO 69 3HG PRO 69 -1.128 1.292 -7.034 539 1HD PRO 69 2HD PRO 69 -1.150 3.536 -8.528 540 2HD PRO 69 3HD PRO 69 -1.832 3.534 -6.873 541 H SER 70 H SER 70 2.719 5.565 -6.593 542 HA SER 70 HA SER 70 4.568 4.249 -8.421 543 1HB SER 70 2HB SER 70 5.946 6.262 -8.079 544 2HB SER 70 3HB SER 70 4.261 6.651 -8.453 545 HG SER 70 HG SER 70 4.199 6.563 -5.904 546 H LEU 71 H LEU 71 6.538 3.182 -7.953 547 HA LEU 71 HA LEU 71 7.162 2.538 -5.154 548 1HB LEU 71 2HB LEU 71 7.446 0.769 -6.741 549 2HB LEU 71 3HB LEU 71 8.338 1.817 -7.856 550 HG LEU 71 HG LEU 71 10.191 1.999 -6.326 551 1HD1 LEU 71 1HD1 LEU 71 8.575 0.158 -4.495 552 2HD1 LEU 71 2HD1 LEU 71 10.303 0.508 -4.284 553 3HD1 LEU 71 3HD1 LEU 71 9.119 1.803 -4.114 554 1HD2 LEU 71 1HD2 LEU 71 11.007 -0.322 -6.472 555 2HD2 LEU 71 2HD2 LEU 71 9.348 -0.899 -6.747 556 3HD2 LEU 71 3HD2 LEU 71 10.143 0.145 -7.947 557 H VAL 72 H VAL 72 8.206 4.085 -4.030 558 HA VAL 72 HA VAL 72 10.277 5.796 -5.351 559 HB VAL 72 HB VAL 72 8.145 6.751 -3.394 560 1HG1 VAL 72 1HG1 VAL 72 10.290 7.920 -3.067 561 2HG1 VAL 72 2HG1 VAL 72 10.390 8.264 -4.805 562 3HG1 VAL 72 3HG1 VAL 72 9.110 8.995 -3.813 563 1HG2 VAL 72 1HG2 VAL 72 8.553 7.362 -6.359 564 2HG2 VAL 72 2HG2 VAL 72 7.202 6.456 -5.649 565 3HG2 VAL 72 3HG2 VAL 72 7.389 8.175 -5.291 566 H LYS 73 H LYS 73 8.872 4.709 -2.249 567 HA LYS 73 HA LYS 73 9.731 3.985 -0.359 568 1HB LYS 73 2HB LYS 73 11.384 2.672 -1.799 569 2HB LYS 73 3HB LYS 73 12.552 3.968 -1.481 570 1HG LYS 73 2HG LYS 73 11.998 3.593 1.028 571 2HG LYS 73 3HG LYS 73 11.222 2.092 0.500 572 1HD LYS 73 2HD LYS 73 13.396 1.452 -0.637 573 2HD LYS 73 3HD LYS 73 14.147 2.870 0.106 574 1HE LYS 73 2HE LYS 73 12.907 0.452 1.514 575 2HE LYS 73 3HE LYS 73 14.621 0.895 1.470 576 1HZ LYS 73 1HZ LYS 73 13.620 1.517 3.549 577 2HZ LYS 73 2HZ LYS 73 13.976 2.914 2.742 578 3HZ LYS 73 3HZ LYS 73 12.435 2.345 2.818 579 H ILE 74 H ILE 74 12.104 6.317 -1.735 580 HA ILE 74 HA ILE 74 12.599 7.577 0.809 581 HB ILE 74 HB ILE 74 13.732 9.309 -0.454 582 1HG1 ILE 74 2HG1 ILE 74 12.721 7.952 -2.996 583 2HG1 ILE 74 3HG1 ILE 74 12.145 9.503 -2.360 584 1HG2 ILE 74 1HG2 ILE 74 14.788 7.074 0.004 585 2HG2 ILE 74 2HG2 ILE 74 14.370 6.580 -1.649 586 3HG2 ILE 74 3HG2 ILE 74 15.487 7.931 -1.370 587 1HD1 ILE 74 1HD1 ILE 74 13.732 9.943 -4.101 588 2HD1 ILE 74 2HD1 ILE 74 14.466 10.411 -2.554 589 3HD1 ILE 74 3HD1 ILE 74 14.952 8.898 -3.359 590 H GLU 75 H GLU 75 12.162 9.970 1.149 591 HA GLU 75 HA GLU 75 9.262 10.226 1.185 592 1HB GLU 75 2HB GLU 75 11.181 12.205 2.385 593 2HB GLU 75 3HB GLU 75 9.580 11.697 2.934 594 1HG GLU 75 2HG GLU 75 12.240 10.241 3.237 595 2HG GLU 75 3HG GLU 75 11.156 10.811 4.500 Start of MODEL 20 1 1H MET 1 H1 MET 1 8.959 -16.555 1.404 2 2H MET 1 H2 MET 1 7.456 -16.168 2.037 3 3H MET 1 H3 MET 1 8.465 -14.992 1.723 4 HA MET 1 HA MET 1 8.099 -16.037 4.088 5 1HB MET 1 2HB MET 1 9.056 -18.203 3.371 6 2HB MET 1 3HB MET 1 10.578 -17.400 2.952 7 1HG MET 1 2HG MET 1 10.994 -16.864 5.298 8 2HG MET 1 3HG MET 1 9.376 -17.427 5.750 9 1HE MET 1 1HE MET 1 12.781 -20.259 4.428 10 2HE MET 1 2HE MET 1 11.863 -19.304 3.247 11 3HE MET 1 3HE MET 1 12.920 -18.485 4.428 12 H GLY 2 H GLY 2 9.235 -14.853 5.670 13 1HA GLY 2 2HA GLY 2 10.425 -13.029 6.448 14 2HA GLY 2 1HA GLY 2 11.318 -12.914 4.918 15 H ASP 3 H ASP 3 10.053 -10.617 6.281 16 HA ASP 3 HA ASP 3 7.702 -10.008 4.607 17 1HB ASP 3 2HB ASP 3 7.590 -7.992 5.925 18 2HB ASP 3 3HB ASP 3 7.715 -9.389 7.007 19 H GLY 4 H GLY 4 7.733 -8.214 3.229 20 1HA GLY 4 2HA GLY 4 10.327 -6.947 2.496 21 2HA GLY 4 1HA GLY 4 9.143 -7.460 1.269 22 H VAL 5 H VAL 5 10.113 -4.738 2.473 23 HA VAL 5 HA VAL 5 7.513 -3.596 3.351 24 HB VAL 5 HB VAL 5 10.304 -2.399 3.513 25 1HG1 VAL 5 1HG1 VAL 5 9.207 -0.850 5.103 26 2HG1 VAL 5 2HG1 VAL 5 8.432 -0.739 3.519 27 3HG1 VAL 5 3HG1 VAL 5 7.642 -1.643 4.823 28 1HG2 VAL 5 1HG2 VAL 5 8.615 -3.926 5.510 29 2HG2 VAL 5 2HG2 VAL 5 10.232 -4.379 4.938 30 3HG2 VAL 5 3HG2 VAL 5 10.037 -2.951 5.966 31 H LEU 6 H LEU 6 6.499 -3.479 1.292 32 HA LEU 6 HA LEU 6 7.859 -1.949 -0.838 33 1HB LEU 6 2HB LEU 6 6.071 -3.859 -1.168 34 2HB LEU 6 3HB LEU 6 4.913 -2.579 -0.907 35 HG LEU 6 HG LEU 6 5.228 -2.837 -3.227 36 1HD1 LEU 6 1HD1 LEU 6 5.902 -0.667 -3.972 37 2HD1 LEU 6 2HD1 LEU 6 5.202 -0.461 -2.350 38 3HD1 LEU 6 3HD1 LEU 6 6.964 -0.427 -2.575 39 1HD2 LEU 6 1HD2 LEU 6 7.447 -4.029 -3.101 40 2HD2 LEU 6 2HD2 LEU 6 7.311 -2.843 -4.413 41 3HD2 LEU 6 3HD2 LEU 6 8.242 -2.453 -2.962 42 H GLU 7 H GLU 7 8.350 -0.070 0.330 43 HA GLU 7 HA GLU 7 6.181 1.765 1.118 44 1HB GLU 7 2HB GLU 7 9.111 2.240 0.435 45 2HB GLU 7 3HB GLU 7 7.937 3.469 0.893 46 1HG GLU 7 2HG GLU 7 7.622 1.699 2.971 47 2HG GLU 7 3HG GLU 7 9.324 1.446 2.550 48 H LEU 8 H LEU 8 4.822 2.584 -0.393 49 HA LEU 8 HA LEU 8 6.074 3.563 -2.869 50 1HB LEU 8 2HB LEU 8 4.072 2.987 -4.228 51 2HB LEU 8 3HB LEU 8 4.902 1.582 -3.616 52 HG LEU 8 HG LEU 8 3.121 1.586 -1.688 53 1HD1 LEU 8 1HD1 LEU 8 1.818 3.340 -3.820 54 2HD1 LEU 8 2HD1 LEU 8 0.902 2.470 -2.577 55 3HD1 LEU 8 3HD1 LEU 8 2.017 3.751 -2.114 56 1HD2 LEU 8 1HD2 LEU 8 1.630 0.242 -3.075 57 2HD2 LEU 8 2HD2 LEU 8 2.315 0.951 -4.550 58 3HD2 LEU 8 3HD2 LEU 8 3.299 -0.105 -3.523 59 H VAL 9 H VAL 9 5.117 5.510 -3.648 60 HA VAL 9 HA VAL 9 3.646 7.059 -1.562 61 HB VAL 9 HB VAL 9 5.352 7.923 -3.910 62 1HG1 VAL 9 1HG1 VAL 9 3.465 9.476 -3.756 63 2HG1 VAL 9 2HG1 VAL 9 3.692 9.617 -1.994 64 3HG1 VAL 9 3HG1 VAL 9 4.916 10.246 -3.111 65 1HG2 VAL 9 1HG2 VAL 9 5.585 8.365 -0.895 66 2HG2 VAL 9 2HG2 VAL 9 6.593 7.242 -1.840 67 3HG2 VAL 9 3HG2 VAL 9 6.711 8.989 -2.116 68 H VAL 10 H VAL 10 1.635 7.779 -2.062 69 HA VAL 10 HA VAL 10 0.511 7.034 -4.734 70 HB VAL 10 HB VAL 10 -1.734 7.250 -3.429 71 1HG1 VAL 10 1HG1 VAL 10 -1.704 4.850 -2.885 72 2HG1 VAL 10 2HG1 VAL 10 -1.090 5.203 -4.505 73 3HG1 VAL 10 3HG1 VAL 10 0.045 4.821 -3.186 74 1HG2 VAL 10 1HG2 VAL 10 -1.702 6.473 -1.167 75 2HG2 VAL 10 2HG2 VAL 10 0.066 6.376 -1.137 76 3HG2 VAL 10 3HG2 VAL 10 -0.742 7.959 -1.290 77 H ARG 11 H ARG 11 -1.401 8.536 -5.172 78 HA ARG 11 HA ARG 11 -1.485 11.014 -3.704 79 1HB ARG 11 2HB ARG 11 -1.313 10.946 -6.745 80 2HB ARG 11 3HB ARG 11 -1.989 12.300 -5.847 81 1HG ARG 11 2HG ARG 11 0.882 11.275 -5.733 82 2HG ARG 11 3HG ARG 11 0.287 12.705 -6.585 83 1HD ARG 11 2HD ARG 11 -0.500 13.605 -4.324 84 2HD ARG 11 3HD ARG 11 0.405 12.260 -3.587 85 HE ARG 11 HE ARG 11 2.107 13.618 -5.390 86 1HH1 ARG 11 2HH2 ARG 11 0.655 13.993 -2.168 87 2HH1 ARG 11 1HH2 ARG 11 1.715 15.273 -1.679 88 1HH2 ARG 11 2HH1 ARG 11 3.607 15.229 -4.697 89 2HH2 ARG 11 1HH1 ARG 11 3.491 15.918 -3.111 90 H GLY 12 H GLY 12 -3.731 11.954 -4.240 91 1HA GLY 12 2HA GLY 12 -5.939 11.657 -4.859 92 2HA GLY 12 1HA GLY 12 -5.688 9.939 -5.137 93 H MET 13 H MET 13 -4.358 10.491 -2.092 94 HA MET 13 HA MET 13 -6.625 9.246 -0.783 95 1HB MET 13 2HB MET 13 -4.059 10.335 0.393 96 2HB MET 13 3HB MET 13 -5.249 9.336 1.234 97 1HG MET 13 2HG MET 13 -4.850 7.571 -0.552 98 2HG MET 13 3HG MET 13 -3.420 8.495 -1.021 99 1HE MET 13 1HE MET 13 -2.391 9.588 1.859 100 2HE MET 13 2HE MET 13 -1.307 8.269 2.359 101 3HE MET 13 3HE MET 13 -1.286 8.850 0.686 102 H THR 14 H THR 14 -7.816 11.456 -1.660 103 HA THR 14 HA THR 14 -7.331 13.789 -0.035 104 HB THR 14 HB THR 14 -7.812 13.925 -2.406 105 HG1 THR 14 1HG THR 14 -9.757 15.093 -0.730 106 1HG2 THR 14 1HG2 THR 14 -10.089 13.629 -3.289 107 2HG2 THR 14 2HG2 THR 14 -9.436 12.088 -2.727 108 3HG2 THR 14 3HG2 THR 14 -10.634 12.955 -1.746 109 H CYS 15 H CYS 15 -8.190 11.664 1.726 110 HA CYS 15 HA CYS 15 -10.191 13.045 3.214 111 1HB CYS 15 2HB CYS 15 -11.764 12.088 1.495 112 2HB CYS 15 3HB CYS 15 -11.138 10.468 1.865 113 HG CYS 15 HG CYS 15 -12.622 12.656 3.830 114 H ALA 16 H ALA 16 -10.163 12.267 5.346 115 HA ALA 16 HA ALA 16 -8.104 10.711 6.374 116 1HB ALA 16 1HB ALA 16 -10.957 10.975 7.428 117 2HB ALA 16 2HB ALA 16 -9.561 10.397 8.352 118 3HB ALA 16 3HB ALA 16 -9.603 12.082 7.778 119 H SER 17 H SER 17 -11.419 9.638 5.486 120 HA SER 17 HA SER 17 -11.405 7.017 6.206 121 1HB SER 17 2HB SER 17 -12.460 8.094 3.560 122 2HB SER 17 3HB SER 17 -13.100 6.734 4.503 123 HG SER 17 HG SER 17 -13.601 8.241 6.164 124 H CYS 18 H CYS 18 -9.662 8.418 3.381 125 HA CYS 18 HA CYS 18 -9.223 5.999 1.976 126 1HB CYS 18 2HB CYS 18 -7.493 8.504 2.127 127 2HB CYS 18 3HB CYS 18 -7.312 7.198 0.947 128 HG CYS 18 HG CYS 18 -8.533 9.278 -0.143 129 H VAL 19 H VAL 19 -7.544 7.402 4.804 130 HA VAL 19 HA VAL 19 -5.238 5.820 4.796 131 HB VAL 19 HB VAL 19 -6.857 6.909 7.140 132 1HG1 VAL 19 1HG1 VAL 19 -4.851 6.750 8.481 133 2HG1 VAL 19 2HG1 VAL 19 -5.318 5.140 7.927 134 3HG1 VAL 19 3HG1 VAL 19 -3.963 5.989 7.155 135 1HG2 VAL 19 1HG2 VAL 19 -5.179 8.726 7.117 136 2HG2 VAL 19 2HG2 VAL 19 -4.425 8.016 5.672 137 3HG2 VAL 19 3HG2 VAL 19 -6.071 8.677 5.594 138 H HIS 20 H HIS 20 -8.325 5.277 6.606 139 HA HIS 20 HA HIS 20 -7.502 2.665 7.434 140 1HB HIS 20 2HB HIS 20 -9.067 2.979 8.923 141 2HB HIS 20 3HB HIS 20 -9.442 4.541 8.221 142 HD1 HIS 20 1HD HIS 20 -11.318 1.969 9.514 143 HD2 HIS 20 2HD HIS 20 -11.220 3.771 5.720 144 HE1 HIS 20 1HE HIS 20 -13.605 1.620 8.465 145 H LYS 21 H LYS 21 -9.238 3.948 4.612 146 HA LYS 21 HA LYS 21 -10.455 1.529 3.871 147 1HB LYS 21 2HB LYS 21 -10.590 3.960 2.751 148 2HB LYS 21 3HB LYS 21 -9.401 3.287 1.662 149 1HG LYS 21 2HG LYS 21 -12.230 2.313 2.202 150 2HG LYS 21 3HG LYS 21 -11.541 2.900 0.682 151 1HD LYS 21 2HD LYS 21 -9.992 0.863 0.741 152 2HD LYS 21 3HD LYS 21 -10.973 0.260 2.100 153 1HE LYS 21 2HE LYS 21 -13.003 0.427 0.576 154 2HE LYS 21 3HE LYS 21 -11.880 0.700 -0.764 155 1HZ LYS 21 1HZ LYS 21 -12.440 -1.601 -0.602 156 2HZ LYS 21 2HZ LYS 21 -10.862 -1.510 -0.167 157 3HZ LYS 21 3HZ LYS 21 -12.015 -1.685 0.977 158 H ILE 22 H ILE 22 -7.280 2.958 2.994 159 HA ILE 22 HA ILE 22 -6.571 0.853 1.173 160 HB ILE 22 HB ILE 22 -4.771 2.790 2.697 161 1HG1 ILE 22 2HG1 ILE 22 -5.542 2.850 -0.221 162 2HG1 ILE 22 3HG1 ILE 22 -6.542 3.644 1.011 163 1HG2 ILE 22 1HG2 ILE 22 -3.237 2.164 0.646 164 2HG2 ILE 22 2HG2 ILE 22 -3.386 0.995 1.962 165 3HG2 ILE 22 3HG2 ILE 22 -4.322 0.793 0.449 166 1HD1 ILE 22 1HD1 ILE 22 -4.634 5.005 1.741 167 2HD1 ILE 22 2HD1 ILE 22 -3.635 4.327 0.431 168 3HD1 ILE 22 3HD1 ILE 22 -5.067 5.290 0.046 169 H GLU 23 H GLU 23 -5.653 1.605 4.537 170 HA GLU 23 HA GLU 23 -4.169 -0.589 5.255 171 1HB GLU 23 2HB GLU 23 -5.025 1.495 6.605 172 2HB GLU 23 3HB GLU 23 -6.397 0.490 7.050 173 1HG GLU 23 2HG GLU 23 -3.502 -0.349 7.435 174 2HG GLU 23 3HG GLU 23 -4.474 0.481 8.662 175 H SER 24 H SER 24 -7.709 -0.355 5.557 176 HA SER 24 HA SER 24 -8.128 -3.020 6.435 177 1HB SER 24 2HB SER 24 -9.740 -1.197 6.749 178 2HB SER 24 3HB SER 24 -10.027 -1.112 5.002 179 HG SER 24 HG SER 24 -10.515 -3.378 6.651 180 H SER 25 H SER 25 -8.150 -1.586 3.203 181 HA SER 25 HA SER 25 -9.154 -3.929 1.864 182 1HB SER 25 2HB SER 25 -9.117 -1.321 1.249 183 2HB SER 25 3HB SER 25 -7.689 -1.797 0.340 184 HG SER 25 HG SER 25 -9.098 -3.377 -0.658 185 H LEU 26 H LEU 26 -5.959 -2.884 2.910 186 HA LEU 26 HA LEU 26 -4.617 -4.952 1.290 187 1HB LEU 26 2HB LEU 26 -3.726 -2.891 3.299 188 2HB LEU 26 3HB LEU 26 -2.763 -4.329 3.068 189 HG LEU 26 HG LEU 26 -1.810 -2.746 1.746 190 1HD1 LEU 26 1HD1 LEU 26 -1.778 -3.547 -0.478 191 2HD1 LEU 26 2HD1 LEU 26 -2.046 -4.932 0.585 192 3HD1 LEU 26 3HD1 LEU 26 -3.400 -4.226 -0.349 193 1HD2 LEU 26 1HD2 LEU 26 -3.570 -1.127 1.618 194 2HD2 LEU 26 2HD2 LEU 26 -2.968 -1.422 -0.019 195 3HD2 LEU 26 3HD2 LEU 26 -4.518 -2.133 0.494 196 H THR 27 H THR 27 -5.275 -4.431 4.857 197 HA THR 27 HA THR 27 -4.235 -6.976 5.584 198 HB THR 27 HB THR 27 -5.948 -6.534 7.562 199 HG1 THR 27 1HG THR 27 -5.598 -3.868 7.134 200 1HG2 THR 27 1HG2 THR 27 -3.486 -6.443 7.756 201 2HG2 THR 27 2HG2 THR 27 -3.473 -4.833 6.999 202 3HG2 THR 27 3HG2 THR 27 -4.221 -5.063 8.592 203 H LYS 28 H LYS 28 -7.416 -6.038 4.435 204 HA LYS 28 HA LYS 28 -8.961 -8.284 4.504 205 1HB LYS 28 2HB LYS 28 -9.770 -6.440 3.322 206 2HB LYS 28 3HB LYS 28 -8.265 -6.253 2.423 207 1HG LYS 28 2HG LYS 28 -9.959 -6.849 0.917 208 2HG LYS 28 3HG LYS 28 -8.756 -8.123 0.992 209 1HD LYS 28 2HD LYS 28 -10.325 -9.352 2.634 210 2HD LYS 28 3HD LYS 28 -11.521 -8.085 2.322 211 1HE LYS 28 2HE LYS 28 -11.526 -8.679 -0.095 212 2HE LYS 28 3HE LYS 28 -10.255 -9.883 0.185 213 1HZ LYS 28 1HZ LYS 28 -12.405 -10.897 0.072 214 2HZ LYS 28 2HZ LYS 28 -11.772 -11.096 1.576 215 3HZ LYS 28 3HZ LYS 28 -12.968 -9.990 1.322 216 H HIS 29 H HIS 29 -6.020 -7.937 2.327 217 HA HIS 29 HA HIS 29 -6.667 -10.668 1.327 218 1HB HIS 29 2HB HIS 29 -5.420 -10.232 -0.570 219 2HB HIS 29 3HB HIS 29 -6.482 -8.845 -0.315 220 HD1 HIS 29 1HD HIS 29 -2.784 -9.855 -0.128 221 HD2 HIS 29 2HD HIS 29 -5.325 -6.513 -0.465 222 HE1 HIS 29 1HE HIS 29 -1.335 -7.901 -0.905 223 H ARG 30 H ARG 30 -5.265 -12.354 1.474 224 HA ARG 30 HA ARG 30 -3.222 -12.306 3.541 225 1HB ARG 30 2HB ARG 30 -3.909 -14.383 1.412 226 2HB ARG 30 3HB ARG 30 -2.779 -14.628 2.754 227 1HG ARG 30 2HG ARG 30 -4.596 -14.170 4.384 228 2HG ARG 30 3HG ARG 30 -5.752 -14.013 3.047 229 1HD ARG 30 2HD ARG 30 -5.266 -16.329 2.338 230 2HD ARG 30 3HD ARG 30 -4.090 -16.490 3.671 231 HE ARG 30 HE ARG 30 -6.562 -15.668 4.775 232 1HH1 ARG 30 2HH2 ARG 30 -5.169 -18.479 3.177 233 2HH1 ARG 30 1HH2 ARG 30 -6.191 -19.648 3.954 234 1HH2 ARG 30 2HH1 ARG 30 -7.950 -17.185 5.844 235 2HH2 ARG 30 1HH1 ARG 30 -7.818 -18.880 5.513 236 H GLY 31 H GLY 31 -0.945 -13.313 2.814 237 1HA GLY 31 2HA GLY 31 0.965 -13.091 1.494 238 2HA GLY 31 1HA GLY 31 0.068 -12.171 0.284 239 H ILE 32 H ILE 32 -1.063 -10.116 1.760 240 HA ILE 32 HA ILE 32 1.031 -8.475 2.799 241 HB ILE 32 HB ILE 32 -1.746 -8.191 2.217 242 1HG1 ILE 32 2HG1 ILE 32 -0.017 -6.600 1.574 243 2HG1 ILE 32 3HG1 ILE 32 -1.297 -5.825 2.495 244 1HG2 ILE 32 1HG2 ILE 32 -2.486 -8.579 4.454 245 2HG2 ILE 32 2HG2 ILE 32 -1.246 -7.542 5.160 246 3HG2 ILE 32 3HG2 ILE 32 -2.492 -6.827 4.156 247 1HD1 ILE 32 1HD1 ILE 32 0.384 -6.391 4.541 248 2HD1 ILE 32 2HD1 ILE 32 1.530 -6.267 3.210 249 3HD1 ILE 32 3HD1 ILE 32 0.453 -4.905 3.602 250 H LEU 33 H LEU 33 1.707 -8.236 4.902 251 HA LEU 33 HA LEU 33 0.756 -10.180 6.964 252 1HB LEU 33 2HB LEU 33 3.402 -8.689 6.854 253 2HB LEU 33 3HB LEU 33 2.925 -9.942 7.993 254 HG LEU 33 HG LEU 33 3.290 -10.380 4.984 255 1HD1 LEU 33 1HD1 LEU 33 5.403 -9.796 6.070 256 2HD1 LEU 33 2HD1 LEU 33 5.143 -11.059 7.296 257 3HD1 LEU 33 3HD1 LEU 33 5.380 -11.501 5.589 258 1HD2 LEU 33 1HD2 LEU 33 1.734 -12.018 5.961 259 2HD2 LEU 33 2HD2 LEU 33 3.285 -12.782 5.597 260 3HD2 LEU 33 3HD2 LEU 33 2.886 -12.354 7.274 261 H TYR 34 H TYR 34 1.800 -6.777 6.315 262 HA TYR 34 HA TYR 34 -0.224 -5.788 8.177 263 1HB TYR 34 2HB TYR 34 1.654 -6.304 9.683 264 2HB TYR 34 3HB TYR 34 2.763 -5.418 8.667 265 HD1 TYR 34 HD1 TYR 34 -0.293 -5.010 10.800 266 HD2 TYR 34 HD2 TYR 34 3.087 -3.075 8.951 267 HE1 TYR 34 HE1 TYR 34 -0.849 -2.895 11.979 268 HE2 TYR 34 HE2 TYR 34 2.558 -0.991 10.163 269 HH TYR 34 HH TYR 34 0.781 0.133 11.223 270 H CYS 35 H CYS 35 -0.471 -3.395 7.961 271 HA CYS 35 HA CYS 35 0.824 -2.211 5.556 272 1HB CYS 35 2HB CYS 35 -1.377 -3.169 4.823 273 2HB CYS 35 3HB CYS 35 -2.186 -2.263 6.115 274 HG CYS 35 HG CYS 35 -2.575 -1.229 3.795 275 H SER 36 H SER 36 1.083 0.045 5.777 276 HA SER 36 HA SER 36 -0.695 1.442 7.592 277 1HB SER 36 2HB SER 36 2.286 1.487 8.161 278 2HB SER 36 3HB SER 36 1.163 2.736 8.718 279 HG SER 36 HG SER 36 0.336 0.166 9.230 280 H VAL 37 H VAL 37 -1.423 2.996 6.312 281 HA VAL 37 HA VAL 37 0.449 4.375 4.487 282 HB VAL 37 HB VAL 37 -1.541 5.123 3.316 283 1HG1 VAL 37 1HG1 VAL 37 -0.697 2.593 3.080 284 2HG1 VAL 37 2HG1 VAL 37 -2.238 2.224 3.839 285 3HG1 VAL 37 3HG1 VAL 37 -2.201 3.157 2.329 286 1HG2 VAL 37 1HG2 VAL 37 -3.151 3.604 5.439 287 2HG2 VAL 37 2HG2 VAL 37 -3.073 5.378 5.230 288 3HG2 VAL 37 3HG2 VAL 37 -3.785 4.354 3.969 289 H ALA 38 H ALA 38 0.394 6.705 4.408 290 HA ALA 38 HA ALA 38 -0.731 8.055 6.788 291 1HB ALA 38 1HB ALA 38 2.232 8.164 6.130 292 2HB ALA 38 2HB ALA 38 1.354 9.135 7.341 293 3HB ALA 38 3HB ALA 38 1.498 7.373 7.550 294 H LEU 39 H LEU 39 -1.382 10.006 6.389 295 HA LEU 39 HA LEU 39 -1.575 10.995 3.688 296 1HB LEU 39 2HB LEU 39 -2.190 12.374 6.337 297 2HB LEU 39 3HB LEU 39 -2.677 12.946 4.739 298 HG LEU 39 HG LEU 39 -3.608 10.361 6.060 299 1HD1 LEU 39 1HD1 LEU 39 -5.763 11.519 6.252 300 2HD1 LEU 39 2HD1 LEU 39 -4.500 12.414 7.110 301 3HD1 LEU 39 3HD1 LEU 39 -5.066 12.981 5.524 302 1HD2 LEU 39 1HD2 LEU 39 -3.669 9.994 3.683 303 2HD2 LEU 39 2HD2 LEU 39 -5.316 10.414 4.155 304 3HD2 LEU 39 3HD2 LEU 39 -4.297 11.632 3.371 305 H ALA 40 H ALA 40 0.281 12.030 6.568 306 HA ALA 40 HA ALA 40 1.173 14.484 5.595 307 1HB ALA 40 1HB ALA 40 2.923 14.320 7.330 308 2HB ALA 40 2HB ALA 40 1.347 13.789 7.947 309 3HB ALA 40 3HB ALA 40 2.585 12.586 7.523 310 H THR 41 H THR 41 2.657 11.275 5.242 311 HA THR 41 HA THR 41 4.826 12.400 3.529 312 HB THR 41 HB THR 41 4.462 9.577 4.576 313 HG1 THR 41 1HG THR 41 4.674 11.363 6.182 314 1HG2 THR 41 1HG2 THR 41 6.178 9.720 2.770 315 2HG2 THR 41 2HG2 THR 41 6.883 11.153 3.540 316 3HG2 THR 41 3HG2 THR 41 6.997 9.582 4.337 317 H ASN 42 H ASN 42 1.666 11.476 3.109 318 HA ASN 42 HA ASN 42 0.396 10.611 1.571 319 1HB ASN 42 2HB ASN 42 1.703 12.647 0.539 320 2HB ASN 42 3HB ASN 42 2.429 11.435 -0.522 321 1HD2 ASN 42 1HD2 ASN 42 0.237 9.738 -0.876 322 2HD2 ASN 42 2HD2 ASN 42 -1.060 10.579 -1.693 323 H LYS 43 H LYS 43 1.936 8.636 2.747 324 HA LYS 43 HA LYS 43 3.084 6.993 0.523 325 1HB LYS 43 2HB LYS 43 4.582 7.985 2.406 326 2HB LYS 43 3HB LYS 43 3.854 6.734 3.431 327 1HG LYS 43 2HG LYS 43 4.578 5.075 1.543 328 2HG LYS 43 3HG LYS 43 5.520 6.409 0.891 329 1HD LYS 43 2HD LYS 43 5.776 5.039 3.614 330 2HD LYS 43 3HD LYS 43 6.822 4.862 2.210 331 1HE LYS 43 2HE LYS 43 7.375 7.358 2.419 332 2HE LYS 43 3HE LYS 43 6.513 7.307 3.972 333 1HZ LYS 43 1HZ LYS 43 8.934 5.775 3.210 334 2HZ LYS 43 2HZ LYS 43 8.820 6.894 4.430 335 3HZ LYS 43 3HZ LYS 43 8.106 5.381 4.479 336 H ALA 44 H ALA 44 2.747 4.760 0.518 337 HA ALA 44 HA ALA 44 1.161 3.569 2.719 338 1HB ALA 44 1HB ALA 44 1.228 2.668 -0.185 339 2HB ALA 44 2HB ALA 44 0.401 1.840 1.139 340 3HB ALA 44 3HB ALA 44 -0.163 3.441 0.605 341 H HIS 45 H HIS 45 2.477 2.345 3.975 342 HA HIS 45 HA HIS 45 4.703 0.939 2.594 343 1HB HIS 45 2HB HIS 45 5.935 0.903 4.381 344 2HB HIS 45 3HB HIS 45 4.992 2.286 4.905 345 HD1 HIS 45 1HD HIS 45 4.904 1.916 7.449 346 HD2 HIS 45 2HD HIS 45 4.411 -1.629 5.237 347 HE1 HIS 45 1HE HIS 45 4.652 0.020 9.139 348 H ILE 46 H ILE 46 4.361 -1.083 2.093 349 HA ILE 46 HA ILE 46 2.170 -2.631 3.428 350 HB ILE 46 HB ILE 46 3.408 -2.839 0.696 351 1HG1 ILE 46 2HG1 ILE 46 0.737 -2.420 0.212 352 2HG1 ILE 46 3HG1 ILE 46 0.889 -1.512 1.707 353 1HG2 ILE 46 1HG2 ILE 46 1.922 -4.558 0.137 354 2HG2 ILE 46 2HG2 ILE 46 2.651 -5.015 1.670 355 3HG2 ILE 46 3HG2 ILE 46 0.987 -4.347 1.606 356 1HD1 ILE 46 1HD1 ILE 46 2.608 -1.108 -0.794 357 2HD1 ILE 46 2HD1 ILE 46 1.183 -0.142 -0.366 358 3HD1 ILE 46 3HD1 ILE 46 2.624 -0.083 0.653 359 H LYS 47 H LYS 47 2.932 -4.096 4.695 360 HA LYS 47 HA LYS 47 5.707 -5.239 4.544 361 1HB LYS 47 2HB LYS 47 3.695 -4.848 6.735 362 2HB LYS 47 3HB LYS 47 4.768 -6.229 6.823 363 1HG LYS 47 2HG LYS 47 5.998 -3.525 6.318 364 2HG LYS 47 3HG LYS 47 5.293 -3.834 7.909 365 1HD LYS 47 2HD LYS 47 6.610 -5.968 8.084 366 2HD LYS 47 3HD LYS 47 7.415 -5.555 6.566 367 1HE LYS 47 2HE LYS 47 8.228 -3.415 7.686 368 2HE LYS 47 3HE LYS 47 7.475 -3.956 9.188 369 1HZ LYS 47 1HZ LYS 47 9.885 -4.503 8.981 370 2HZ LYS 47 2HZ LYS 47 8.936 -5.835 9.219 371 3HZ LYS 47 3HZ LYS 47 9.507 -5.539 7.748 372 H TYR 48 H TYR 48 5.416 -6.795 2.928 373 HA TYR 48 HA TYR 48 3.206 -8.780 3.246 374 1HB TYR 48 2HB TYR 48 2.849 -8.847 0.900 375 2HB TYR 48 3HB TYR 48 2.690 -7.175 1.372 376 HD1 TYR 48 HD1 TYR 48 3.936 -9.243 -1.116 377 HD2 TYR 48 HD2 TYR 48 5.125 -5.806 1.192 378 HE1 TYR 48 HE1 TYR 48 5.585 -8.623 -2.839 379 HE2 TYR 48 HE2 TYR 48 7.138 -5.580 -0.229 380 HH TYR 48 HH TYR 48 7.592 -7.489 -3.199 381 H ASP 49 H ASP 49 3.752 -10.893 2.056 382 HA ASP 49 HA ASP 49 6.628 -11.480 2.373 383 1HB ASP 49 2HB ASP 49 5.120 -13.086 3.266 384 2HB ASP 49 3HB ASP 49 4.268 -13.221 1.726 385 HA PRO 50 HA PRO 50 6.745 -10.362 -2.042 386 1HB PRO 50 2HB PRO 50 9.441 -10.458 -2.469 387 2HB PRO 50 3HB PRO 50 8.666 -9.141 -1.540 388 1HG PRO 50 2HG PRO 50 9.967 -11.642 -0.429 389 2HG PRO 50 3HG PRO 50 10.268 -9.946 0.058 390 1HD PRO 50 2HD PRO 50 8.569 -11.523 1.428 391 2HD PRO 50 3HD PRO 50 8.151 -9.803 1.139 392 H GLU 51 H GLU 51 7.706 -13.421 -0.593 393 HA GLU 51 HA GLU 51 8.688 -14.581 -3.050 394 1HB GLU 51 2HB GLU 51 9.198 -15.290 -0.693 395 2HB GLU 51 3HB GLU 51 7.560 -15.977 -0.597 396 1HG GLU 51 2HG GLU 51 8.106 -17.527 -2.442 397 2HG GLU 51 3HG GLU 51 9.699 -16.773 -2.626 398 H ILE 52 H ILE 52 5.537 -14.265 -1.529 399 HA ILE 52 HA ILE 52 4.359 -16.275 -3.358 400 HB ILE 52 HB ILE 52 2.424 -16.185 -1.761 401 1HG1 ILE 52 2HG1 ILE 52 4.326 -14.536 -0.078 402 2HG1 ILE 52 3HG1 ILE 52 2.736 -14.048 -0.650 403 1HG2 ILE 52 1HG2 ILE 52 3.534 -17.728 -0.259 404 2HG2 ILE 52 2HG2 ILE 52 4.289 -17.897 -1.833 405 3HG2 ILE 52 3HG2 ILE 52 5.114 -16.971 -0.564 406 1HD1 ILE 52 1HD1 ILE 52 2.520 -14.706 1.657 407 2HD1 ILE 52 2HD1 ILE 52 1.725 -15.942 0.665 408 3HD1 ILE 52 3HD1 ILE 52 3.333 -16.237 1.377 409 H ILE 53 H ILE 53 3.337 -13.065 -2.209 410 HA ILE 53 HA ILE 53 1.195 -13.204 -4.222 411 HB ILE 53 HB ILE 53 0.632 -12.627 -1.982 412 1HG1 ILE 53 2HG1 ILE 53 0.184 -10.086 -3.553 413 2HG1 ILE 53 3HG1 ILE 53 -0.438 -11.619 -4.164 414 1HG2 ILE 53 1HG2 ILE 53 1.179 -10.468 -0.935 415 2HG2 ILE 53 2HG2 ILE 53 2.661 -11.369 -1.250 416 3HG2 ILE 53 3HG2 ILE 53 2.178 -10.019 -2.310 417 1HD1 ILE 53 1HD1 ILE 53 -1.059 -10.413 -1.437 418 2HD1 ILE 53 2HD1 ILE 53 -2.162 -10.499 -2.823 419 3HD1 ILE 53 3HD1 ILE 53 -1.653 -11.989 -2.012 420 H GLY 54 H GLY 54 3.811 -11.005 -3.408 421 1HA GLY 54 2HA GLY 54 5.322 -10.096 -4.899 422 2HA GLY 54 1HA GLY 54 4.251 -10.395 -6.273 423 HA PRO 55 HA PRO 55 3.949 -5.980 -4.349 424 1HB PRO 55 2HB PRO 55 5.636 -4.506 -5.940 425 2HB PRO 55 3HB PRO 55 6.149 -5.386 -4.474 426 1HG PRO 55 2HG PRO 55 6.357 -6.332 -7.342 427 2HG PRO 55 3HG PRO 55 7.634 -6.339 -6.091 428 1HD PRO 55 2HD PRO 55 6.151 -8.570 -6.618 429 2HD PRO 55 3HD PRO 55 6.604 -8.172 -4.943 430 H ARG 56 H ARG 56 4.018 -7.095 -7.721 431 HA ARG 56 HA ARG 56 2.596 -5.036 -9.001 432 1HB ARG 56 2HB ARG 56 2.594 -8.058 -9.386 433 2HB ARG 56 3HB ARG 56 1.676 -6.980 -10.424 434 1HG ARG 56 2HG ARG 56 4.415 -5.979 -10.184 435 2HG ARG 56 3HG ARG 56 4.427 -7.686 -10.631 436 1HD ARG 56 2HD ARG 56 4.368 -6.360 -12.679 437 2HD ARG 56 3HD ARG 56 2.879 -7.265 -12.493 438 HE ARG 56 HE ARG 56 1.649 -5.326 -12.314 439 1HH1 ARG 56 2HH2 ARG 56 5.059 -4.498 -11.937 440 2HH1 ARG 56 1HH2 ARG 56 4.806 -2.784 -12.068 441 1HH2 ARG 56 2HH1 ARG 56 1.273 -3.178 -12.393 442 2HH2 ARG 56 1HH1 ARG 56 2.539 -1.971 -12.324 443 H ASP 57 H ASP 57 1.288 -7.852 -7.204 444 HA ASP 57 HA ASP 57 -1.458 -7.449 -7.637 445 1HB ASP 57 2HB ASP 57 -0.637 -9.470 -6.599 446 2HB ASP 57 3HB ASP 57 0.112 -8.557 -5.280 447 H ILE 58 H ILE 58 0.538 -6.321 -4.919 448 HA ILE 58 HA ILE 58 -1.371 -4.693 -3.615 449 HB ILE 58 HB ILE 58 1.657 -4.724 -3.778 450 1HG1 ILE 58 2HG1 ILE 58 0.131 -5.315 -1.275 451 2HG1 ILE 58 3HG1 ILE 58 -0.105 -6.462 -2.589 452 1HG2 ILE 58 1HG2 ILE 58 1.148 -2.421 -3.209 453 2HG2 ILE 58 2HG2 ILE 58 -0.018 -2.945 -1.978 454 3HG2 ILE 58 3HG2 ILE 58 1.722 -3.276 -1.784 455 1HD1 ILE 58 1HD1 ILE 58 2.666 -5.687 -1.623 456 2HD1 ILE 58 2HD1 ILE 58 1.737 -7.107 -1.074 457 3HD1 ILE 58 3HD1 ILE 58 2.216 -6.958 -2.773 458 H ILE 59 H ILE 59 1.100 -3.656 -6.000 459 HA ILE 59 HA ILE 59 0.280 -0.940 -6.031 460 HB ILE 59 HB ILE 59 1.693 -2.704 -8.036 461 1HG1 ILE 59 2HG1 ILE 59 2.742 -0.355 -6.441 462 2HG1 ILE 59 3HG1 ILE 59 2.737 -2.006 -5.811 463 1HG2 ILE 59 1HG2 ILE 59 0.536 -0.950 -9.359 464 2HG2 ILE 59 2HG2 ILE 59 1.225 0.291 -8.290 465 3HG2 ILE 59 3HG2 ILE 59 2.274 -0.684 -9.335 466 1HD1 ILE 59 1HD1 ILE 59 4.905 -1.552 -6.733 467 2HD1 ILE 59 2HD1 ILE 59 4.097 -2.756 -7.753 468 3HD1 ILE 59 3HD1 ILE 59 4.223 -1.064 -8.291 469 H HIS 60 H HIS 60 -0.798 -3.641 -8.185 470 HA HIS 60 HA HIS 60 -2.719 -2.046 -9.551 471 1HB HIS 60 2HB HIS 60 -2.415 -5.034 -9.226 472 2HB HIS 60 3HB HIS 60 -3.737 -4.298 -10.140 473 HD1 HIS 60 1HD HIS 60 -2.720 -2.286 -12.017 474 HD2 HIS 60 2HD HIS 60 -0.328 -5.541 -10.787 475 HE1 HIS 60 1HE HIS 60 -0.866 -2.518 -13.729 476 H THR 61 H THR 61 -2.973 -3.885 -6.497 477 HA THR 61 HA THR 61 -5.804 -3.689 -6.251 478 HB THR 61 HB THR 61 -3.660 -3.844 -4.091 479 HG1 THR 61 1HG THR 61 -3.738 -5.654 -5.410 480 1HG2 THR 61 1HG2 THR 61 -6.674 -4.259 -3.917 481 2HG2 THR 61 2HG2 THR 61 -5.495 -4.689 -2.662 482 3HG2 THR 61 3HG2 THR 61 -5.742 -2.988 -3.087 483 H ILE 62 H ILE 62 -3.186 -1.464 -5.139 484 HA ILE 62 HA ILE 62 -5.028 0.467 -4.055 485 HB ILE 62 HB ILE 62 -2.119 0.598 -4.862 486 1HG1 ILE 62 2HG1 ILE 62 -3.568 0.300 -2.170 487 2HG1 ILE 62 3HG1 ILE 62 -2.716 -0.992 -3.029 488 1HG2 ILE 62 1HG2 ILE 62 -1.929 2.667 -3.637 489 2HG2 ILE 62 2HG2 ILE 62 -3.181 2.896 -4.836 490 3HG2 ILE 62 3HG2 ILE 62 -3.635 2.602 -3.144 491 1HD1 ILE 62 1HD1 ILE 62 -1.202 -0.209 -1.407 492 2HD1 ILE 62 2HD1 ILE 62 -0.665 0.447 -2.978 493 3HD1 ILE 62 3HD1 ILE 62 -1.524 1.493 -1.811 494 H GLU 63 H GLU 63 -3.354 0.215 -7.211 495 HA GLU 63 HA GLU 63 -4.197 2.536 -8.515 496 1HB GLU 63 2HB GLU 63 -2.600 0.686 -9.225 497 2HB GLU 63 3HB GLU 63 -4.022 -0.318 -9.532 498 1HG GLU 63 2HG GLU 63 -4.766 1.244 -11.228 499 2HG GLU 63 3HG GLU 63 -3.271 2.192 -11.029 500 H SER 64 H SER 64 -5.782 -0.600 -8.041 501 HA SER 64 HA SER 64 -8.187 0.026 -9.511 502 1HB SER 64 2HB SER 64 -7.318 -2.229 -9.251 503 2HB SER 64 3HB SER 64 -7.648 -2.191 -7.504 504 HG SER 64 HG SER 64 -9.311 -3.203 -8.773 505 H LEU 65 H LEU 65 -7.341 0.000 -6.050 506 HA LEU 65 HA LEU 65 -9.783 0.675 -4.870 507 1HB LEU 65 2HB LEU 65 -7.296 0.262 -3.923 508 2HB LEU 65 3HB LEU 65 -7.234 2.018 -3.943 509 HG LEU 65 HG LEU 65 -7.844 1.375 -1.783 510 1HD1 LEU 65 1HD1 LEU 65 -10.560 1.963 -3.022 511 2HD1 LEU 65 2HD1 LEU 65 -9.991 2.361 -1.391 512 3HD1 LEU 65 3HD1 LEU 65 -9.303 3.194 -2.796 513 1HD2 LEU 65 1HD2 LEU 65 -9.565 -0.211 -1.213 514 2HD2 LEU 65 2HD2 LEU 65 -10.000 -0.463 -2.912 515 3HD2 LEU 65 3HD2 LEU 65 -8.409 -0.975 -2.307 516 H GLY 66 H GLY 66 -7.241 2.789 -6.179 517 1HA GLY 66 2HA GLY 66 -8.056 4.369 -7.904 518 2HA GLY 66 1HA GLY 66 -9.345 4.876 -6.807 519 H PHE 67 H PHE 67 -5.856 4.241 -6.345 520 HA PHE 67 HA PHE 67 -5.364 7.113 -5.817 521 1HB PHE 67 2HB PHE 67 -4.120 4.860 -4.206 522 2HB PHE 67 3HB PHE 67 -3.906 6.587 -3.962 523 HD1 PHE 67 1HD PHE 67 -6.378 7.838 -3.790 524 HD2 PHE 67 2HD PHE 67 -5.599 3.752 -2.723 525 HE1 PHE 67 1HE PHE 67 -8.320 7.872 -2.266 526 HE2 PHE 67 2HE PHE 67 -7.535 3.794 -1.178 527 HZ PHE 67 HZ PHE 67 -8.834 5.874 -0.865 528 H GLU 68 H GLU 68 -2.941 7.433 -6.048 529 HA GLU 68 HA GLU 68 -2.233 6.121 -8.607 530 1HB GLU 68 2HB GLU 68 -1.355 8.736 -7.366 531 2HB GLU 68 3HB GLU 68 -1.094 8.237 -9.032 532 1HG GLU 68 2HG GLU 68 -3.424 8.419 -9.561 533 2HG GLU 68 3HG GLU 68 -3.916 8.527 -7.868 534 HA PRO 69 HA PRO 69 0.992 4.715 -5.553 535 1HB PRO 69 2HB PRO 69 1.340 2.091 -6.329 536 2HB PRO 69 3HB PRO 69 0.041 2.644 -5.229 537 1HG PRO 69 2HG PRO 69 -0.145 2.168 -8.210 538 2HG PRO 69 3HG PRO 69 -1.240 1.593 -6.916 539 1HD PRO 69 2HD PRO 69 -1.815 3.821 -8.366 540 2HD PRO 69 3HD PRO 69 -2.109 3.761 -6.598 541 H SER 70 H SER 70 3.119 5.012 -5.796 542 HA SER 70 HA SER 70 4.505 4.243 -8.299 543 1HB SER 70 2HB SER 70 5.575 6.512 -8.319 544 2HB SER 70 3HB SER 70 3.839 6.523 -8.669 545 HG SER 70 HG SER 70 3.631 6.962 -6.281 546 H LEU 71 H LEU 71 6.436 3.301 -7.792 547 HA LEU 71 HA LEU 71 6.992 2.850 -4.974 548 1HB LEU 71 2HB LEU 71 8.672 1.300 -5.744 549 2HB LEU 71 3HB LEU 71 7.121 1.017 -6.513 550 HG LEU 71 HG LEU 71 8.848 2.838 -8.102 551 1HD1 LEU 71 1HD1 LEU 71 10.430 1.100 -8.834 552 2HD1 LEU 71 2HD1 LEU 71 10.639 1.474 -7.115 553 3HD1 LEU 71 3HD1 LEU 71 9.795 -0.014 -7.603 554 1HD2 LEU 71 1HD2 LEU 71 7.549 0.153 -8.753 555 2HD2 LEU 71 2HD2 LEU 71 6.771 1.730 -8.973 556 3HD2 LEU 71 3HD2 LEU 71 8.210 1.318 -9.917 557 H VAL 72 H VAL 72 7.354 5.611 -5.556 558 HA VAL 72 HA VAL 72 10.265 6.073 -5.804 559 HB VAL 72 HB VAL 72 9.678 8.456 -5.740 560 1HG1 VAL 72 1HG1 VAL 72 9.928 7.208 -7.855 561 2HG1 VAL 72 2HG1 VAL 72 8.196 6.815 -7.839 562 3HG1 VAL 72 3HG1 VAL 72 8.727 8.501 -8.000 563 1HG2 VAL 72 1HG2 VAL 72 7.354 9.177 -6.106 564 2HG2 VAL 72 2HG2 VAL 72 6.770 7.530 -5.836 565 3HG2 VAL 72 3HG2 VAL 72 7.529 8.443 -4.514 566 H LYS 73 H LYS 73 10.351 4.591 -3.898 567 HA LYS 73 HA LYS 73 9.895 5.428 -1.253 568 1HB LYS 73 2HB LYS 73 11.868 4.068 -0.674 569 2HB LYS 73 3HB LYS 73 10.765 3.218 -1.765 570 1HG LYS 73 2HG LYS 73 12.209 3.682 -3.690 571 2HG LYS 73 3HG LYS 73 13.307 4.649 -2.722 572 1HD LYS 73 2HD LYS 73 12.736 1.675 -2.360 573 2HD LYS 73 3HD LYS 73 14.129 2.362 -3.199 574 1HE LYS 73 2HE LYS 73 13.538 2.605 -0.205 575 2HE LYS 73 3HE LYS 73 14.789 1.637 -0.991 576 1HZ LYS 73 1HZ LYS 73 15.690 3.745 -1.871 577 2HZ LYS 73 2HZ LYS 73 14.676 4.581 -0.880 578 3HZ LYS 73 3HZ LYS 73 15.811 3.597 -0.244 579 H ILE 74 H ILE 74 11.187 6.616 0.261 580 HA ILE 74 HA ILE 74 12.766 8.806 -0.748 581 HB ILE 74 HB ILE 74 11.585 8.836 1.438 582 1HG1 ILE 74 2HG1 ILE 74 13.558 9.659 2.878 583 2HG1 ILE 74 3HG1 ILE 74 14.601 9.310 1.499 584 1HG2 ILE 74 1HG2 ILE 74 12.413 7.744 3.369 585 2HG2 ILE 74 2HG2 ILE 74 12.039 6.498 2.162 586 3HG2 ILE 74 3HG2 ILE 74 13.733 6.972 2.466 587 1HD1 ILE 74 1HD1 ILE 74 12.140 11.091 1.539 588 2HD1 ILE 74 2HD1 ILE 74 13.826 11.661 1.570 589 3HD1 ILE 74 3HD1 ILE 74 13.193 10.850 0.118 590 H GLU 75 H GLU 75 15.129 8.973 -0.858 591 HA GLU 75 HA GLU 75 16.834 6.830 -0.179 592 1HB GLU 75 2HB GLU 75 15.582 6.191 -2.462 593 2HB GLU 75 3HB GLU 75 16.614 7.430 -3.159 594 1HG GLU 75 2HG GLU 75 18.597 6.210 -2.637 595 2HG GLU 75 3HG GLU 75 17.768 5.155 -1.490 Start of MODEL 21 1 1H MET 1 H1 MET 1 11.189 -15.805 5.988 2 2H MET 1 H2 MET 1 11.554 -15.387 7.550 3 3H MET 1 H3 MET 1 11.328 -14.241 6.413 4 HA MET 1 HA MET 1 13.639 -14.389 6.773 5 1HB MET 1 2HB MET 1 13.234 -17.359 6.235 6 2HB MET 1 3HB MET 1 14.805 -16.548 6.177 7 1HG MET 1 2HG MET 1 14.543 -15.811 8.516 8 2HG MET 1 3HG MET 1 13.012 -16.701 8.625 9 1HE MET 1 1HE MET 1 15.500 -18.765 10.851 10 2HE MET 1 2HE MET 1 15.499 -17.000 10.630 11 3HE MET 1 3HE MET 1 13.957 -17.878 10.812 12 H GLY 2 H GLY 2 13.009 -12.954 5.076 13 1HA GLY 2 2HA GLY 2 14.235 -12.760 2.725 14 2HA GLY 2 1HA GLY 2 12.965 -13.930 2.281 15 H ASP 3 H ASP 3 10.759 -13.422 3.041 16 HA ASP 3 HA ASP 3 8.945 -12.166 3.502 17 1HB ASP 3 2HB ASP 3 10.827 -10.385 5.090 18 2HB ASP 3 3HB ASP 3 9.153 -10.846 5.469 19 H GLY 4 H GLY 4 8.805 -9.233 4.038 20 1HA GLY 4 2HA GLY 4 10.081 -7.776 1.964 21 2HA GLY 4 1HA GLY 4 8.478 -8.276 1.390 22 H VAL 5 H VAL 5 9.709 -5.595 2.174 23 HA VAL 5 HA VAL 5 7.176 -4.713 3.207 24 HB VAL 5 HB VAL 5 7.896 -3.148 4.755 25 1HG1 VAL 5 1HG1 VAL 5 9.946 -5.345 5.238 26 2HG1 VAL 5 2HG1 VAL 5 9.259 -4.229 6.429 27 3HG1 VAL 5 3HG1 VAL 5 8.225 -5.451 5.669 28 1HG2 VAL 5 1HG2 VAL 5 10.225 -2.418 5.107 29 2HG2 VAL 5 2HG2 VAL 5 10.709 -3.352 3.668 30 3HG2 VAL 5 3HG2 VAL 5 9.563 -1.989 3.531 31 H LEU 6 H LEU 6 6.687 -2.556 2.445 32 HA LEU 6 HA LEU 6 8.180 -1.722 0.041 33 1HB LEU 6 2HB LEU 6 6.750 -3.539 -0.715 34 2HB LEU 6 3HB LEU 6 5.341 -2.828 0.078 35 HG LEU 6 HG LEU 6 5.446 -0.915 -1.496 36 1HD1 LEU 6 1HD1 LEU 6 7.836 -0.828 -2.027 37 2HD1 LEU 6 2HD1 LEU 6 7.778 -2.466 -2.718 38 3HD1 LEU 6 3HD1 LEU 6 6.923 -1.129 -3.512 39 1HD2 LEU 6 1HD2 LEU 6 4.762 -2.222 -3.505 40 2HD2 LEU 6 2HD2 LEU 6 5.489 -3.679 -2.806 41 3HD2 LEU 6 3HD2 LEU 6 4.088 -2.920 -2.021 42 H GLU 7 H GLU 7 8.436 0.335 0.473 43 HA GLU 7 HA GLU 7 6.613 1.848 2.197 44 1HB GLU 7 2HB GLU 7 9.300 2.705 1.040 45 2HB GLU 7 3HB GLU 7 8.490 3.228 2.524 46 1HG GLU 7 2HG GLU 7 10.133 1.944 3.302 47 2HG GLU 7 3HG GLU 7 8.861 0.710 3.281 48 H LEU 8 H LEU 8 5.280 1.555 -0.173 49 HA LEU 8 HA LEU 8 6.474 3.167 -2.212 50 1HB LEU 8 2HB LEU 8 4.498 2.545 -3.622 51 2HB LEU 8 3HB LEU 8 5.241 1.175 -2.828 52 HG LEU 8 HG LEU 8 3.394 1.413 -0.999 53 1HD1 LEU 8 1HD1 LEU 8 2.447 3.578 -1.599 54 2HD1 LEU 8 2HD1 LEU 8 2.257 3.072 -3.276 55 3HD1 LEU 8 3HD1 LEU 8 1.252 2.349 -2.006 56 1HD2 LEU 8 1HD2 LEU 8 1.807 0.115 -2.408 57 2HD2 LEU 8 2HD2 LEU 8 2.753 0.558 -3.843 58 3HD2 LEU 8 3HD2 LEU 8 3.472 -0.444 -2.575 59 H VAL 9 H VAL 9 5.334 5.115 -3.331 60 HA VAL 9 HA VAL 9 4.103 6.822 -1.227 61 HB VAL 9 HB VAL 9 5.773 7.396 -3.658 62 1HG1 VAL 9 1HG1 VAL 9 5.227 9.780 -3.525 63 2HG1 VAL 9 2HG1 VAL 9 3.845 8.832 -4.072 64 3HG1 VAL 9 3HG1 VAL 9 3.906 9.436 -2.402 65 1HG2 VAL 9 1HG2 VAL 9 6.924 8.877 -2.039 66 2HG2 VAL 9 2HG2 VAL 9 5.694 8.520 -0.818 67 3HG2 VAL 9 3HG2 VAL 9 6.792 7.234 -1.379 68 H VAL 10 H VAL 10 2.023 7.383 -1.450 69 HA VAL 10 HA VAL 10 0.577 6.967 -4.024 70 HB VAL 10 HB VAL 10 -1.425 6.706 -2.213 71 1HG1 VAL 10 1HG1 VAL 10 -1.708 4.515 -2.910 72 2HG1 VAL 10 2HG1 VAL 10 -1.025 5.371 -4.302 73 3HG1 VAL 10 3HG1 VAL 10 0.002 4.301 -3.316 74 1HG2 VAL 10 1HG2 VAL 10 -0.925 5.006 -0.613 75 2HG2 VAL 10 2HG2 VAL 10 0.747 4.877 -1.183 76 3HG2 VAL 10 3HG2 VAL 10 0.226 6.337 -0.321 77 H ARG 11 H ARG 11 -0.213 8.983 -4.560 78 HA ARG 11 HA ARG 11 -1.228 10.711 -2.342 79 1HB ARG 11 2HB ARG 11 -1.218 12.610 -3.859 80 2HB ARG 11 3HB ARG 11 0.411 12.008 -3.530 81 1HG ARG 11 2HG ARG 11 0.520 10.912 -5.688 82 2HG ARG 11 3HG ARG 11 -1.176 11.316 -6.039 83 1HD ARG 11 2HD ARG 11 -0.625 13.719 -6.039 84 2HD ARG 11 3HD ARG 11 1.066 13.331 -5.605 85 HE ARG 11 HE ARG 11 0.304 11.864 -7.950 86 1HH1 ARG 11 2HH2 ARG 11 1.145 15.175 -7.103 87 2HH1 ARG 11 1HH2 ARG 11 1.964 15.477 -8.611 88 1HH2 ARG 11 2HH1 ARG 11 1.342 12.119 -9.710 89 2HH2 ARG 11 1HH1 ARG 11 2.063 13.639 -10.253 90 H GLY 12 H GLY 12 -3.254 11.833 -3.063 91 1HA GLY 12 2HA GLY 12 -5.306 11.699 -4.320 92 2HA GLY 12 1HA GLY 12 -5.067 9.972 -4.563 93 H MET 13 H MET 13 -4.029 10.280 -1.475 94 HA MET 13 HA MET 13 -6.488 9.470 -0.200 95 1HB MET 13 2HB MET 13 -3.741 10.259 0.826 96 2HB MET 13 3HB MET 13 -5.083 9.805 1.890 97 1HG MET 13 2HG MET 13 -5.239 7.621 0.985 98 2HG MET 13 3HG MET 13 -4.035 7.943 -0.263 99 1HE MET 13 1HE MET 13 -0.718 7.823 1.593 100 2HE MET 13 2HE MET 13 -1.599 7.644 0.057 101 3HE MET 13 3HE MET 13 -1.619 9.198 0.901 102 H THR 14 H THR 14 -7.781 11.327 -1.027 103 HA THR 14 HA THR 14 -7.353 13.967 0.145 104 HB THR 14 HB THR 14 -9.601 14.342 -1.006 105 HG1 THR 14 1HG THR 14 -9.891 12.405 -2.551 106 1HG2 THR 14 1HG2 THR 14 -8.681 14.199 -3.280 107 2HG2 THR 14 2HG2 THR 14 -7.445 14.784 -2.155 108 3HG2 THR 14 3HG2 THR 14 -7.400 13.106 -2.726 109 H CYS 15 H CYS 15 -10.221 11.919 0.190 110 HA CYS 15 HA CYS 15 -11.175 13.015 2.728 111 1HB CYS 15 2HB CYS 15 -12.150 10.722 0.968 112 2HB CYS 15 3HB CYS 15 -12.935 11.196 2.488 113 HG CYS 15 HG CYS 15 -12.284 13.130 -0.092 114 H ALA 16 H ALA 16 -10.674 12.290 4.725 115 HA ALA 16 HA ALA 16 -8.657 10.830 5.570 116 1HB ALA 16 1HB ALA 16 -10.220 11.950 7.115 117 2HB ALA 16 2HB ALA 16 -11.428 10.665 6.835 118 3HB ALA 16 3HB ALA 16 -9.901 10.275 7.636 119 H SER 17 H SER 17 -11.818 9.304 5.022 120 HA SER 17 HA SER 17 -11.439 6.723 5.765 121 1HB SER 17 2HB SER 17 -13.549 7.593 4.845 122 2HB SER 17 3HB SER 17 -12.839 7.640 3.217 123 HG SER 17 HG SER 17 -13.147 5.285 4.810 124 H CYS 18 H CYS 18 -10.173 8.171 2.757 125 HA CYS 18 HA CYS 18 -9.299 6.013 1.272 126 1HB CYS 18 2HB CYS 18 -7.801 8.602 1.844 127 2HB CYS 18 3HB CYS 18 -7.370 7.396 0.614 128 HG CYS 18 HG CYS 18 -10.161 9.098 0.854 129 H VAL 19 H VAL 19 -7.692 7.342 4.203 130 HA VAL 19 HA VAL 19 -5.382 5.763 4.204 131 HB VAL 19 HB VAL 19 -7.041 6.899 6.492 132 1HG1 VAL 19 1HG1 VAL 19 -5.572 5.105 7.382 133 2HG1 VAL 19 2HG1 VAL 19 -4.174 5.889 6.628 134 3HG1 VAL 19 3HG1 VAL 19 -5.069 6.712 7.908 135 1HG2 VAL 19 1HG2 VAL 19 -4.518 7.922 5.115 136 2HG2 VAL 19 2HG2 VAL 19 -6.146 8.607 4.931 137 3HG2 VAL 19 3HG2 VAL 19 -5.334 8.677 6.501 138 H HIS 20 H HIS 20 -8.395 5.183 6.100 139 HA HIS 20 HA HIS 20 -7.591 2.522 6.773 140 1HB HIS 20 2HB HIS 20 -9.558 2.174 7.851 141 2HB HIS 20 3HB HIS 20 -8.999 3.800 8.210 142 HD1 HIS 20 1HD HIS 20 -11.575 3.943 9.154 143 HD2 HIS 20 2HD HIS 20 -11.151 3.503 5.016 144 HE1 HIS 20 1HE HIS 20 -13.829 4.420 8.087 145 H LYS 21 H LYS 21 -9.108 3.850 3.986 146 HA LYS 21 HA LYS 21 -10.464 1.542 3.108 147 1HB LYS 21 2HB LYS 21 -10.350 4.088 2.200 148 2HB LYS 21 3HB LYS 21 -9.254 3.381 1.027 149 1HG LYS 21 2HG LYS 21 -12.123 2.560 1.617 150 2HG LYS 21 3HG LYS 21 -11.543 3.485 0.217 151 1HD LYS 21 2HD LYS 21 -10.082 1.502 -0.407 152 2HD LYS 21 3HD LYS 21 -10.903 0.554 0.837 153 1HE LYS 21 2HE LYS 21 -12.178 1.867 -1.616 154 2HE LYS 21 3HE LYS 21 -11.868 0.141 -1.388 155 1HZ LYS 21 1HZ LYS 21 -13.422 0.169 0.453 156 2HZ LYS 21 2HZ LYS 21 -13.734 1.767 0.208 157 3HZ LYS 21 3HZ LYS 21 -14.139 0.666 -0.940 158 H ILE 22 H ILE 22 -7.224 2.895 2.488 159 HA ILE 22 HA ILE 22 -6.281 0.842 0.698 160 HB ILE 22 HB ILE 22 -4.758 2.828 2.466 161 1HG1 ILE 22 2HG1 ILE 22 -5.051 2.892 -0.535 162 2HG1 ILE 22 3HG1 ILE 22 -6.271 3.642 0.509 163 1HG2 ILE 22 1HG2 ILE 22 -3.917 0.752 0.444 164 2HG2 ILE 22 2HG2 ILE 22 -2.940 2.208 0.643 165 3HG2 ILE 22 3HG2 ILE 22 -3.210 1.132 2.028 166 1HD1 ILE 22 1HD1 ILE 22 -4.622 5.280 -0.280 167 2HD1 ILE 22 2HD1 ILE 22 -4.673 5.132 1.483 168 3HD1 ILE 22 3HD1 ILE 22 -3.332 4.409 0.566 169 H GLU 23 H GLU 23 -5.650 1.575 4.136 170 HA GLU 23 HA GLU 23 -4.226 -0.704 4.848 171 1HB GLU 23 2HB GLU 23 -5.722 1.443 6.164 172 2HB GLU 23 3HB GLU 23 -5.887 -0.027 7.087 173 1HG GLU 23 2HG GLU 23 -3.506 -0.160 7.416 174 2HG GLU 23 3HG GLU 23 -3.172 0.888 6.020 175 H SER 24 H SER 24 -7.780 -0.331 5.090 176 HA SER 24 HA SER 24 -8.271 -2.993 6.010 177 1HB SER 24 2HB SER 24 -9.901 -1.159 6.230 178 2HB SER 24 3HB SER 24 -10.127 -1.136 4.469 179 HG SER 24 HG SER 24 -10.611 -3.381 6.146 180 H SER 25 H SER 25 -8.225 -1.552 2.727 181 HA SER 25 HA SER 25 -8.983 -3.908 1.340 182 1HB SER 25 2HB SER 25 -8.989 -1.641 0.403 183 2HB SER 25 3HB SER 25 -7.224 -1.624 0.365 184 HG SER 25 HG SER 25 -7.248 -3.163 -1.197 185 H LEU 26 H LEU 26 -5.876 -2.900 2.701 186 HA LEU 26 HA LEU 26 -4.369 -4.964 1.293 187 1HB LEU 26 2HB LEU 26 -3.640 -3.022 3.420 188 2HB LEU 26 3HB LEU 26 -2.544 -4.294 2.840 189 HG LEU 26 HG LEU 26 -3.959 -2.662 0.788 190 1HD1 LEU 26 1HD1 LEU 26 -1.463 -1.740 2.239 191 2HD1 LEU 26 2HD1 LEU 26 -2.226 -0.939 0.858 192 3HD1 LEU 26 3HD1 LEU 26 -3.079 -1.049 2.422 193 1HD2 LEU 26 1HD2 LEU 26 -2.493 -4.603 0.126 194 2HD2 LEU 26 2HD2 LEU 26 -1.977 -3.041 -0.521 195 3HD2 LEU 26 3HD2 LEU 26 -1.118 -3.749 0.859 196 H THR 27 H THR 27 -5.539 -4.472 4.684 197 HA THR 27 HA THR 27 -4.382 -6.913 5.678 198 HB THR 27 HB THR 27 -5.704 -6.281 7.718 199 HG1 THR 27 1HG THR 27 -6.673 -4.209 7.636 200 1HG2 THR 27 1HG2 THR 27 -3.929 -4.127 6.479 201 2HG2 THR 27 2HG2 THR 27 -4.417 -4.188 8.182 202 3HG2 THR 27 3HG2 THR 27 -3.412 -5.478 7.516 203 H LYS 28 H LYS 28 -5.349 -8.035 3.842 204 HA LYS 28 HA LYS 28 -7.544 -9.728 4.543 205 1HB LYS 28 2HB LYS 28 -9.260 -9.060 3.079 206 2HB LYS 28 3HB LYS 28 -8.742 -7.627 3.952 207 1HG LYS 28 2HG LYS 28 -8.978 -6.750 1.911 208 2HG LYS 28 3HG LYS 28 -7.250 -7.134 1.905 209 1HD LYS 28 2HD LYS 28 -7.528 -8.850 0.284 210 2HD LYS 28 3HD LYS 28 -9.158 -9.219 0.837 211 1HE LYS 28 2HE LYS 28 -9.258 -8.275 -1.390 212 2HE LYS 28 3HE LYS 28 -10.064 -7.218 -0.224 213 1HZ LYS 28 1HZ LYS 28 -7.356 -6.773 -1.365 214 2HZ LYS 28 2HZ LYS 28 -8.724 -5.921 -1.704 215 3HZ LYS 28 3HZ LYS 28 -8.025 -5.863 -0.220 216 H HIS 29 H HIS 29 -5.235 -8.585 2.016 217 HA HIS 29 HA HIS 29 -5.611 -10.745 0.218 218 1HB HIS 29 2HB HIS 29 -3.276 -8.895 0.823 219 2HB HIS 29 3HB HIS 29 -3.223 -10.078 -0.471 220 HD1 HIS 29 1HD HIS 29 -4.355 -9.477 -2.741 221 HD2 HIS 29 2HD HIS 29 -5.134 -6.896 0.472 222 HE1 HIS 29 1HE HIS 29 -5.539 -7.451 -3.727 223 H ARG 30 H ARG 30 -5.213 -11.732 3.115 224 HA ARG 30 HA ARG 30 -4.113 -13.239 4.330 225 1HB ARG 30 2HB ARG 30 -4.653 -14.675 2.336 226 2HB ARG 30 3HB ARG 30 -3.016 -14.390 1.734 227 1HG ARG 30 2HG ARG 30 -2.242 -15.234 4.104 228 2HG ARG 30 3HG ARG 30 -3.883 -15.875 4.233 229 1HD ARG 30 2HD ARG 30 -1.789 -16.460 2.101 230 2HD ARG 30 3HD ARG 30 -2.328 -17.572 3.379 231 HE ARG 30 HE ARG 30 -4.641 -16.905 1.991 232 1HH1 ARG 30 2HH2 ARG 30 -1.563 -18.423 1.202 233 2HH1 ARG 30 1HH2 ARG 30 -2.157 -19.334 -0.150 234 1HH2 ARG 30 2HH1 ARG 30 -5.491 -18.114 0.202 235 2HH2 ARG 30 1HH1 ARG 30 -4.462 -19.165 -0.713 236 H GLY 31 H GLY 31 -1.728 -12.633 1.697 237 1HA GLY 31 2HA GLY 31 0.477 -12.762 3.595 238 2HA GLY 31 1HA GLY 31 0.567 -12.515 1.840 239 H ILE 32 H ILE 32 -0.964 -10.683 4.481 240 HA ILE 32 HA ILE 32 0.872 -8.411 3.973 241 HB ILE 32 HB ILE 32 -1.981 -8.161 4.032 242 1HG1 ILE 32 2HG1 ILE 32 -1.520 -5.773 4.083 243 2HG1 ILE 32 3HG1 ILE 32 0.210 -6.076 4.306 244 1HG2 ILE 32 1HG2 ILE 32 -1.989 -8.297 6.498 245 2HG2 ILE 32 2HG2 ILE 32 -0.695 -7.067 6.585 246 3HG2 ILE 32 3HG2 ILE 32 -2.273 -6.640 5.964 247 1HD1 ILE 32 1HD1 ILE 32 0.148 -7.365 2.108 248 2HD1 ILE 32 2HD1 ILE 32 -1.573 -6.930 1.973 249 3HD1 ILE 32 3HD1 ILE 32 -0.327 -5.662 1.957 250 H LEU 33 H LEU 33 2.137 -8.051 5.655 251 HA LEU 33 HA LEU 33 1.872 -9.737 8.110 252 1HB LEU 33 2HB LEU 33 4.179 -8.036 7.138 253 2HB LEU 33 3HB LEU 33 4.195 -9.126 8.526 254 HG LEU 33 HG LEU 33 3.815 -9.977 5.605 255 1HD1 LEU 33 1HD1 LEU 33 6.065 -9.083 6.015 256 2HD1 LEU 33 2HD1 LEU 33 6.259 -10.181 7.400 257 3HD1 LEU 33 3HD1 LEU 33 6.099 -10.834 5.756 258 1HD2 LEU 33 1HD2 LEU 33 4.267 -12.259 6.494 259 2HD2 LEU 33 2HD2 LEU 33 4.206 -11.616 8.148 260 3HD2 LEU 33 3HD2 LEU 33 2.757 -11.589 7.112 261 H TYR 34 H TYR 34 2.001 -6.355 6.906 262 HA TYR 34 HA TYR 34 0.405 -5.386 9.063 263 1HB TYR 34 2HB TYR 34 2.526 -5.527 10.339 264 2HB TYR 34 3HB TYR 34 3.373 -4.686 9.052 265 HD1 TYR 34 HD1 TYR 34 0.563 -4.252 11.507 266 HD2 TYR 34 HD2 TYR 34 3.550 -2.326 9.072 267 HE1 TYR 34 HE1 TYR 34 -0.024 -2.067 12.512 268 HE2 TYR 34 HE2 TYR 34 3.006 -0.149 10.128 269 HH TYR 34 HH TYR 34 0.374 0.210 12.502 270 H CYS 35 H CYS 35 -0.051 -3.017 8.678 271 HA CYS 35 HA CYS 35 1.134 -1.814 6.297 272 1HB CYS 35 2HB CYS 35 -1.850 -2.437 6.521 273 2HB CYS 35 3HB CYS 35 -1.238 -1.081 5.567 274 HG CYS 35 HG CYS 35 -1.682 -2.798 3.914 275 H SER 36 H SER 36 0.939 0.444 6.298 276 HA SER 36 HA SER 36 -0.925 1.818 8.045 277 1HB SER 36 2HB SER 36 0.827 1.384 9.677 278 2HB SER 36 3HB SER 36 2.068 2.022 8.574 279 HG SER 36 HG SER 36 1.206 3.479 10.265 280 H VAL 37 H VAL 37 -1.703 3.311 6.455 281 HA VAL 37 HA VAL 37 0.403 4.612 4.792 282 HB VAL 37 HB VAL 37 -1.219 5.108 3.189 283 1HG1 VAL 37 1HG1 VAL 37 -0.580 2.583 3.482 284 2HG1 VAL 37 2HG1 VAL 37 -2.234 2.403 4.097 285 3HG1 VAL 37 3HG1 VAL 37 -1.957 3.043 2.464 286 1HG2 VAL 37 1HG2 VAL 37 -3.066 5.887 4.572 287 2HG2 VAL 37 2HG2 VAL 37 -3.617 4.621 3.464 288 3HG2 VAL 37 3HG2 VAL 37 -3.357 4.228 5.170 289 H ALA 38 H ALA 38 0.225 6.889 4.356 290 HA ALA 38 HA ALA 38 -1.289 8.512 6.304 291 1HB ALA 38 1HB ALA 38 0.697 9.816 6.915 292 2HB ALA 38 2HB ALA 38 0.761 8.149 7.544 293 3HB ALA 38 3HB ALA 38 1.732 8.596 6.121 294 H LEU 39 H LEU 39 -1.898 10.375 5.490 295 HA LEU 39 HA LEU 39 -1.624 10.653 2.615 296 1HB LEU 39 2HB LEU 39 -3.333 12.317 2.740 297 2HB LEU 39 3HB LEU 39 -3.811 10.811 3.505 298 HG LEU 39 HG LEU 39 -2.754 12.930 5.359 299 1HD1 LEU 39 1HD1 LEU 39 -4.926 14.095 5.371 300 2HD1 LEU 39 2HD1 LEU 39 -4.107 14.268 3.809 301 3HD1 LEU 39 3HD1 LEU 39 -5.458 13.126 3.979 302 1HD2 LEU 39 1HD2 LEU 39 -3.643 10.728 6.211 303 2HD2 LEU 39 2HD2 LEU 39 -4.584 12.115 6.772 304 3HD2 LEU 39 3HD2 LEU 39 -5.199 11.106 5.451 305 H ALA 40 H ALA 40 -0.612 12.607 5.436 306 HA ALA 40 HA ALA 40 0.048 14.951 3.982 307 1HB ALA 40 1HB ALA 40 -0.253 14.900 6.428 308 2HB ALA 40 2HB ALA 40 1.195 13.883 6.602 309 3HB ALA 40 3HB ALA 40 1.342 15.546 5.998 310 H THR 41 H THR 41 1.852 12.016 4.775 311 HA THR 41 HA THR 41 4.225 12.969 3.237 312 HB THR 41 HB THR 41 4.641 12.227 5.491 313 HG1 THR 41 1HG THR 41 5.536 10.663 3.328 314 1HG2 THR 41 1HG2 THR 41 3.268 9.665 4.666 315 2HG2 THR 41 2HG2 THR 41 4.385 9.768 6.043 316 3HG2 THR 41 3HG2 THR 41 2.903 10.730 6.040 317 H ASN 42 H ASN 42 1.353 11.538 2.555 318 HA ASN 42 HA ASN 42 0.568 10.094 1.038 319 1HB ASN 42 2HB ASN 42 2.064 10.677 -1.268 320 2HB ASN 42 3HB ASN 42 0.596 11.434 -0.688 321 1HD2 ASN 42 1HD2 ASN 42 0.960 13.218 1.034 322 2HD2 ASN 42 2HD2 ASN 42 2.274 14.327 0.693 323 H LYS 43 H LYS 43 1.781 8.564 2.626 324 HA LYS 43 HA LYS 43 3.741 6.814 1.153 325 1HB LYS 43 2HB LYS 43 4.707 8.137 3.016 326 2HB LYS 43 3HB LYS 43 3.439 7.536 4.088 327 1HG LYS 43 2HG LYS 43 5.502 6.433 4.566 328 2HG LYS 43 3HG LYS 43 4.302 5.278 4.008 329 1HD LYS 43 2HD LYS 43 6.527 4.808 3.129 330 2HD LYS 43 3HD LYS 43 5.395 5.128 1.819 331 1HE LYS 43 2HE LYS 43 6.311 7.338 1.430 332 2HE LYS 43 3HE LYS 43 7.265 7.282 2.925 333 1HZ LYS 43 1HZ LYS 43 8.604 6.750 0.880 334 2HZ LYS 43 2HZ LYS 43 8.601 5.564 1.979 335 3HZ LYS 43 3HZ LYS 43 7.665 5.433 0.659 336 H ALA 44 H ALA 44 3.290 4.638 1.142 337 HA ALA 44 HA ALA 44 1.399 3.587 3.194 338 1HB ALA 44 1HB ALA 44 0.772 1.787 1.656 339 2HB ALA 44 2HB ALA 44 0.287 3.365 1.002 340 3HB ALA 44 3HB ALA 44 1.728 2.534 0.369 341 H HIS 45 H HIS 45 2.704 2.725 4.722 342 HA HIS 45 HA HIS 45 5.160 1.266 3.966 343 1HB HIS 45 2HB HIS 45 5.405 2.650 5.857 344 2HB HIS 45 3HB HIS 45 3.797 2.290 6.462 345 HD1 HIS 45 1HD HIS 45 5.416 2.136 8.660 346 HD2 HIS 45 2HD HIS 45 5.063 -1.146 6.038 347 HE1 HIS 45 1HE HIS 45 5.897 0.062 9.999 348 H ILE 46 H ILE 46 4.556 -0.629 3.024 349 HA ILE 46 HA ILE 46 2.451 -2.283 4.351 350 HB ILE 46 HB ILE 46 3.624 -2.242 1.555 351 1HG1 ILE 46 2HG1 ILE 46 0.686 -2.184 2.067 352 2HG1 ILE 46 3HG1 ILE 46 1.553 -0.708 2.498 353 1HG2 ILE 46 1HG2 ILE 46 3.351 -4.562 2.104 354 2HG2 ILE 46 2HG2 ILE 46 1.734 -4.282 2.791 355 3HG2 ILE 46 3HG2 ILE 46 2.018 -4.100 1.045 356 1HD1 ILE 46 1HD1 ILE 46 2.512 -0.549 0.260 357 2HD1 ILE 46 2HD1 ILE 46 1.694 -2.051 -0.217 358 3HD1 ILE 46 3HD1 ILE 46 0.736 -0.609 0.183 359 H LYS 47 H LYS 47 3.008 -4.265 5.081 360 HA LYS 47 HA LYS 47 5.733 -5.329 4.561 361 1HB LYS 47 2HB LYS 47 4.172 -5.754 7.112 362 2HB LYS 47 3HB LYS 47 5.749 -6.426 6.653 363 1HG LYS 47 2HG LYS 47 6.497 -3.918 6.496 364 2HG LYS 47 3HG LYS 47 5.022 -3.581 7.414 365 1HD LYS 47 2HD LYS 47 5.749 -5.338 9.092 366 2HD LYS 47 3HD LYS 47 7.247 -5.543 8.165 367 1HE LYS 47 2HE LYS 47 7.737 -3.077 8.530 368 2HE LYS 47 3HE LYS 47 6.313 -3.003 9.587 369 1HZ LYS 47 1HZ LYS 47 8.681 -4.689 10.047 370 2HZ LYS 47 2HZ LYS 47 8.314 -3.295 10.838 371 3HZ LYS 47 3HZ LYS 47 7.351 -4.616 11.017 372 H TYR 48 H TYR 48 5.604 -7.439 3.668 373 HA TYR 48 HA TYR 48 3.051 -8.808 3.561 374 1HB TYR 48 2HB TYR 48 2.532 -8.311 1.271 375 2HB TYR 48 3HB TYR 48 2.735 -6.767 2.058 376 HD1 TYR 48 HD1 TYR 48 5.365 -5.858 1.915 377 HD2 TYR 48 HD2 TYR 48 3.518 -8.670 -0.795 378 HE1 TYR 48 HE1 TYR 48 7.216 -5.558 0.306 379 HE2 TYR 48 HE2 TYR 48 5.202 -8.105 -2.502 380 HH TYR 48 HH TYR 48 7.260 -7.104 -2.893 381 H ASP 49 H ASP 49 3.129 -10.642 1.942 382 HA ASP 49 HA ASP 49 5.842 -11.828 1.931 383 1HB ASP 49 2HB ASP 49 3.095 -12.979 1.481 384 2HB ASP 49 3HB ASP 49 4.611 -13.898 1.649 385 HA PRO 50 HA PRO 50 5.370 -10.449 -2.381 386 1HB PRO 50 2HB PRO 50 7.976 -10.420 -3.220 387 2HB PRO 50 3HB PRO 50 7.381 -9.304 -1.968 388 1HG PRO 50 2HG PRO 50 8.754 -11.958 -1.503 389 2HG PRO 50 3HG PRO 50 9.218 -10.351 -0.872 390 1HD PRO 50 2HD PRO 50 7.685 -12.060 0.588 391 2HD PRO 50 3HD PRO 50 7.337 -10.304 0.598 392 H GLU 51 H GLU 51 5.017 -13.362 -1.686 393 HA GLU 51 HA GLU 51 5.984 -14.637 -4.225 394 1HB GLU 51 2HB GLU 51 5.964 -15.881 -1.427 395 2HB GLU 51 3HB GLU 51 6.389 -16.682 -2.947 396 1HG GLU 51 2HG GLU 51 8.288 -15.096 -3.230 397 2HG GLU 51 3HG GLU 51 7.862 -14.316 -1.695 398 H ILE 52 H ILE 52 3.914 -15.314 -1.392 399 HA ILE 52 HA ILE 52 1.991 -16.818 -2.805 400 HB ILE 52 HB ILE 52 0.481 -16.083 -0.815 401 1HG1 ILE 52 2HG1 ILE 52 3.116 -15.231 0.406 402 2HG1 ILE 52 3HG1 ILE 52 1.881 -14.105 -0.171 403 1HG2 ILE 52 1HG2 ILE 52 1.559 -17.835 0.569 404 2HG2 ILE 52 2HG2 ILE 52 1.681 -18.287 -1.125 405 3HG2 ILE 52 3HG2 ILE 52 3.090 -17.590 -0.295 406 1HD1 ILE 52 1HD1 ILE 52 0.231 -15.102 1.397 407 2HD1 ILE 52 2HD1 ILE 52 1.470 -16.226 2.002 408 3HD1 ILE 52 3HD1 ILE 52 1.656 -14.509 2.266 409 H ILE 53 H ILE 53 2.120 -13.367 -2.185 410 HA ILE 53 HA ILE 53 -0.085 -12.995 -4.182 411 HB ILE 53 HB ILE 53 -0.879 -12.115 -2.240 412 1HG1 ILE 53 2HG1 ILE 53 0.297 -9.685 -3.621 413 2HG1 ILE 53 3HG1 ILE 53 -0.943 -10.728 -4.353 414 1HG2 ILE 53 1HG2 ILE 53 1.538 -10.384 -1.606 415 2HG2 ILE 53 2HG2 ILE 53 0.081 -10.650 -0.661 416 3HG2 ILE 53 3HG2 ILE 53 1.223 -11.960 -0.854 417 1HD1 ILE 53 1HD1 ILE 53 -1.961 -8.770 -3.307 418 2HD1 ILE 53 2HD1 ILE 53 -2.452 -10.282 -2.516 419 3HD1 ILE 53 3HD1 ILE 53 -1.260 -9.199 -1.738 420 H GLY 54 H GLY 54 2.485 -10.769 -3.152 421 1HA GLY 54 2HA GLY 54 4.507 -10.637 -4.580 422 2HA GLY 54 1HA GLY 54 3.444 -10.637 -5.991 423 HA PRO 55 HA PRO 55 4.011 -6.220 -4.190 424 1HB PRO 55 2HB PRO 55 5.837 -5.262 -6.050 425 2HB PRO 55 3HB PRO 55 6.262 -5.914 -4.452 426 1HG PRO 55 2HG PRO 55 6.331 -7.331 -7.118 427 2HG PRO 55 3HG PRO 55 7.547 -7.384 -5.815 428 1HD PRO 55 2HD PRO 55 5.707 -9.373 -6.166 429 2HD PRO 55 3HD PRO 55 6.223 -8.895 -4.532 430 H ARG 56 H ARG 56 4.134 -7.524 -7.474 431 HA ARG 56 HA ARG 56 2.865 -5.859 -9.181 432 1HB ARG 56 2HB ARG 56 3.566 -8.170 -9.679 433 2HB ARG 56 3HB ARG 56 2.309 -8.796 -8.619 434 1HG ARG 56 2HG ARG 56 0.718 -7.486 -10.373 435 2HG ARG 56 3HG ARG 56 2.112 -7.777 -11.413 436 1HD ARG 56 2HD ARG 56 0.410 -9.803 -9.879 437 2HD ARG 56 3HD ARG 56 0.547 -9.620 -11.611 438 HE ARG 56 HE ARG 56 2.764 -10.487 -11.598 439 1HH1 ARG 56 2HH2 ARG 56 1.198 -10.948 -8.395 440 2HH1 ARG 56 1HH2 ARG 56 2.108 -12.322 -7.978 441 1HH2 ARG 56 2HH1 ARG 56 3.981 -12.335 -11.049 442 2HH2 ARG 56 1HH1 ARG 56 3.727 -13.130 -9.527 443 H ASP 57 H ASP 57 0.914 -8.243 -7.349 444 HA ASP 57 HA ASP 57 -1.560 -7.258 -7.951 445 1HB ASP 57 2HB ASP 57 -0.706 -8.690 -5.420 446 2HB ASP 57 3HB ASP 57 -2.325 -8.729 -6.131 447 H ILE 58 H ILE 58 0.458 -6.610 -5.074 448 HA ILE 58 HA ILE 58 -1.466 -5.032 -3.662 449 HB ILE 58 HB ILE 58 1.566 -5.244 -3.568 450 1HG1 ILE 58 2HG1 ILE 58 -0.752 -6.221 -1.824 451 2HG1 ILE 58 3HG1 ILE 58 0.298 -7.199 -2.860 452 1HG2 ILE 58 1HG2 ILE 58 1.004 -2.952 -2.826 453 2HG2 ILE 58 2HG2 ILE 58 -0.187 -3.623 -1.696 454 3HG2 ILE 58 3HG2 ILE 58 1.546 -3.957 -1.495 455 1HD1 ILE 58 1HD1 ILE 58 2.241 -6.435 -1.412 456 2HD1 ILE 58 2HD1 ILE 58 1.024 -5.806 -0.272 457 3HD1 ILE 58 3HD1 ILE 58 1.056 -7.533 -0.656 458 H ILE 59 H ILE 59 1.321 -3.937 -5.663 459 HA ILE 59 HA ILE 59 0.651 -1.185 -5.646 460 HB ILE 59 HB ILE 59 2.181 -2.989 -7.532 461 1HG1 ILE 59 2HG1 ILE 59 3.120 -0.684 -5.802 462 2HG1 ILE 59 3HG1 ILE 59 3.025 -2.357 -5.233 463 1HG2 ILE 59 1HG2 ILE 59 1.871 0.011 -7.877 464 2HG2 ILE 59 2HG2 ILE 59 2.984 -1.036 -8.780 465 3HG2 ILE 59 3HG2 ILE 59 1.255 -1.238 -8.989 466 1HD1 ILE 59 1HD1 ILE 59 4.780 -1.342 -7.503 467 2HD1 ILE 59 2HD1 ILE 59 5.289 -1.920 -5.914 468 3HD1 ILE 59 3HD1 ILE 59 4.568 -3.056 -7.069 469 H HIS 60 H HIS 60 -0.354 -3.754 -7.906 470 HA HIS 60 HA HIS 60 -1.894 -2.157 -9.645 471 1HB HIS 60 2HB HIS 60 -0.989 -4.427 -10.030 472 2HB HIS 60 3HB HIS 60 -2.198 -5.090 -8.919 473 HD1 HIS 60 1HD HIS 60 -3.778 -2.495 -11.161 474 HD2 HIS 60 2HD HIS 60 -2.451 -6.506 -11.368 475 HE1 HIS 60 1HE HIS 60 -4.910 -3.533 -13.176 476 H THR 61 H THR 61 -2.784 -3.799 -6.581 477 HA THR 61 HA THR 61 -5.615 -3.251 -6.785 478 HB THR 61 HB THR 61 -3.886 -3.761 -4.323 479 HG1 THR 61 1HG THR 61 -3.961 -5.459 -5.853 480 1HG2 THR 61 1HG2 THR 61 -6.018 -4.420 -3.261 481 2HG2 THR 61 2HG2 THR 61 -6.047 -2.704 -3.700 482 3HG2 THR 61 3HG2 THR 61 -6.910 -3.891 -4.703 483 H ILE 62 H ILE 62 -2.860 -1.611 -5.116 484 HA ILE 62 HA ILE 62 -4.534 0.479 -4.086 485 HB ILE 62 HB ILE 62 -1.518 0.408 -4.479 486 1HG1 ILE 62 2HG1 ILE 62 -1.924 -1.374 -3.002 487 2HG1 ILE 62 3HG1 ILE 62 -1.609 -0.025 -1.935 488 1HG2 ILE 62 1HG2 ILE 62 -3.261 2.220 -2.759 489 2HG2 ILE 62 2HG2 ILE 62 -1.488 2.130 -2.698 490 3HG2 ILE 62 3HG2 ILE 62 -2.289 2.688 -4.171 491 1HD1 ILE 62 1HD1 ILE 62 -4.135 0.259 -1.729 492 2HD1 ILE 62 2HD1 ILE 62 -4.302 -1.274 -2.622 493 3HD1 ILE 62 3HD1 ILE 62 -3.480 -1.249 -1.068 494 H GLU 63 H GLU 63 -2.679 0.241 -7.126 495 HA GLU 63 HA GLU 63 -3.226 2.750 -8.246 496 1HB GLU 63 2HB GLU 63 -1.704 1.206 -9.173 497 2HB GLU 63 3HB GLU 63 -2.861 -0.098 -9.242 498 1HG GLU 63 2HG GLU 63 -3.384 2.371 -10.855 499 2HG GLU 63 3HG GLU 63 -2.161 1.188 -11.366 500 H SER 64 H SER 64 -4.999 -0.291 -8.719 501 HA SER 64 HA SER 64 -7.203 0.688 -9.997 502 1HB SER 64 2HB SER 64 -6.611 -1.656 -9.795 503 2HB SER 64 3HB SER 64 -7.130 -1.677 -8.095 504 HG SER 64 HG SER 64 -8.781 -1.052 -10.325 505 H LEU 65 H LEU 65 -6.827 0.582 -6.428 506 HA LEU 65 HA LEU 65 -9.471 1.389 -5.759 507 1HB LEU 65 2HB LEU 65 -6.829 1.980 -4.386 508 2HB LEU 65 3HB LEU 65 -8.402 2.379 -3.694 509 HG LEU 65 HG LEU 65 -7.449 -0.442 -4.302 510 1HD1 LEU 65 1HD1 LEU 65 -7.869 0.985 -1.644 511 2HD1 LEU 65 2HD1 LEU 65 -7.217 -0.649 -1.905 512 3HD1 LEU 65 3HD1 LEU 65 -6.293 0.768 -2.423 513 1HD2 LEU 65 1HD2 LEU 65 -9.868 -0.403 -4.485 514 2HD2 LEU 65 2HD2 LEU 65 -9.441 -1.087 -2.915 515 3HD2 LEU 65 3HD2 LEU 65 -10.004 0.595 -3.019 516 H GLY 66 H GLY 66 -6.903 3.295 -7.194 517 1HA GLY 66 2HA GLY 66 -7.451 5.287 -8.340 518 2HA GLY 66 1HA GLY 66 -8.685 5.698 -7.144 519 H PHE 67 H PHE 67 -5.214 4.748 -6.978 520 HA PHE 67 HA PHE 67 -4.453 7.395 -5.917 521 1HB PHE 67 2HB PHE 67 -3.551 4.765 -4.672 522 2HB PHE 67 3HB PHE 67 -3.114 6.399 -4.156 523 HD1 PHE 67 1HD PHE 67 -5.144 7.939 -3.498 524 HD2 PHE 67 2HD PHE 67 -5.302 3.649 -3.524 525 HE1 PHE 67 1HE PHE 67 -7.180 8.008 -2.073 526 HE2 PHE 67 2HE PHE 67 -7.268 3.710 -2.007 527 HZ PHE 67 HZ PHE 67 -8.228 5.901 -1.306 528 H GLU 68 H GLU 68 -1.947 7.552 -6.178 529 HA GLU 68 HA GLU 68 -1.041 5.685 -8.337 530 1HB GLU 68 2HB GLU 68 0.612 7.319 -8.948 531 2HB GLU 68 3HB GLU 68 -1.046 7.818 -9.275 532 1HG GLU 68 2HG GLU 68 -0.995 9.539 -7.740 533 2HG GLU 68 3HG GLU 68 0.194 8.756 -6.692 534 HA PRO 69 HA PRO 69 1.553 4.371 -4.881 535 1HB PRO 69 2HB PRO 69 1.700 1.696 -5.490 536 2HB PRO 69 3HB PRO 69 0.336 2.431 -4.610 537 1HG PRO 69 2HG PRO 69 0.536 1.867 -7.556 538 2HG PRO 69 3HG PRO 69 -0.793 1.468 -6.417 539 1HD PRO 69 2HD PRO 69 -0.877 3.594 -8.058 540 2HD PRO 69 3HD PRO 69 -1.543 3.687 -6.398 541 H SER 70 H SER 70 2.884 5.847 -6.192 542 HA SER 70 HA SER 70 4.692 4.738 -8.206 543 1HB SER 70 2HB SER 70 4.682 7.360 -6.715 544 2HB SER 70 3HB SER 70 5.645 7.008 -8.159 545 HG SER 70 HG SER 70 3.211 7.980 -8.223 546 H LEU 71 H LEU 71 6.416 3.530 -7.630 547 HA LEU 71 HA LEU 71 7.322 3.443 -4.866 548 1HB LEU 71 2HB LEU 71 6.841 1.392 -6.079 549 2HB LEU 71 3HB LEU 71 7.995 1.831 -7.350 550 HG LEU 71 HG LEU 71 9.811 1.725 -5.820 551 1HD1 LEU 71 1HD1 LEU 71 8.943 2.419 -3.682 552 2HD1 LEU 71 2HD1 LEU 71 7.752 1.102 -3.671 553 3HD1 LEU 71 3HD1 LEU 71 9.483 0.754 -3.474 554 1HD2 LEU 71 1HD2 LEU 71 8.051 -0.753 -5.616 555 2HD2 LEU 71 2HD2 LEU 71 9.135 -0.340 -6.960 556 3HD2 LEU 71 3HD2 LEU 71 9.810 -0.721 -5.366 557 H VAL 72 H VAL 72 7.855 5.777 -5.233 558 HA VAL 72 HA VAL 72 10.561 6.258 -6.343 559 HB VAL 72 HB VAL 72 8.703 7.995 -6.282 560 1HG1 VAL 72 1HG1 VAL 72 8.020 7.557 -3.888 561 2HG1 VAL 72 2HG1 VAL 72 9.531 8.328 -3.364 562 3HG1 VAL 72 3HG1 VAL 72 8.330 9.260 -4.270 563 1HG2 VAL 72 1HG2 VAL 72 11.395 8.665 -5.045 564 2HG2 VAL 72 2HG2 VAL 72 11.023 8.573 -6.776 565 3HG2 VAL 72 3HG2 VAL 72 10.278 9.834 -5.778 566 H LYS 73 H LYS 73 8.947 5.295 -3.424 567 HA LYS 73 HA LYS 73 9.626 4.289 -1.580 568 1HB LYS 73 2HB LYS 73 11.374 3.249 -3.150 569 2HB LYS 73 3HB LYS 73 12.537 4.389 -2.456 570 1HG LYS 73 2HG LYS 73 11.790 3.510 -0.152 571 2HG LYS 73 3HG LYS 73 10.914 2.247 -1.034 572 1HD LYS 73 2HD LYS 73 13.100 1.605 -2.143 573 2HD LYS 73 3HD LYS 73 13.918 2.796 -1.096 574 1HE LYS 73 2HE LYS 73 12.805 1.622 0.898 575 2HE LYS 73 3HE LYS 73 12.283 0.356 -0.245 576 1HZ LYS 73 1HZ LYS 73 14.547 -0.166 -0.638 577 2HZ LYS 73 2HZ LYS 73 15.055 1.012 0.413 578 3HZ LYS 73 3HZ LYS 73 14.155 -0.256 0.961 579 H ILE 74 H ILE 74 12.323 6.599 -2.258 580 HA ILE 74 HA ILE 74 12.152 7.455 0.590 581 HB ILE 74 HB ILE 74 14.258 8.229 -1.447 582 1HG1 ILE 74 2HG1 ILE 74 14.350 5.829 -1.322 583 2HG1 ILE 74 3HG1 ILE 74 15.700 6.531 -0.445 584 1HG2 ILE 74 1HG2 ILE 74 14.094 9.693 0.537 585 2HG2 ILE 74 2HG2 ILE 74 14.206 8.297 1.606 586 3HG2 ILE 74 3HG2 ILE 74 15.580 8.738 0.573 587 1HD1 ILE 74 1HD1 ILE 74 14.571 6.069 1.716 588 2HD1 ILE 74 2HD1 ILE 74 13.178 5.386 0.846 589 3HD1 ILE 74 3HD1 ILE 74 14.762 4.605 0.747 590 H GLU 75 H GLU 75 12.819 9.372 -2.454 591 HA GLU 75 HA GLU 75 10.571 11.074 -2.179 592 1HB GLU 75 2HB GLU 75 11.903 13.106 -1.678 593 2HB GLU 75 3HB GLU 75 11.895 11.985 -0.313 594 1HG GLU 75 2HG GLU 75 14.198 11.159 -1.200 595 2HG GLU 75 3HG GLU 75 14.160 12.577 -2.244 Start of MODEL 22 1 1H MET 1 H1 MET 1 10.297 -13.367 3.251 2 2H MET 1 H2 MET 1 10.516 -14.571 2.109 3 3H MET 1 H3 MET 1 9.168 -14.526 3.001 4 HA MET 1 HA MET 1 10.233 -16.082 4.239 5 1HB MET 1 2HB MET 1 12.777 -14.764 3.199 6 2HB MET 1 3HB MET 1 12.805 -15.860 4.593 7 1HG MET 1 2HG MET 1 11.804 -17.649 3.262 8 2HG MET 1 3HG MET 1 11.843 -16.615 1.821 9 1HE MET 1 1HE MET 1 13.153 -18.656 0.635 10 2HE MET 1 2HE MET 1 14.679 -19.325 1.263 11 3HE MET 1 3HE MET 1 13.163 -19.581 2.160 12 H GLY 2 H GLY 2 12.639 -13.577 4.889 13 1HA GLY 2 2HA GLY 2 11.288 -12.388 7.186 14 2HA GLY 2 1HA GLY 2 12.587 -11.687 6.192 15 H ASP 3 H ASP 3 10.374 -10.157 6.881 16 HA ASP 3 HA ASP 3 8.268 -10.311 4.920 17 1HB ASP 3 2HB ASP 3 8.055 -9.579 7.335 18 2HB ASP 3 3HB ASP 3 8.873 -8.068 6.884 19 H GLY 4 H GLY 4 7.950 -9.005 3.147 20 1HA GLY 4 2HA GLY 4 10.276 -7.473 2.073 21 2HA GLY 4 1HA GLY 4 8.837 -8.011 1.193 22 H VAL 5 H VAL 5 9.846 -5.882 3.876 23 HA VAL 5 HA VAL 5 7.397 -4.466 4.026 24 HB VAL 5 HB VAL 5 10.113 -3.432 4.904 25 1HG1 VAL 5 1HG1 VAL 5 8.741 -2.211 6.592 26 2HG1 VAL 5 2HG1 VAL 5 8.358 -1.697 4.947 27 3HG1 VAL 5 3HG1 VAL 5 7.263 -2.797 5.799 28 1HG2 VAL 5 1HG2 VAL 5 8.101 -5.241 6.324 29 2HG2 VAL 5 2HG2 VAL 5 9.778 -5.643 5.910 30 3HG2 VAL 5 3HG2 VAL 5 9.449 -4.412 7.129 31 H LEU 6 H LEU 6 7.020 -4.183 1.702 32 HA LEU 6 HA LEU 6 8.593 -2.296 0.177 33 1HB LEU 6 2HB LEU 6 7.220 -4.101 -0.854 34 2HB LEU 6 3HB LEU 6 5.756 -3.286 -0.257 35 HG LEU 6 HG LEU 6 6.379 -1.281 -1.672 36 1HD1 LEU 6 1HD1 LEU 6 8.409 -3.228 -2.856 37 2HD1 LEU 6 2HD1 LEU 6 7.952 -1.656 -3.543 38 3HD1 LEU 6 3HD1 LEU 6 8.792 -1.725 -1.990 39 1HD2 LEU 6 1HD2 LEU 6 5.585 -2.300 -3.756 40 2HD2 LEU 6 2HD2 LEU 6 5.947 -3.915 -3.120 41 3HD2 LEU 6 3HD2 LEU 6 4.683 -2.925 -2.365 42 H GLU 7 H GLU 7 8.414 -0.115 0.092 43 HA GLU 7 HA GLU 7 6.035 1.254 1.243 44 1HB GLU 7 2HB GLU 7 8.796 2.381 0.626 45 2HB GLU 7 3HB GLU 7 7.395 3.251 1.244 46 1HG GLU 7 2HG GLU 7 7.498 1.686 3.291 47 2HG GLU 7 3HG GLU 7 9.079 1.168 2.686 48 H LEU 8 H LEU 8 4.987 2.691 -0.160 49 HA LEU 8 HA LEU 8 6.082 3.196 -2.848 50 1HB LEU 8 2HB LEU 8 3.641 2.882 -3.688 51 2HB LEU 8 3HB LEU 8 4.707 1.486 -3.601 52 HG LEU 8 HG LEU 8 3.022 2.001 -1.172 53 1HD1 LEU 8 1HD1 LEU 8 1.055 0.926 -2.134 54 2HD1 LEU 8 2HD1 LEU 8 1.407 2.454 -2.945 55 3HD1 LEU 8 3HD1 LEU 8 1.816 0.918 -3.735 56 1HD2 LEU 8 1HD2 LEU 8 2.791 -0.473 -1.344 57 2HD2 LEU 8 2HD2 LEU 8 3.789 -0.470 -2.798 58 3HD2 LEU 8 3HD2 LEU 8 4.479 0.023 -1.232 59 H VAL 9 H VAL 9 5.986 5.373 -3.127 60 HA VAL 9 HA VAL 9 4.328 7.023 -1.405 61 HB VAL 9 HB VAL 9 6.145 7.548 -3.707 62 1HG1 VAL 9 1HG1 VAL 9 4.208 8.786 -4.521 63 2HG1 VAL 9 2HG1 VAL 9 3.967 9.522 -2.918 64 3HG1 VAL 9 3HG1 VAL 9 5.408 9.906 -3.873 65 1HG2 VAL 9 1HG2 VAL 9 6.819 7.733 -1.274 66 2HG2 VAL 9 2HG2 VAL 9 6.983 9.274 -2.142 67 3HG2 VAL 9 3HG2 VAL 9 5.606 9.020 -1.070 68 H VAL 10 H VAL 10 2.262 7.785 -1.837 69 HA VAL 10 HA VAL 10 0.938 7.036 -4.380 70 HB VAL 10 HB VAL 10 -1.184 6.689 -3.014 71 1HG1 VAL 10 1HG1 VAL 10 -0.622 4.269 -2.563 72 2HG1 VAL 10 2HG1 VAL 10 -0.323 4.849 -4.204 73 3HG1 VAL 10 3HG1 VAL 10 1.041 4.647 -3.063 74 1HG2 VAL 10 1HG2 VAL 10 -1.015 5.871 -0.804 75 2HG2 VAL 10 2HG2 VAL 10 0.766 5.868 -0.851 76 3HG2 VAL 10 3HG2 VAL 10 -0.121 7.408 -0.821 77 H ARG 11 H ARG 11 -0.840 8.485 -4.817 78 HA ARG 11 HA ARG 11 -1.260 10.811 -3.091 79 1HB ARG 11 2HB ARG 11 -0.541 10.981 -6.034 80 2HB ARG 11 3HB ARG 11 -1.210 12.326 -5.087 81 1HG ARG 11 2HG ARG 11 0.752 12.191 -3.550 82 2HG ARG 11 3HG ARG 11 1.487 10.979 -4.601 83 1HD ARG 11 2HD ARG 11 0.811 13.852 -5.420 84 2HD ARG 11 3HD ARG 11 2.386 13.255 -4.940 85 HE ARG 11 HE ARG 11 2.702 12.140 -6.919 86 1HH1 ARG 11 2HH2 ARG 11 -0.523 13.562 -6.940 87 2HH1 ARG 11 1HH2 ARG 11 -1.105 12.505 -8.183 88 1HH2 ARG 11 2HH1 ARG 11 2.078 11.143 -8.938 89 2HH2 ARG 11 1HH1 ARG 11 0.423 11.315 -9.457 90 H GLY 12 H GLY 12 -3.265 11.994 -4.254 91 1HA GLY 12 2HA GLY 12 -5.294 11.818 -5.388 92 2HA GLY 12 1HA GLY 12 -5.064 10.086 -5.631 93 H MET 13 H MET 13 -4.298 10.416 -2.447 94 HA MET 13 HA MET 13 -6.858 9.422 -1.536 95 1HB MET 13 2HB MET 13 -4.530 10.419 0.146 96 2HB MET 13 3HB MET 13 -5.877 9.426 0.668 97 1HG MET 13 2HG MET 13 -4.225 7.836 0.431 98 2HG MET 13 3HG MET 13 -5.091 7.701 -1.095 99 1HE MET 13 1HE MET 13 -0.900 9.570 -0.493 100 2HE MET 13 2HE MET 13 -2.347 10.365 0.123 101 3HE MET 13 3HE MET 13 -1.857 8.777 0.776 102 H THR 14 H THR 14 -8.178 10.418 0.093 103 HA THR 14 HA THR 14 -7.698 13.155 0.874 104 HB THR 14 HB THR 14 -8.987 13.577 -1.151 105 HG1 THR 14 1HG THR 14 -9.584 14.986 0.347 106 1HG2 THR 14 1HG2 THR 14 -11.181 11.796 0.003 107 2HG2 THR 14 2HG2 THR 14 -11.268 12.778 -1.467 108 3HG2 THR 14 3HG2 THR 14 -10.159 11.399 -1.398 109 H CYS 15 H CYS 15 -8.471 13.478 2.886 110 HA CYS 15 HA CYS 15 -9.365 13.180 4.897 111 1HB CYS 15 2HB CYS 15 -11.382 11.336 3.539 112 2HB CYS 15 3HB CYS 15 -11.511 12.024 5.162 113 HG CYS 15 HG CYS 15 -11.214 13.662 2.308 114 H ALA 16 H ALA 16 -9.431 11.852 6.759 115 HA ALA 16 HA ALA 16 -7.490 9.867 7.042 116 1HB ALA 16 1HB ALA 16 -10.062 10.244 8.641 117 2HB ALA 16 2HB ALA 16 -8.633 9.326 9.162 118 3HB ALA 16 3HB ALA 16 -8.517 11.081 8.924 119 H SER 17 H SER 17 -10.950 9.555 6.175 120 HA SER 17 HA SER 17 -11.556 6.976 6.107 121 1HB SER 17 2HB SER 17 -11.869 8.700 3.628 122 2HB SER 17 3HB SER 17 -13.029 7.583 4.376 123 HG SER 17 HG SER 17 -13.533 9.766 4.882 124 H CYS 18 H CYS 18 -9.334 8.534 3.653 125 HA CYS 18 HA CYS 18 -9.198 6.107 2.081 126 1HB CYS 18 2HB CYS 18 -7.593 8.670 2.111 127 2HB CYS 18 3HB CYS 18 -7.084 7.263 1.146 128 HG CYS 18 HG CYS 18 -9.994 8.780 1.117 129 H VAL 19 H VAL 19 -7.347 7.288 4.869 130 HA VAL 19 HA VAL 19 -5.101 5.595 4.592 131 HB VAL 19 HB VAL 19 -6.380 6.672 7.154 132 1HG1 VAL 19 1HG1 VAL 19 -4.726 4.897 7.581 133 2HG1 VAL 19 2HG1 VAL 19 -3.527 5.821 6.656 134 3HG1 VAL 19 3HG1 VAL 19 -4.197 6.486 8.150 135 1HG2 VAL 19 1HG2 VAL 19 -5.919 8.526 5.607 136 2HG2 VAL 19 2HG2 VAL 19 -4.748 8.526 6.929 137 3HG2 VAL 19 3HG2 VAL 19 -4.275 7.908 5.330 138 H HIS 20 H HIS 20 -8.114 5.292 6.555 139 HA HIS 20 HA HIS 20 -7.504 2.620 7.358 140 1HB HIS 20 2HB HIS 20 -8.980 3.163 8.872 141 2HB HIS 20 3HB HIS 20 -9.355 4.667 8.054 142 HD1 HIS 20 1HD HIS 20 -11.278 2.375 9.633 143 HD2 HIS 20 2HD HIS 20 -11.193 3.787 5.680 144 HE1 HIS 20 1HE HIS 20 -13.633 2.161 8.719 145 H LYS 21 H LYS 21 -9.235 4.014 4.566 146 HA LYS 21 HA LYS 21 -10.469 1.659 3.666 147 1HB LYS 21 2HB LYS 21 -10.499 4.086 2.628 148 2HB LYS 21 3HB LYS 21 -9.142 3.537 1.676 149 1HG LYS 21 2HG LYS 21 -11.983 2.479 1.701 150 2HG LYS 21 3HG LYS 21 -11.094 3.231 0.371 151 1HD LYS 21 2HD LYS 21 -9.517 1.196 0.455 152 2HD LYS 21 3HD LYS 21 -10.716 0.464 1.563 153 1HE LYS 21 2HE LYS 21 -12.448 0.841 -0.276 154 2HE LYS 21 3HE LYS 21 -11.104 1.267 -1.344 155 1HZ LYS 21 1HZ LYS 21 -11.636 -1.015 -1.617 156 2HZ LYS 21 2HZ LYS 21 -10.198 -1.035 -0.823 157 3HZ LYS 21 3HZ LYS 21 -11.580 -1.324 -0.011 158 H ILE 22 H ILE 22 -7.219 2.995 2.922 159 HA ILE 22 HA ILE 22 -6.511 0.870 1.150 160 HB ILE 22 HB ILE 22 -4.750 2.839 2.669 161 1HG1 ILE 22 2HG1 ILE 22 -5.332 2.764 -0.293 162 2HG1 ILE 22 3HG1 ILE 22 -6.446 3.587 0.825 163 1HG2 ILE 22 1HG2 ILE 22 -3.151 2.108 0.691 164 2HG2 ILE 22 2HG2 ILE 22 -3.333 1.021 2.082 165 3HG2 ILE 22 3HG2 ILE 22 -4.225 0.720 0.564 166 1HD1 ILE 22 1HD1 ILE 22 -4.706 5.104 1.572 167 2HD1 ILE 22 2HD1 ILE 22 -3.504 4.312 0.528 168 3HD1 ILE 22 3HD1 ILE 22 -4.872 5.180 -0.185 169 H GLU 23 H GLU 23 -5.652 1.559 4.553 170 HA GLU 23 HA GLU 23 -4.183 -0.687 5.172 171 1HB GLU 23 2HB GLU 23 -5.029 1.429 6.545 172 2HB GLU 23 3HB GLU 23 -6.262 0.313 7.132 173 1HG GLU 23 2HG GLU 23 -3.243 0.026 7.362 174 2HG GLU 23 3HG GLU 23 -4.355 0.490 8.644 175 H SER 24 H SER 24 -7.729 -0.341 5.440 176 HA SER 24 HA SER 24 -8.205 -3.014 6.324 177 1HB SER 24 2HB SER 24 -9.806 -1.167 6.609 178 2HB SER 24 3HB SER 24 -10.065 -1.091 4.858 179 HG SER 24 HG SER 24 -10.601 -3.326 6.538 180 H SER 25 H SER 25 -8.158 -1.520 3.134 181 HA SER 25 HA SER 25 -9.282 -3.657 1.623 182 1HB SER 25 2HB SER 25 -9.017 -1.146 1.083 183 2HB SER 25 3HB SER 25 -7.387 -1.544 0.532 184 HG SER 25 HG SER 25 -8.483 -3.030 -0.926 185 H LEU 26 H LEU 26 -5.969 -2.766 2.613 186 HA LEU 26 HA LEU 26 -4.692 -4.906 1.144 187 1HB LEU 26 2HB LEU 26 -3.905 -2.921 3.298 188 2HB LEU 26 3HB LEU 26 -2.984 -4.381 3.174 189 HG LEU 26 HG LEU 26 -1.765 -2.981 1.983 190 1HD1 LEU 26 1HD1 LEU 26 -3.363 -4.050 -0.362 191 2HD1 LEU 26 2HD1 LEU 26 -1.659 -3.599 -0.300 192 3HD1 LEU 26 3HD1 LEU 26 -2.213 -5.019 0.596 193 1HD2 LEU 26 1HD2 LEU 26 -4.164 -1.824 0.551 194 2HD2 LEU 26 2HD2 LEU 26 -3.344 -1.147 1.976 195 3HD2 LEU 26 3HD2 LEU 26 -2.465 -1.261 0.454 196 H THR 27 H THR 27 -5.549 -4.530 4.633 197 HA THR 27 HA THR 27 -4.422 -6.933 5.442 198 HB THR 27 HB THR 27 -6.065 -6.944 7.310 199 HG1 THR 27 1HG THR 27 -7.282 -4.982 5.692 200 1HG2 THR 27 1HG2 THR 27 -4.045 -5.632 7.542 201 2HG2 THR 27 2HG2 THR 27 -4.744 -4.265 6.678 202 3HG2 THR 27 3HG2 THR 27 -5.403 -4.738 8.244 203 H LYS 28 H LYS 28 -7.472 -6.556 3.714 204 HA LYS 28 HA LYS 28 -8.219 -9.346 4.097 205 1HB LYS 28 2HB LYS 28 -10.110 -8.841 2.762 206 2HB LYS 28 3HB LYS 28 -9.848 -7.543 3.923 207 1HG LYS 28 2HG LYS 28 -9.298 -5.987 2.395 208 2HG LYS 28 3HG LYS 28 -8.601 -7.099 1.225 209 1HD LYS 28 2HD LYS 28 -11.594 -7.134 1.757 210 2HD LYS 28 3HD LYS 28 -10.873 -5.894 0.734 211 1HE LYS 28 2HE LYS 28 -11.668 -7.758 -0.642 212 2HE LYS 28 3HE LYS 28 -9.923 -7.511 -0.797 213 1HZ LYS 28 1HZ LYS 28 -9.571 -9.385 0.671 214 2HZ LYS 28 2HZ LYS 28 -11.191 -9.586 0.869 215 3HZ LYS 28 3HZ LYS 28 -10.500 -9.828 -0.605 216 H HIS 29 H HIS 29 -5.628 -8.385 2.336 217 HA HIS 29 HA HIS 29 -6.090 -10.340 0.119 218 1HB HIS 29 2HB HIS 29 -3.938 -8.324 0.766 219 2HB HIS 29 3HB HIS 29 -3.580 -9.678 -0.283 220 HD1 HIS 29 1HD HIS 29 -4.351 -9.501 -2.772 221 HD2 HIS 29 2HD HIS 29 -5.682 -6.470 -0.192 222 HE1 HIS 29 1HE HIS 29 -5.330 -7.668 -4.243 223 H ARG 30 H ARG 30 -3.948 -11.743 -0.100 224 HA ARG 30 HA ARG 30 -3.532 -13.267 2.422 225 1HB ARG 30 2HB ARG 30 -2.873 -13.689 -0.515 226 2HB ARG 30 3HB ARG 30 -1.950 -14.524 0.728 227 1HG ARG 30 2HG ARG 30 -3.755 -15.908 -0.141 228 2HG ARG 30 3HG ARG 30 -3.869 -15.644 1.606 229 1HD ARG 30 2HD ARG 30 -5.645 -14.025 1.319 230 2HD ARG 30 3HD ARG 30 -5.485 -14.091 -0.460 231 HE ARG 30 HE ARG 30 -5.933 -16.711 0.302 232 1HH1 ARG 30 2HH2 ARG 30 -7.676 -13.680 0.710 233 2HH1 ARG 30 1HH2 ARG 30 -9.259 -14.399 0.745 234 1HH2 ARG 30 2HH1 ARG 30 -8.016 -17.712 0.325 235 2HH2 ARG 30 1HH1 ARG 30 -9.448 -16.757 0.504 236 H GLY 31 H GLY 31 -1.326 -13.574 3.171 237 1HA GLY 31 2HA GLY 31 0.876 -13.136 3.455 238 2HA GLY 31 1HA GLY 31 0.886 -12.180 1.963 239 H ILE 32 H ILE 32 -0.727 -10.045 2.483 240 HA ILE 32 HA ILE 32 0.933 -8.491 4.146 241 HB ILE 32 HB ILE 32 0.211 -7.210 2.528 242 1HG1 ILE 32 2HG1 ILE 32 -1.211 -5.525 3.072 243 2HG1 ILE 32 3HG1 ILE 32 -2.295 -6.528 4.067 244 1HG2 ILE 32 1HG2 ILE 32 -2.058 -7.077 1.575 245 2HG2 ILE 32 2HG2 ILE 32 -1.155 -8.562 1.259 246 3HG2 ILE 32 3HG2 ILE 32 -2.456 -8.552 2.500 247 1HD1 ILE 32 1HD1 ILE 32 -0.509 -4.787 5.024 248 2HD1 ILE 32 2HD1 ILE 32 -1.000 -6.250 5.901 249 3HD1 ILE 32 3HD1 ILE 32 0.528 -6.230 4.969 250 H LEU 33 H LEU 33 1.119 -8.644 6.172 251 HA LEU 33 HA LEU 33 -1.176 -9.496 7.857 252 1HB LEU 33 2HB LEU 33 0.458 -10.230 9.439 253 2HB LEU 33 3HB LEU 33 0.827 -10.851 7.835 254 HG LEU 33 HG LEU 33 2.376 -8.550 7.864 255 1HD1 LEU 33 1HD1 LEU 33 3.526 -8.433 10.002 256 2HD1 LEU 33 2HD1 LEU 33 1.797 -8.149 10.275 257 3HD1 LEU 33 3HD1 LEU 33 2.506 -9.724 10.673 258 1HD2 LEU 33 1HD2 LEU 33 4.274 -10.066 8.280 259 2HD2 LEU 33 2HD2 LEU 33 3.150 -11.332 8.818 260 3HD2 LEU 33 3HD2 LEU 33 3.116 -10.759 7.134 261 H TYR 34 H TYR 34 0.901 -6.720 7.274 262 HA TYR 34 HA TYR 34 -0.737 -5.130 9.154 263 1HB TYR 34 2HB TYR 34 1.218 -5.873 10.480 264 2HB TYR 34 3HB TYR 34 2.291 -5.332 9.233 265 HD1 TYR 34 HD1 TYR 34 2.712 -2.938 8.794 266 HD2 TYR 34 HD2 TYR 34 0.153 -4.232 12.015 267 HE1 TYR 34 HE1 TYR 34 2.898 -0.711 9.830 268 HE2 TYR 34 HE2 TYR 34 0.284 -1.962 13.014 269 HH TYR 34 HH TYR 34 1.543 0.718 11.213 270 H CYS 35 H CYS 35 -1.403 -3.337 7.963 271 HA CYS 35 HA CYS 35 0.350 -2.406 5.719 272 1HB CYS 35 2HB CYS 35 -2.122 -3.010 5.197 273 2HB CYS 35 3HB CYS 35 -2.531 -1.683 6.262 274 HG CYS 35 HG CYS 35 -0.980 -1.868 3.467 275 H SER 36 H SER 36 0.579 -0.042 5.643 276 HA SER 36 HA SER 36 -0.656 1.587 7.669 277 1HB SER 36 2HB SER 36 2.307 1.037 7.920 278 2HB SER 36 3HB SER 36 1.658 2.625 8.361 279 HG SER 36 HG SER 36 0.437 0.301 9.345 280 H VAL 37 H VAL 37 -1.379 3.160 6.304 281 HA VAL 37 HA VAL 37 0.661 4.421 4.557 282 HB VAL 37 HB VAL 37 -1.066 4.918 2.995 283 1HG1 VAL 37 1HG1 VAL 37 -2.141 2.242 3.925 284 2HG1 VAL 37 2HG1 VAL 37 -1.886 2.878 2.294 285 3HG1 VAL 37 3HG1 VAL 37 -0.504 2.324 3.257 286 1HG2 VAL 37 1HG2 VAL 37 -3.451 4.454 3.422 287 2HG2 VAL 37 2HG2 VAL 37 -3.082 4.011 5.096 288 3HG2 VAL 37 3HG2 VAL 37 -2.818 5.690 4.508 289 H ALA 38 H ALA 38 0.308 6.751 4.220 290 HA ALA 38 HA ALA 38 -1.351 8.136 6.156 291 1HB ALA 38 1HB ALA 38 1.662 8.527 6.205 292 2HB ALA 38 2HB ALA 38 0.455 9.591 6.973 293 3HB ALA 38 3HB ALA 38 0.652 7.911 7.538 294 H LEU 39 H LEU 39 -2.049 9.966 5.323 295 HA LEU 39 HA LEU 39 -1.573 10.466 2.526 296 1HB LEU 39 2HB LEU 39 -3.299 12.134 2.667 297 2HB LEU 39 3HB LEU 39 -3.765 10.636 3.455 298 HG LEU 39 HG LEU 39 -2.876 11.974 5.653 299 1HD1 LEU 39 1HD1 LEU 39 -2.341 14.064 4.310 300 2HD1 LEU 39 2HD1 LEU 39 -4.045 14.142 3.841 301 3HD1 LEU 39 3HD1 LEU 39 -3.583 14.318 5.544 302 1HD2 LEU 39 1HD2 LEU 39 -5.079 10.928 5.400 303 2HD2 LEU 39 2HD2 LEU 39 -5.239 12.559 6.070 304 3HD2 LEU 39 3HD2 LEU 39 -5.617 12.263 4.359 305 H ALA 40 H ALA 40 -0.711 12.208 5.529 306 HA ALA 40 HA ALA 40 0.490 14.468 4.357 307 1HB ALA 40 1HB ALA 40 1.742 14.647 6.481 308 2HB ALA 40 2HB ALA 40 0.033 14.262 6.766 309 3HB ALA 40 3HB ALA 40 1.267 12.989 6.913 310 H THR 41 H THR 41 2.005 11.286 5.245 311 HA THR 41 HA THR 41 4.573 11.944 4.233 312 HB THR 41 HB THR 41 3.390 9.169 4.515 313 HG1 THR 41 1HG THR 41 4.150 10.908 6.622 314 1HG2 THR 41 1HG2 THR 41 5.598 8.648 5.480 315 2HG2 THR 41 2HG2 THR 41 5.805 9.385 3.879 316 3HG2 THR 41 3HG2 THR 41 6.093 10.349 5.339 317 H ASN 42 H ASN 42 1.604 11.320 2.612 318 HA ASN 42 HA ASN 42 0.980 10.656 0.562 319 1HB ASN 42 2HB ASN 42 3.776 11.653 -0.193 320 2HB ASN 42 3HB ASN 42 2.550 11.152 -1.347 321 1HD2 ASN 42 1HD2 ASN 42 2.660 13.436 1.541 322 2HD2 ASN 42 2HD2 ASN 42 1.883 14.687 0.612 323 H LYS 43 H LYS 43 1.817 8.598 2.309 324 HA LYS 43 HA LYS 43 3.340 6.792 0.495 325 1HB LYS 43 2HB LYS 43 4.890 7.883 2.117 326 2HB LYS 43 3HB LYS 43 3.972 7.111 3.433 327 1HG LYS 43 2HG LYS 43 4.458 4.882 2.410 328 2HG LYS 43 3HG LYS 43 5.398 5.663 1.136 329 1HD LYS 43 2HD LYS 43 5.992 5.730 4.140 330 2HD LYS 43 3HD LYS 43 6.643 4.579 2.980 331 1HE LYS 43 2HE LYS 43 7.588 6.646 1.694 332 2HE LYS 43 3HE LYS 43 7.206 7.558 3.161 333 1HZ LYS 43 1HZ LYS 43 9.344 6.846 3.642 334 2HZ LYS 43 2HZ LYS 43 8.559 5.447 4.140 335 3HZ LYS 43 3HZ LYS 43 9.223 5.480 2.724 336 H ALA 44 H ALA 44 2.832 4.692 0.500 337 HA ALA 44 HA ALA 44 1.128 3.634 2.677 338 1HB ALA 44 1HB ALA 44 1.140 2.877 -0.273 339 2HB ALA 44 2HB ALA 44 0.342 1.933 1.000 340 3HB ALA 44 3HB ALA 44 -0.207 3.584 0.630 341 H HIS 45 H HIS 45 2.046 1.809 3.719 342 HA HIS 45 HA HIS 45 4.081 0.397 2.154 343 1HB HIS 45 2HB HIS 45 5.650 0.130 3.781 344 2HB HIS 45 3HB HIS 45 5.235 1.838 3.892 345 HD1 HIS 45 1HD HIS 45 5.514 2.411 6.343 346 HD2 HIS 45 2HD HIS 45 4.003 -1.469 5.725 347 HE1 HIS 45 1HE HIS 45 5.365 1.301 8.623 348 H ILE 46 H ILE 46 4.303 -1.793 2.641 349 HA ILE 46 HA ILE 46 1.990 -3.029 4.088 350 HB ILE 46 HB ILE 46 3.203 -3.849 1.411 351 1HG1 ILE 46 2HG1 ILE 46 0.591 -3.666 0.859 352 2HG1 ILE 46 3HG1 ILE 46 0.584 -2.511 2.194 353 1HG2 ILE 46 1HG2 ILE 46 2.587 -5.785 2.836 354 2HG2 ILE 46 2HG2 ILE 46 0.979 -5.081 3.012 355 3HG2 ILE 46 3HG2 ILE 46 1.550 -5.648 1.424 356 1HD1 ILE 46 1HD1 ILE 46 0.846 -1.527 -0.114 357 2HD1 ILE 46 2HD1 ILE 46 2.183 -1.087 0.953 358 3HD1 ILE 46 3HD1 ILE 46 2.403 -2.378 -0.246 359 H LYS 47 H LYS 47 2.592 -4.661 5.428 360 HA LYS 47 HA LYS 47 5.351 -5.767 5.242 361 1HB LYS 47 2HB LYS 47 3.384 -5.882 7.510 362 2HB LYS 47 3HB LYS 47 4.979 -6.634 7.474 363 1HG LYS 47 2HG LYS 47 5.979 -4.349 7.016 364 2HG LYS 47 3HG LYS 47 4.381 -3.654 7.352 365 1HD LYS 47 2HD LYS 47 4.429 -4.879 9.567 366 2HD LYS 47 3HD LYS 47 6.075 -5.406 9.190 367 1HE LYS 47 2HE LYS 47 6.866 -3.069 9.131 368 2HE LYS 47 3HE LYS 47 5.214 -2.456 9.277 369 1HZ LYS 47 1HZ LYS 47 6.367 -2.354 11.352 370 2HZ LYS 47 2HZ LYS 47 5.090 -3.383 11.464 371 3HZ LYS 47 3HZ LYS 47 6.624 -3.981 11.358 372 H TYR 48 H TYR 48 5.393 -7.654 4.133 373 HA TYR 48 HA TYR 48 3.321 -9.611 4.300 374 1HB TYR 48 2HB TYR 48 2.525 -9.603 2.057 375 2HB TYR 48 3HB TYR 48 2.337 -7.962 2.638 376 HD1 TYR 48 HD1 TYR 48 3.262 -9.805 -0.102 377 HD2 TYR 48 HD2 TYR 48 4.632 -6.404 2.135 378 HE1 TYR 48 HE1 TYR 48 4.265 -8.851 -2.162 379 HE2 TYR 48 HE2 TYR 48 5.647 -5.489 0.125 380 HH TYR 48 HH TYR 48 6.191 -5.851 -2.068 381 H ASP 49 H ASP 49 3.992 -11.626 3.083 382 HA ASP 49 HA ASP 49 6.873 -11.791 2.617 383 1HB ASP 49 2HB ASP 49 5.867 -13.758 3.500 384 2HB ASP 49 3HB ASP 49 4.682 -13.817 2.184 385 HA PRO 50 HA PRO 50 6.076 -10.226 -1.511 386 1HB PRO 50 2HB PRO 50 8.593 -10.017 -2.483 387 2HB PRO 50 3HB PRO 50 8.026 -9.029 -1.105 388 1HG PRO 50 2HG PRO 50 9.564 -11.648 -0.976 389 2HG PRO 50 3HG PRO 50 9.981 -10.104 -0.169 390 1HD PRO 50 2HD PRO 50 8.603 -12.056 1.133 391 2HD PRO 50 3HD PRO 50 8.179 -10.332 1.366 392 H GLU 51 H GLU 51 6.979 -13.515 -0.955 393 HA GLU 51 HA GLU 51 7.483 -14.085 -3.813 394 1HB GLU 51 2HB GLU 51 8.772 -15.180 -1.952 395 2HB GLU 51 3HB GLU 51 7.283 -15.976 -1.428 396 1HG GLU 51 2HG GLU 51 7.105 -17.084 -3.647 397 2HG GLU 51 3HG GLU 51 8.591 -16.267 -4.169 398 H ILE 52 H ILE 52 5.191 -14.875 -1.184 399 HA ILE 52 HA ILE 52 3.580 -16.510 -2.811 400 HB ILE 52 HB ILE 52 1.867 -16.347 -1.030 401 1HG1 ILE 52 2HG1 ILE 52 3.737 -14.287 0.180 402 2HG1 ILE 52 3HG1 ILE 52 2.029 -14.105 -0.229 403 1HG2 ILE 52 1HG2 ILE 52 3.218 -17.598 0.555 404 2HG2 ILE 52 2HG2 ILE 52 3.854 -17.917 -1.053 405 3HG2 ILE 52 3HG2 ILE 52 4.702 -16.782 0.012 406 1HD1 ILE 52 1HD1 ILE 52 2.242 -14.360 2.144 407 2HD1 ILE 52 2HD1 ILE 52 1.432 -15.798 1.487 408 3HD1 ILE 52 3HD1 ILE 52 3.144 -15.863 1.984 409 H ILE 53 H ILE 53 2.878 -13.172 -1.938 410 HA ILE 53 HA ILE 53 0.666 -13.115 -3.959 411 HB ILE 53 HB ILE 53 -0.071 -12.500 -1.818 412 1HG1 ILE 53 2HG1 ILE 53 0.176 -10.016 -3.578 413 2HG1 ILE 53 3HG1 ILE 53 -1.011 -11.317 -3.768 414 1HG2 ILE 53 1HG2 ILE 53 1.719 -10.085 -1.681 415 2HG2 ILE 53 2HG2 ILE 53 0.728 -10.813 -0.410 416 3HG2 ILE 53 3HG2 ILE 53 2.191 -11.633 -0.924 417 1HD1 ILE 53 1HD1 ILE 53 -1.883 -10.809 -1.482 418 2HD1 ILE 53 2HD1 ILE 53 -0.765 -9.430 -1.370 419 3HD1 ILE 53 3HD1 ILE 53 -2.030 -9.440 -2.607 420 H GLY 54 H GLY 54 3.121 -10.705 -2.922 421 1HA GLY 54 2HA GLY 54 4.930 -10.166 -4.296 422 2HA GLY 54 1HA GLY 54 4.013 -10.491 -5.764 423 HA PRO 55 HA PRO 55 4.117 -5.940 -4.395 424 1HB PRO 55 2HB PRO 55 5.961 -4.890 -6.147 425 2HB PRO 55 3HB PRO 55 6.404 -5.669 -4.605 426 1HG PRO 55 2HG PRO 55 6.417 -6.930 -7.348 427 2HG PRO 55 3HG PRO 55 7.693 -6.980 -6.102 428 1HD PRO 55 2HD PRO 55 5.929 -9.030 -6.373 429 2HD PRO 55 3HD PRO 55 6.459 -8.485 -4.754 430 H ARG 56 H ARG 56 4.254 -7.241 -7.713 431 HA ARG 56 HA ARG 56 3.294 -5.035 -9.156 432 1HB ARG 56 2HB ARG 56 2.362 -7.827 -9.881 433 2HB ARG 56 3HB ARG 56 2.801 -6.507 -10.924 434 1HG ARG 56 2HG ARG 56 4.915 -7.199 -11.101 435 2HG ARG 56 3HG ARG 56 5.168 -7.375 -9.386 436 1HD ARG 56 2HD ARG 56 3.922 -9.392 -11.286 437 2HD ARG 56 3HD ARG 56 5.480 -9.492 -10.443 438 HE ARG 56 HE ARG 56 3.039 -9.370 -8.706 439 1HH1 ARG 56 2HH2 ARG 56 5.304 -11.564 -10.333 440 2HH1 ARG 56 1HH2 ARG 56 4.788 -12.935 -9.393 441 1HH2 ARG 56 2HH1 ARG 56 2.359 -11.062 -7.595 442 2HH2 ARG 56 1HH1 ARG 56 3.066 -12.637 -7.703 443 H ASP 57 H ASP 57 1.631 -7.741 -7.713 444 HA ASP 57 HA ASP 57 -1.017 -7.389 -8.357 445 1HB ASP 57 2HB ASP 57 0.098 -8.486 -5.723 446 2HB ASP 57 3HB ASP 57 -1.345 -9.016 -6.583 447 H ILE 58 H ILE 58 0.752 -6.361 -5.444 448 HA ILE 58 HA ILE 58 -1.398 -4.911 -4.221 449 HB ILE 58 HB ILE 58 1.614 -4.926 -3.845 450 1HG1 ILE 58 2HG1 ILE 58 -0.646 -5.916 -2.044 451 2HG1 ILE 58 3HG1 ILE 58 0.117 -6.942 -3.263 452 1HG2 ILE 58 1HG2 ILE 58 -0.495 -3.376 -2.286 453 2HG2 ILE 58 2HG2 ILE 58 1.159 -3.677 -1.714 454 3HG2 ILE 58 3HG2 ILE 58 0.901 -2.706 -3.156 455 1HD1 ILE 58 1HD1 ILE 58 1.549 -5.693 -0.899 456 2HD1 ILE 58 2HD1 ILE 58 1.133 -7.397 -1.147 457 3HD1 ILE 58 3HD1 ILE 58 2.317 -6.611 -2.213 458 H ILE 59 H ILE 59 1.416 -3.704 -6.147 459 HA ILE 59 HA ILE 59 0.704 -0.985 -6.104 460 HB ILE 59 HB ILE 59 2.039 -2.688 -8.229 461 1HG1 ILE 59 2HG1 ILE 59 3.208 -2.408 -6.007 462 2HG1 ILE 59 3HG1 ILE 59 4.107 -1.921 -7.447 463 1HG2 ILE 59 1HG2 ILE 59 1.177 -0.820 -9.455 464 2HG2 ILE 59 2HG2 ILE 59 1.719 0.325 -8.213 465 3HG2 ILE 59 3HG2 ILE 59 2.905 -0.555 -9.202 466 1HD1 ILE 59 1HD1 ILE 59 2.706 -0.038 -5.529 467 2HD1 ILE 59 2HD1 ILE 59 4.440 -0.368 -5.587 468 3HD1 ILE 59 3HD1 ILE 59 3.665 0.453 -6.947 469 H HIS 60 H HIS 60 -0.324 -3.480 -8.500 470 HA HIS 60 HA HIS 60 -2.085 -1.720 -9.865 471 1HB HIS 60 2HB HIS 60 -2.010 -4.743 -9.734 472 2HB HIS 60 3HB HIS 60 -3.051 -3.810 -10.822 473 HD1 HIS 60 1HD HIS 60 -1.092 -1.595 -11.873 474 HD2 HIS 60 2HD HIS 60 -0.118 -5.671 -11.326 475 HE1 HIS 60 1HE HIS 60 0.925 -2.083 -13.355 476 H THR 61 H THR 61 -2.637 -3.726 -6.966 477 HA THR 61 HA THR 61 -5.480 -3.307 -6.904 478 HB THR 61 HB THR 61 -3.596 -3.605 -4.528 479 HG1 THR 61 1HG THR 61 -3.533 -5.337 -6.078 480 1HG2 THR 61 1HG2 THR 61 -6.574 -4.174 -4.791 481 2HG2 THR 61 2HG2 THR 61 -5.561 -4.360 -3.345 482 3HG2 THR 61 3HG2 THR 61 -5.899 -2.749 -3.970 483 H ILE 62 H ILE 62 -2.803 -1.447 -5.278 484 HA ILE 62 HA ILE 62 -4.599 0.521 -4.281 485 HB ILE 62 HB ILE 62 -1.608 0.802 -4.711 486 1HG1 ILE 62 2HG1 ILE 62 -1.741 -1.205 -3.484 487 2HG1 ILE 62 3HG1 ILE 62 -1.481 0.023 -2.278 488 1HG2 ILE 62 1HG2 ILE 62 -1.761 2.263 -2.710 489 2HG2 ILE 62 2HG2 ILE 62 -2.668 2.898 -4.085 490 3HG2 ILE 62 3HG2 ILE 62 -3.527 2.108 -2.740 491 1HD1 ILE 62 1HD1 ILE 62 -3.108 -1.688 -1.628 492 2HD1 ILE 62 2HD1 ILE 62 -3.853 -0.069 -1.641 493 3HD1 ILE 62 3HD1 ILE 62 -4.186 -1.250 -2.929 494 H GLU 63 H GLU 63 -2.829 0.335 -7.357 495 HA GLU 63 HA GLU 63 -3.459 2.853 -8.442 496 1HB GLU 63 2HB GLU 63 -1.906 1.084 -9.331 497 2HB GLU 63 3HB GLU 63 -3.316 0.105 -9.743 498 1HG GLU 63 2HG GLU 63 -4.092 1.832 -11.263 499 2HG GLU 63 3HG GLU 63 -2.668 2.824 -10.884 500 H SER 64 H SER 64 -5.192 -0.282 -8.697 501 HA SER 64 HA SER 64 -7.494 0.629 -9.980 502 1HB SER 64 2HB SER 64 -6.829 -1.705 -9.792 503 2HB SER 64 3HB SER 64 -7.235 -1.714 -8.066 504 HG SER 64 HG SER 64 -9.063 -1.119 -10.161 505 H LEU 65 H LEU 65 -6.819 0.582 -6.455 506 HA LEU 65 HA LEU 65 -9.428 1.399 -5.616 507 1HB LEU 65 2HB LEU 65 -6.735 2.041 -4.356 508 2HB LEU 65 3HB LEU 65 -8.306 2.297 -3.598 509 HG LEU 65 HG LEU 65 -7.099 -0.398 -4.310 510 1HD1 LEU 65 1HD1 LEU 65 -6.986 -0.707 -1.903 511 2HD1 LEU 65 2HD1 LEU 65 -6.132 0.784 -2.339 512 3HD1 LEU 65 3HD1 LEU 65 -7.754 0.872 -1.623 513 1HD2 LEU 65 1HD2 LEU 65 -9.495 -0.602 -4.613 514 2HD2 LEU 65 2HD2 LEU 65 -9.064 -1.323 -3.062 515 3HD2 LEU 65 3HD2 LEU 65 -9.800 0.297 -3.108 516 H GLY 66 H GLY 66 -7.129 3.215 -7.449 517 1HA GLY 66 2HA GLY 66 -7.644 5.207 -8.495 518 2HA GLY 66 1HA GLY 66 -8.904 5.573 -7.308 519 H PHE 67 H PHE 67 -5.498 4.610 -6.757 520 HA PHE 67 HA PHE 67 -4.795 7.351 -5.854 521 1HB PHE 67 2HB PHE 67 -3.894 4.798 -4.496 522 2HB PHE 67 3HB PHE 67 -3.574 6.448 -3.967 523 HD1 PHE 67 1HD PHE 67 -6.148 7.785 -3.962 524 HD2 PHE 67 2HD PHE 67 -5.314 3.667 -3.015 525 HE1 PHE 67 1HE PHE 67 -8.211 7.676 -2.616 526 HE2 PHE 67 2HE PHE 67 -7.350 3.585 -1.606 527 HZ PHE 67 HZ PHE 67 -8.784 5.597 -1.368 528 H GLU 68 H GLU 68 -2.341 7.492 -5.844 529 HA GLU 68 HA GLU 68 -1.429 6.276 -8.387 530 1HB GLU 68 2HB GLU 68 -0.544 8.829 -7.028 531 2HB GLU 68 3HB GLU 68 -0.126 8.288 -8.657 532 1HG GLU 68 2HG GLU 68 -2.505 8.430 -9.334 533 2HG GLU 68 3HG GLU 68 -2.953 8.979 -7.708 534 HA PRO 69 HA PRO 69 1.601 4.528 -5.351 535 1HB PRO 69 2HB PRO 69 1.666 1.935 -6.139 536 2HB PRO 69 3HB PRO 69 0.404 2.603 -5.060 537 1HG PRO 69 2HG PRO 69 0.230 2.211 -8.049 538 2HG PRO 69 3HG PRO 69 -0.926 1.695 -6.782 539 1HD PRO 69 2HD PRO 69 -1.270 3.990 -8.194 540 2HD PRO 69 3HD PRO 69 -1.657 3.910 -6.441 541 H SER 70 H SER 70 3.415 5.370 -5.913 542 HA SER 70 HA SER 70 4.976 4.728 -8.320 543 1HB SER 70 2HB SER 70 5.355 6.859 -7.236 544 2HB SER 70 3HB SER 70 5.536 6.094 -5.649 545 HG SER 70 HG SER 70 7.488 5.373 -6.158 546 H LEU 71 H LEU 71 7.222 3.898 -7.637 547 HA LEU 71 HA LEU 71 7.113 1.413 -5.993 548 1HB LEU 71 2HB LEU 71 9.397 1.058 -6.764 549 2HB LEU 71 3HB LEU 71 8.307 1.233 -8.120 550 HG LEU 71 HG LEU 71 9.593 3.799 -7.263 551 1HD1 LEU 71 1HD1 LEU 71 11.752 3.253 -8.304 552 2HD1 LEU 71 2HD1 LEU 71 11.465 2.265 -6.864 553 3HD1 LEU 71 3HD1 LEU 71 11.251 1.556 -8.481 554 1HD2 LEU 71 1HD2 LEU 71 8.210 3.571 -9.353 555 2HD2 LEU 71 2HD2 LEU 71 9.874 4.075 -9.678 556 3HD2 LEU 71 3HD2 LEU 71 9.385 2.395 -9.965 557 H VAL 72 H VAL 72 9.648 1.619 -4.867 558 HA VAL 72 HA VAL 72 9.335 3.288 -2.601 559 HB VAL 72 HB VAL 72 11.719 2.654 -2.158 560 1HG1 VAL 72 1HG1 VAL 72 9.882 1.359 -1.258 561 2HG1 VAL 72 2HG1 VAL 72 9.748 0.420 -2.762 562 3HG1 VAL 72 3HG1 VAL 72 11.191 0.273 -1.737 563 1HG2 VAL 72 1HG2 VAL 72 12.802 0.927 -3.463 564 2HG2 VAL 72 2HG2 VAL 72 11.458 0.834 -4.604 565 3HG2 VAL 72 3HG2 VAL 72 12.486 2.278 -4.551 566 H LYS 73 H LYS 73 8.815 5.250 -3.775 567 HA LYS 73 HA LYS 73 10.648 6.832 -5.194 568 1HB LYS 73 2HB LYS 73 8.219 7.249 -5.006 569 2HB LYS 73 3HB LYS 73 8.432 7.626 -3.288 570 1HG LYS 73 2HG LYS 73 8.198 9.694 -4.265 571 2HG LYS 73 3HG LYS 73 9.936 9.557 -4.054 572 1HD LYS 73 2HD LYS 73 9.888 8.658 -6.560 573 2HD LYS 73 3HD LYS 73 8.276 9.374 -6.600 574 1HE LYS 73 2HE LYS 73 10.972 10.715 -6.155 575 2HE LYS 73 3HE LYS 73 9.837 11.042 -7.457 576 1HZ LYS 73 1HZ LYS 73 8.522 12.317 -5.985 577 2HZ LYS 73 2HZ LYS 73 9.114 11.568 -4.642 578 3HZ LYS 73 3HZ LYS 73 10.031 12.602 -5.339 579 H ILE 74 H ILE 74 12.232 8.198 -4.624 580 HA ILE 74 HA ILE 74 12.993 8.661 -1.771 581 HB ILE 74 HB ILE 74 14.452 9.202 -4.397 582 1HG1 ILE 74 2HG1 ILE 74 15.083 7.222 -2.158 583 2HG1 ILE 74 3HG1 ILE 74 14.367 6.792 -3.715 584 1HG2 ILE 74 1HG2 ILE 74 14.922 10.940 -2.688 585 2HG2 ILE 74 2HG2 ILE 74 15.361 9.677 -1.522 586 3HG2 ILE 74 3HG2 ILE 74 16.338 9.946 -2.981 587 1HD1 ILE 74 1HD1 ILE 74 17.160 7.897 -3.283 588 2HD1 ILE 74 2HD1 ILE 74 16.687 6.293 -3.852 589 3HD1 ILE 74 3HD1 ILE 74 16.389 7.711 -4.877 590 H GLU 75 H GLU 75 12.323 10.625 -0.976 591 HA GLU 75 HA GLU 75 10.679 12.242 -0.877 592 1HB GLU 75 2HB GLU 75 13.058 13.326 -2.422 593 2HB GLU 75 3HB GLU 75 11.806 14.334 -1.685 594 1HG GLU 75 2HG GLU 75 13.631 14.232 -0.133 595 2HG GLU 75 3HG GLU 75 12.307 13.289 0.553 Start of MODEL 23 1 1H MET 1 H1 MET 1 7.643 -14.386 5.166 2 2H MET 1 H2 MET 1 7.026 -15.680 5.995 3 3H MET 1 H3 MET 1 6.182 -14.274 5.740 4 HA MET 1 HA MET 1 6.917 -14.343 8.019 5 1HB MET 1 2HB MET 1 8.817 -15.897 7.385 6 2HB MET 1 3HB MET 1 9.738 -14.479 6.871 7 1HG MET 1 2HG MET 1 9.784 -13.651 9.171 8 2HG MET 1 3HG MET 1 8.619 -14.886 9.678 9 1HE MET 1 1HE MET 1 11.342 -14.229 11.184 10 2HE MET 1 2HE MET 1 10.177 -15.470 11.720 11 3HE MET 1 3HE MET 1 11.902 -15.878 11.551 12 H GLY 2 H GLY 2 6.457 -12.389 5.593 13 1HA GLY 2 2HA GLY 2 6.599 -10.194 5.160 14 2HA GLY 2 1HA GLY 2 7.266 -9.898 6.773 15 H ASP 3 H ASP 3 9.508 -10.676 7.079 16 HA ASP 3 HA ASP 3 11.539 -9.640 6.759 17 1HB ASP 3 2HB ASP 3 11.631 -12.138 6.709 18 2HB ASP 3 3HB ASP 3 11.672 -12.066 4.936 19 H GLY 4 H GLY 4 10.203 -7.922 5.435 20 1HA GLY 4 2HA GLY 4 11.691 -6.597 3.537 21 2HA GLY 4 1HA GLY 4 10.682 -7.758 2.633 22 H VAL 5 H VAL 5 10.238 -4.994 2.400 23 HA VAL 5 HA VAL 5 7.468 -4.842 3.168 24 HB VAL 5 HB VAL 5 7.568 -2.644 4.182 25 1HG1 VAL 5 1HG1 VAL 5 7.965 -4.549 5.761 26 2HG1 VAL 5 2HG1 VAL 5 9.712 -4.250 5.629 27 3HG1 VAL 5 3HG1 VAL 5 8.649 -3.006 6.299 28 1HG2 VAL 5 1HG2 VAL 5 9.695 -1.492 4.729 29 2HG2 VAL 5 2HG2 VAL 5 10.584 -2.701 3.781 30 3HG2 VAL 5 3HG2 VAL 5 9.423 -1.606 2.994 31 H LEU 6 H LEU 6 6.582 -2.802 1.940 32 HA LEU 6 HA LEU 6 8.546 -1.664 0.068 33 1HB LEU 6 2HB LEU 6 7.340 -3.354 -1.298 34 2HB LEU 6 3HB LEU 6 5.799 -2.589 -0.853 35 HG LEU 6 HG LEU 6 6.404 -0.543 -2.041 36 1HD1 LEU 6 1HD1 LEU 6 8.436 -0.536 -3.527 37 2HD1 LEU 6 2HD1 LEU 6 8.849 -0.459 -1.815 38 3HD1 LEU 6 3HD1 LEU 6 9.014 -1.994 -2.697 39 1HD2 LEU 6 1HD2 LEU 6 6.917 -3.030 -3.722 40 2HD2 LEU 6 2HD2 LEU 6 5.313 -2.448 -3.230 41 3HD2 LEU 6 3HD2 LEU 6 6.321 -1.463 -4.310 42 H GLU 7 H GLU 7 8.382 0.502 0.056 43 HA GLU 7 HA GLU 7 5.992 1.828 1.245 44 1HB GLU 7 2HB GLU 7 8.823 2.855 0.798 45 2HB GLU 7 3HB GLU 7 7.430 3.796 1.376 46 1HG GLU 7 2HG GLU 7 7.236 2.212 3.304 47 2HG GLU 7 3HG GLU 7 8.727 1.422 2.755 48 H LEU 8 H LEU 8 4.609 2.663 -0.208 49 HA LEU 8 HA LEU 8 5.744 3.741 -2.701 50 1HB LEU 8 2HB LEU 8 3.763 2.848 -3.980 51 2HB LEU 8 3HB LEU 8 5.026 1.721 -3.503 52 HG LEU 8 HG LEU 8 3.497 1.020 -1.534 53 1HD1 LEU 8 1HD1 LEU 8 1.492 2.339 -3.428 54 2HD1 LEU 8 2HD1 LEU 8 1.071 1.203 -2.131 55 3HD1 LEU 8 3HD1 LEU 8 1.789 2.763 -1.726 56 1HD2 LEU 8 1HD2 LEU 8 2.858 0.448 -4.444 57 2HD2 LEU 8 2HD2 LEU 8 4.074 -0.379 -3.451 58 3HD2 LEU 8 3HD2 LEU 8 2.355 -0.565 -3.068 59 H VAL 9 H VAL 9 5.023 5.599 -3.362 60 HA VAL 9 HA VAL 9 3.317 7.140 -1.556 61 HB VAL 9 HB VAL 9 5.012 7.732 -3.952 62 1HG1 VAL 9 1HG1 VAL 9 3.923 9.924 -4.317 63 2HG1 VAL 9 2HG1 VAL 9 2.883 8.590 -4.817 64 3HG1 VAL 9 3HG1 VAL 9 2.571 9.436 -3.281 65 1HG2 VAL 9 1HG2 VAL 9 5.649 8.205 -1.554 66 2HG2 VAL 9 2HG2 VAL 9 5.610 9.667 -2.563 67 3HG2 VAL 9 3HG2 VAL 9 4.271 9.326 -1.450 68 H VAL 10 H VAL 10 1.202 7.678 -2.045 69 HA VAL 10 HA VAL 10 0.000 6.536 -4.475 70 HB VAL 10 HB VAL 10 -1.960 5.739 -3.314 71 1HG1 VAL 10 1HG1 VAL 10 -0.982 3.711 -2.308 72 2HG1 VAL 10 2HG1 VAL 10 -0.085 4.151 -3.764 73 3HG1 VAL 10 3HG1 VAL 10 0.580 4.528 -2.161 74 1HG2 VAL 10 1HG2 VAL 10 -1.802 5.264 -0.851 75 2HG2 VAL 10 2HG2 VAL 10 -0.449 6.417 -0.782 76 3HG2 VAL 10 3HG2 VAL 10 -2.085 6.937 -1.309 77 H ARG 11 H ARG 11 -0.545 8.369 -5.544 78 HA ARG 11 HA ARG 11 -1.287 10.795 -4.009 79 1HB ARG 11 2HB ARG 11 -1.286 10.345 -7.015 80 2HB ARG 11 3HB ARG 11 -1.547 11.870 -6.163 81 1HG ARG 11 2HG ARG 11 0.762 11.531 -5.094 82 2HG ARG 11 3HG ARG 11 1.012 10.222 -6.262 83 1HD ARG 11 2HD ARG 11 0.392 13.140 -6.899 84 2HD ARG 11 3HD ARG 11 1.980 12.349 -7.053 85 HE ARG 11 HE ARG 11 0.388 10.757 -8.621 86 1HH1 ARG 11 2HH2 ARG 11 1.272 14.153 -8.653 87 2HH1 ARG 11 1HH2 ARG 11 0.926 14.386 -10.343 88 1HH2 ARG 11 2HH1 ARG 11 -0.221 11.036 -10.794 89 2HH2 ARG 11 1HH1 ARG 11 0.102 12.527 -11.616 90 H GLY 12 H GLY 12 -3.407 11.892 -4.588 91 1HA GLY 12 2HA GLY 12 -5.702 11.825 -5.018 92 2HA GLY 12 1HA GLY 12 -5.644 10.080 -5.296 93 H MET 13 H MET 13 -4.337 9.214 -2.957 94 HA MET 13 HA MET 13 -6.371 9.132 -0.997 95 1HB MET 13 2HB MET 13 -4.579 7.479 -1.269 96 2HB MET 13 3HB MET 13 -3.374 8.688 -0.806 97 1HG MET 13 2HG MET 13 -5.556 8.283 1.161 98 2HG MET 13 3HG MET 13 -4.568 6.860 0.890 99 1HE MET 13 1HE MET 13 -1.569 8.288 0.493 100 2HE MET 13 2HE MET 13 -1.099 7.900 2.152 101 3HE MET 13 3HE MET 13 -2.059 6.738 1.234 102 H THR 14 H THR 14 -7.053 10.771 0.304 103 HA THR 14 HA THR 14 -5.174 12.848 1.270 104 HB THR 14 HB THR 14 -5.831 13.308 -1.127 105 HG1 THR 14 1HG THR 14 -5.233 14.977 0.275 106 1HG2 THR 14 1HG2 THR 14 -8.041 14.075 -1.669 107 2HG2 THR 14 2HG2 THR 14 -8.196 12.452 -0.977 108 3HG2 THR 14 3HG2 THR 14 -8.602 13.881 -0.001 109 H CYS 15 H CYS 15 -7.160 10.788 2.506 110 HA CYS 15 HA CYS 15 -8.246 12.643 4.475 111 1HB CYS 15 2HB CYS 15 -10.040 12.719 2.728 112 2HB CYS 15 3HB CYS 15 -10.139 10.943 2.785 113 HG CYS 15 HG CYS 15 -12.155 11.717 4.108 114 H ALA 16 H ALA 16 -8.742 11.530 6.420 115 HA ALA 16 HA ALA 16 -7.466 9.165 7.120 116 1HB ALA 16 1HB ALA 16 -8.422 10.755 8.730 117 2HB ALA 16 2HB ALA 16 -10.068 10.303 8.226 118 3HB ALA 16 3HB ALA 16 -9.024 9.113 9.031 119 H SER 17 H SER 17 -10.796 9.572 5.789 120 HA SER 17 HA SER 17 -11.674 6.935 5.848 121 1HB SER 17 2HB SER 17 -12.080 8.842 3.505 122 2HB SER 17 3HB SER 17 -13.194 7.618 4.137 123 HG SER 17 HG SER 17 -13.294 8.906 6.072 124 H CYS 18 H CYS 18 -9.714 8.561 3.286 125 HA CYS 18 HA CYS 18 -9.388 6.260 1.559 126 1HB CYS 18 2HB CYS 18 -7.549 8.660 1.936 127 2HB CYS 18 3HB CYS 18 -7.603 7.545 0.560 128 HG CYS 18 HG CYS 18 -10.021 8.173 -0.175 129 H VAL 19 H VAL 19 -7.317 7.658 4.140 130 HA VAL 19 HA VAL 19 -5.205 5.847 3.997 131 HB VAL 19 HB VAL 19 -6.472 7.068 6.497 132 1HG1 VAL 19 1HG1 VAL 19 -4.229 6.753 7.507 133 2HG1 VAL 19 2HG1 VAL 19 -5.028 5.212 7.162 134 3HG1 VAL 19 3HG1 VAL 19 -3.760 5.813 6.076 135 1HG2 VAL 19 1HG2 VAL 19 -4.107 7.959 4.823 136 2HG2 VAL 19 2HG2 VAL 19 -5.716 8.704 4.781 137 3HG2 VAL 19 3HG2 VAL 19 -4.762 8.767 6.270 138 H HIS 20 H HIS 20 -8.082 5.549 6.148 139 HA HIS 20 HA HIS 20 -7.323 2.941 6.877 140 1HB HIS 20 2HB HIS 20 -8.769 3.011 8.458 141 2HB HIS 20 3HB HIS 20 -8.906 4.710 8.038 142 HD1 HIS 20 1HD HIS 20 -11.185 3.174 9.584 143 HD2 HIS 20 2HD HIS 20 -10.956 3.720 5.446 144 HE1 HIS 20 1HE HIS 20 -13.572 2.976 8.699 145 H LYS 21 H LYS 21 -9.045 4.101 4.085 146 HA LYS 21 HA LYS 21 -10.382 1.697 3.396 147 1HB LYS 21 2HB LYS 21 -10.321 4.222 2.291 148 2HB LYS 21 3HB LYS 21 -9.411 3.312 1.103 149 1HG LYS 21 2HG LYS 21 -12.204 2.751 2.169 150 2HG LYS 21 3HG LYS 21 -11.790 3.448 0.591 151 1HD LYS 21 2HD LYS 21 -10.525 1.314 0.056 152 2HD LYS 21 3HD LYS 21 -11.205 0.583 1.510 153 1HE LYS 21 2HE LYS 21 -12.762 1.668 -0.892 154 2HE LYS 21 3HE LYS 21 -12.501 -0.035 -0.492 155 1HZ LYS 21 1HZ LYS 21 -13.769 0.309 1.529 156 2HZ LYS 21 2HZ LYS 21 -14.039 1.884 1.130 157 3HZ LYS 21 3HZ LYS 21 -14.657 0.684 0.197 158 H ILE 22 H ILE 22 -7.181 2.969 2.690 159 HA ILE 22 HA ILE 22 -6.438 0.777 0.930 160 HB ILE 22 HB ILE 22 -4.678 2.770 2.387 161 1HG1 ILE 22 2HG1 ILE 22 -6.092 2.834 -0.279 162 2HG1 ILE 22 3HG1 ILE 22 -6.150 3.979 1.094 163 1HG2 ILE 22 1HG2 ILE 22 -3.016 2.192 0.675 164 2HG2 ILE 22 2HG2 ILE 22 -3.506 0.703 1.489 165 3HG2 ILE 22 3HG2 ILE 22 -4.185 1.104 -0.111 166 1HD1 ILE 22 1HD1 ILE 22 -3.790 4.565 0.670 167 2HD1 ILE 22 2HD1 ILE 22 -3.901 3.650 -0.864 168 3HD1 ILE 22 3HD1 ILE 22 -4.957 5.049 -0.577 169 H GLU 23 H GLU 23 -5.643 1.678 4.333 170 HA GLU 23 HA GLU 23 -4.318 -0.573 5.267 171 1HB GLU 23 2HB GLU 23 -6.585 1.052 6.434 172 2HB GLU 23 3HB GLU 23 -5.784 -0.141 7.383 173 1HG GLU 23 2HG GLU 23 -4.392 2.240 6.072 174 2HG GLU 23 3HG GLU 23 -5.011 2.238 7.727 175 H SER 24 H SER 24 -7.855 -0.163 5.358 176 HA SER 24 HA SER 24 -8.483 -2.726 6.318 177 1HB SER 24 2HB SER 24 -9.990 -0.823 6.439 178 2HB SER 24 3HB SER 24 -10.171 -0.800 4.672 179 HG SER 24 HG SER 24 -11.851 -1.922 5.936 180 H SER 25 H SER 25 -8.479 -1.464 2.966 181 HA SER 25 HA SER 25 -9.380 -3.888 1.777 182 1HB SER 25 2HB SER 25 -9.464 -1.578 0.768 183 2HB SER 25 3HB SER 25 -7.719 -1.706 0.492 184 HG SER 25 HG SER 25 -9.862 -3.135 -0.673 185 H LEU 26 H LEU 26 -6.067 -2.696 2.569 186 HA LEU 26 HA LEU 26 -4.768 -4.804 1.070 187 1HB LEU 26 2HB LEU 26 -3.893 -2.634 2.924 188 2HB LEU 26 3HB LEU 26 -2.898 -4.082 2.832 189 HG LEU 26 HG LEU 26 -2.180 -2.273 1.348 190 1HD1 LEU 26 1HD1 LEU 26 -2.837 -4.879 -0.084 191 2HD1 LEU 26 2HD1 LEU 26 -1.530 -3.739 -0.438 192 3HD1 LEU 26 3HD1 LEU 26 -1.508 -4.649 1.072 193 1HD2 LEU 26 1HD2 LEU 26 -4.365 -1.488 0.480 194 2HD2 LEU 26 2HD2 LEU 26 -3.261 -1.942 -0.824 195 3HD2 LEU 26 3HD2 LEU 26 -4.588 -3.025 -0.378 196 H THR 27 H THR 27 -5.755 -4.344 4.504 197 HA THR 27 HA THR 27 -4.569 -6.739 5.465 198 HB THR 27 HB THR 27 -6.202 -6.419 7.370 199 HG1 THR 27 1HG THR 27 -7.621 -5.094 5.797 200 1HG2 THR 27 1HG2 THR 27 -5.060 -4.433 8.218 201 2HG2 THR 27 2HG2 THR 27 -3.885 -5.436 7.345 202 3HG2 THR 27 3HG2 THR 27 -4.549 -3.973 6.593 203 H LYS 28 H LYS 28 -5.090 -8.067 3.734 204 HA LYS 28 HA LYS 28 -6.925 -10.125 4.157 205 1HB LYS 28 2HB LYS 28 -8.584 -9.957 2.514 206 2HB LYS 28 3HB LYS 28 -8.621 -8.400 3.333 207 1HG LYS 28 2HG LYS 28 -7.175 -7.522 1.451 208 2HG LYS 28 3HG LYS 28 -7.480 -9.047 0.582 209 1HD LYS 28 2HD LYS 28 -9.977 -8.578 0.970 210 2HD LYS 28 3HD LYS 28 -9.508 -6.947 1.449 211 1HE LYS 28 2HE LYS 28 -9.077 -8.275 -1.291 212 2HE LYS 28 3HE LYS 28 -10.266 -7.033 -0.880 213 1HZ LYS 28 1HZ LYS 28 -8.185 -5.675 -0.257 214 2HZ LYS 28 2HZ LYS 28 -7.368 -6.710 -1.209 215 3HZ LYS 28 3HZ LYS 28 -8.583 -5.836 -1.849 216 H HIS 29 H HIS 29 -4.909 -8.268 1.832 217 HA HIS 29 HA HIS 29 -4.553 -10.205 -0.136 218 1HB HIS 29 2HB HIS 29 -2.795 -7.963 0.906 219 2HB HIS 29 3HB HIS 29 -2.287 -9.009 -0.424 220 HD1 HIS 29 1HD HIS 29 -3.176 -8.354 -2.807 221 HD2 HIS 29 2HD HIS 29 -5.420 -6.800 0.389 222 HE1 HIS 29 1HE HIS 29 -5.209 -7.271 -3.810 223 H ARG 30 H ARG 30 -3.790 -12.180 -0.099 224 HA ARG 30 HA ARG 30 -2.838 -13.390 2.271 225 1HB ARG 30 2HB ARG 30 -4.216 -14.485 0.566 226 2HB ARG 30 3HB ARG 30 -2.859 -14.468 -0.575 227 1HG ARG 30 2HG ARG 30 -1.544 -15.923 0.892 228 2HG ARG 30 3HG ARG 30 -2.774 -15.828 2.161 229 1HD ARG 30 2HD ARG 30 -3.180 -16.986 -0.638 230 2HD ARG 30 3HD ARG 30 -2.826 -17.969 0.770 231 HE ARG 30 HE ARG 30 -5.362 -16.792 -0.012 232 1HH1 ARG 30 2HH2 ARG 30 -3.518 -17.851 2.789 233 2HH1 ARG 30 1HH2 ARG 30 -4.893 -18.177 3.798 234 1HH2 ARG 30 2HH1 ARG 30 -7.234 -17.180 1.295 235 2HH2 ARG 30 1HH1 ARG 30 -7.064 -17.767 2.916 236 H GLY 31 H GLY 31 -1.052 -12.061 2.774 237 1HA GLY 31 2HA GLY 31 1.504 -13.083 2.535 238 2HA GLY 31 1HA GLY 31 1.331 -11.982 1.139 239 H ILE 32 H ILE 32 -0.598 -10.214 2.672 240 HA ILE 32 HA ILE 32 1.261 -8.406 3.805 241 HB ILE 32 HB ILE 32 -1.207 -8.279 2.691 242 1HG1 ILE 32 2HG1 ILE 32 0.196 -6.383 2.761 243 2HG1 ILE 32 3HG1 ILE 32 -1.419 -5.973 3.340 244 1HG2 ILE 32 1HG2 ILE 32 -2.825 -7.578 4.330 245 2HG2 ILE 32 2HG2 ILE 32 -2.333 -9.258 4.612 246 3HG2 ILE 32 3HG2 ILE 32 -1.715 -7.953 5.657 247 1HD1 ILE 32 1HD1 ILE 32 0.237 -4.879 4.713 248 2HD1 ILE 32 2HD1 ILE 32 -0.559 -6.115 5.698 249 3HD1 ILE 32 3HD1 ILE 32 1.052 -6.420 5.011 250 H LEU 33 H LEU 33 1.817 -8.067 5.902 251 HA LEU 33 HA LEU 33 0.505 -9.645 8.080 252 1HB LEU 33 2HB LEU 33 3.317 -8.487 7.999 253 2HB LEU 33 3HB LEU 33 2.578 -9.375 9.334 254 HG LEU 33 HG LEU 33 3.228 -10.508 6.571 255 1HD1 LEU 33 1HD1 LEU 33 4.920 -11.803 7.811 256 2HD1 LEU 33 2HD1 LEU 33 5.200 -10.059 7.986 257 3HD1 LEU 33 3HD1 LEU 33 4.471 -10.980 9.317 258 1HD2 LEU 33 1HD2 LEU 33 2.064 -11.863 9.052 259 2HD2 LEU 33 2HD2 LEU 33 1.268 -11.691 7.472 260 3HD2 LEU 33 3HD2 LEU 33 2.693 -12.715 7.625 261 H TYR 34 H TYR 34 1.998 -6.457 7.200 262 HA TYR 34 HA TYR 34 0.007 -5.162 8.988 263 1HB TYR 34 2HB TYR 34 2.019 -5.565 10.370 264 2HB TYR 34 3HB TYR 34 3.016 -4.764 9.181 265 HD1 TYR 34 HD1 TYR 34 3.638 -2.555 9.604 266 HD2 TYR 34 HD2 TYR 34 -0.113 -4.009 11.161 267 HE1 TYR 34 HE1 TYR 34 3.167 -0.325 10.558 268 HE2 TYR 34 HE2 TYR 34 -0.626 -1.748 12.016 269 HH TYR 34 HH TYR 34 -0.036 0.474 11.889 270 H CYS 35 H CYS 35 -0.654 -3.158 8.300 271 HA CYS 35 HA CYS 35 0.526 -2.058 5.780 272 1HB CYS 35 2HB CYS 35 -2.221 -1.503 6.996 273 2HB CYS 35 3HB CYS 35 -1.590 -0.900 5.470 274 HG CYS 35 HG CYS 35 -1.525 -2.953 4.183 275 H SER 36 H SER 36 0.818 0.259 5.804 276 HA SER 36 HA SER 36 -0.177 1.718 8.074 277 1HB SER 36 2HB SER 36 2.411 0.777 8.484 278 2HB SER 36 3HB SER 36 2.681 2.430 7.902 279 HG SER 36 HG SER 36 1.210 1.542 10.152 280 H VAL 37 H VAL 37 -1.391 2.618 6.413 281 HA VAL 37 HA VAL 37 -0.104 4.301 4.428 282 HB VAL 37 HB VAL 37 -2.989 3.803 5.231 283 1HG1 VAL 37 1HG1 VAL 37 -2.701 5.839 3.831 284 2HG1 VAL 37 2HG1 VAL 37 -1.839 4.853 2.622 285 3HG1 VAL 37 3HG1 VAL 37 -3.553 4.549 2.979 286 1HG2 VAL 37 1HG2 VAL 37 -1.669 2.510 2.836 287 2HG2 VAL 37 2HG2 VAL 37 -1.587 1.705 4.398 288 3HG2 VAL 37 3HG2 VAL 37 -3.143 2.046 3.696 289 H ALA 38 H ALA 38 -0.134 6.552 4.349 290 HA ALA 38 HA ALA 38 -1.672 8.010 6.360 291 1HB ALA 38 1HB ALA 38 0.323 7.629 7.706 292 2HB ALA 38 2HB ALA 38 1.355 8.190 6.364 293 3HB ALA 38 3HB ALA 38 0.248 9.330 7.167 294 H LEU 39 H LEU 39 -2.298 9.896 5.638 295 HA LEU 39 HA LEU 39 -1.687 10.679 2.912 296 1HB LEU 39 2HB LEU 39 -3.411 12.284 3.110 297 2HB LEU 39 3HB LEU 39 -3.937 10.775 3.838 298 HG LEU 39 HG LEU 39 -3.098 11.965 6.106 299 1HD1 LEU 39 1HD1 LEU 39 -3.960 14.292 4.310 300 2HD1 LEU 39 2HD1 LEU 39 -3.676 14.374 6.059 301 3HD1 LEU 39 3HD1 LEU 39 -2.328 14.082 4.957 302 1HD2 LEU 39 1HD2 LEU 39 -5.716 12.579 4.684 303 2HD2 LEU 39 2HD2 LEU 39 -5.375 11.122 5.641 304 3HD2 LEU 39 3HD2 LEU 39 -5.430 12.705 6.432 305 H ALA 40 H ALA 40 -0.534 11.687 6.100 306 HA ALA 40 HA ALA 40 0.299 14.320 5.422 307 1HB ALA 40 1HB ALA 40 1.427 12.359 7.470 308 2HB ALA 40 2HB ALA 40 1.725 14.110 7.423 309 3HB ALA 40 3HB ALA 40 0.088 13.500 7.740 310 H THR 41 H THR 41 1.658 11.145 4.833 311 HA THR 41 HA THR 41 4.011 12.344 3.441 312 HB THR 41 HB THR 41 4.687 11.182 5.388 313 HG1 THR 41 1HG THR 41 5.137 10.061 2.895 314 1HG2 THR 41 1HG2 THR 41 2.979 9.840 6.115 315 2HG2 THR 41 2HG2 THR 41 2.808 8.974 4.580 316 3HG2 THR 41 3HG2 THR 41 4.216 8.679 5.631 317 H ASN 42 H ASN 42 1.007 11.252 2.863 318 HA ASN 42 HA ASN 42 -0.103 10.210 1.236 319 1HB ASN 42 2HB ASN 42 1.482 12.397 0.262 320 2HB ASN 42 3HB ASN 42 1.389 11.228 -1.046 321 1HD2 ASN 42 1HD2 ASN 42 -1.009 10.198 -1.292 322 2HD2 ASN 42 2HD2 ASN 42 -2.311 11.333 -0.981 323 H LYS 43 H LYS 43 1.291 8.303 2.337 324 HA LYS 43 HA LYS 43 1.928 6.605 0.008 325 1HB LYS 43 2HB LYS 43 3.969 5.715 1.070 326 2HB LYS 43 3HB LYS 43 4.137 7.431 0.689 327 1HG LYS 43 2HG LYS 43 3.922 8.050 2.949 328 2HG LYS 43 3HG LYS 43 3.293 6.479 3.460 329 1HD LYS 43 2HD LYS 43 5.582 6.762 4.196 330 2HD LYS 43 3HD LYS 43 5.466 5.414 3.058 331 1HE LYS 43 2HE LYS 43 6.428 6.727 1.264 332 2HE LYS 43 3HE LYS 43 6.268 8.236 2.174 333 1HZ LYS 43 1HZ LYS 43 8.033 6.009 2.953 334 2HZ LYS 43 2HZ LYS 43 8.530 7.368 2.188 335 3HZ LYS 43 3HZ LYS 43 7.915 7.443 3.713 336 H ALA 44 H ALA 44 2.082 4.410 0.413 337 HA ALA 44 HA ALA 44 0.814 3.364 2.895 338 1HB ALA 44 1HB ALA 44 0.121 1.427 1.643 339 2HB ALA 44 2HB ALA 44 -0.550 2.870 0.840 340 3HB ALA 44 3HB ALA 44 0.865 2.045 0.167 341 H HIS 45 H HIS 45 2.396 2.447 4.162 342 HA HIS 45 HA HIS 45 4.530 1.017 2.667 343 1HB HIS 45 2HB HIS 45 5.872 0.826 4.376 344 2HB HIS 45 3HB HIS 45 5.245 2.451 4.647 345 HD1 HIS 45 1HD HIS 45 5.439 2.625 7.187 346 HD2 HIS 45 2HD HIS 45 4.286 -1.181 5.847 347 HE1 HIS 45 1HE HIS 45 5.410 1.109 9.231 348 H ILE 46 H ILE 46 4.475 -1.128 2.546 349 HA ILE 46 HA ILE 46 2.287 -2.575 3.966 350 HB ILE 46 HB ILE 46 3.391 -3.292 1.227 351 1HG1 ILE 46 2HG1 ILE 46 0.901 -2.675 0.582 352 2HG1 ILE 46 3HG1 ILE 46 0.997 -1.572 1.957 353 1HG2 ILE 46 1HG2 ILE 46 1.574 -4.873 1.194 354 2HG2 ILE 46 2HG2 ILE 46 2.359 -5.057 2.764 355 3HG2 ILE 46 3HG2 ILE 46 0.847 -4.139 2.635 356 1HD1 ILE 46 1HD1 ILE 46 2.928 -0.424 0.841 357 2HD1 ILE 46 2HD1 ILE 46 2.891 -1.639 -0.451 358 3HD1 ILE 46 3HD1 ILE 46 1.535 -0.513 -0.242 359 H LYS 47 H LYS 47 3.066 -4.046 5.272 360 HA LYS 47 HA LYS 47 5.787 -5.236 4.904 361 1HB LYS 47 2HB LYS 47 4.010 -5.352 7.348 362 2HB LYS 47 3HB LYS 47 5.644 -5.979 7.135 363 1HG LYS 47 2HG LYS 47 6.119 -3.381 6.506 364 2HG LYS 47 3HG LYS 47 4.669 -3.150 7.495 365 1HD LYS 47 2HD LYS 47 5.714 -4.560 9.284 366 2HD LYS 47 3HD LYS 47 7.158 -4.737 8.268 367 1HE LYS 47 2HE LYS 47 7.436 -2.217 8.288 368 2HE LYS 47 3HE LYS 47 6.065 -2.102 9.401 369 1HZ LYS 47 1HZ LYS 47 7.319 -3.391 10.988 370 2HZ LYS 47 2HZ LYS 47 8.599 -3.497 9.953 371 3HZ LYS 47 3HZ LYS 47 8.144 -2.036 10.556 372 H TYR 48 H TYR 48 5.094 -6.565 3.222 373 HA TYR 48 HA TYR 48 3.396 -8.804 3.964 374 1HB TYR 48 2HB TYR 48 2.565 -8.893 1.670 375 2HB TYR 48 3HB TYR 48 2.292 -7.262 2.256 376 HD1 TYR 48 HD1 TYR 48 3.212 -9.025 -0.523 377 HD2 TYR 48 HD2 TYR 48 4.439 -5.557 1.702 378 HE1 TYR 48 HE1 TYR 48 4.104 -8.001 -2.592 379 HE2 TYR 48 HE2 TYR 48 5.641 -4.729 -0.252 380 HH TYR 48 HH TYR 48 5.299 -6.243 -3.481 381 H ASP 49 H ASP 49 4.064 -10.888 2.785 382 HA ASP 49 HA ASP 49 6.969 -11.069 2.405 383 1HB ASP 49 2HB ASP 49 4.625 -12.961 2.198 384 2HB ASP 49 3HB ASP 49 6.180 -13.375 1.455 385 HA PRO 50 HA PRO 50 6.038 -9.281 -1.555 386 1HB PRO 50 2HB PRO 50 8.525 -9.304 -2.789 387 2HB PRO 50 3HB PRO 50 8.003 -8.154 -1.528 388 1HG PRO 50 2HG PRO 50 9.646 -10.666 -1.160 389 2HG PRO 50 3HG PRO 50 9.916 -9.053 -0.453 390 1HD PRO 50 2HD PRO 50 8.707 -11.037 0.957 391 2HD PRO 50 3HD PRO 50 8.169 -9.340 1.109 392 H GLU 51 H GLU 51 8.350 -11.959 -2.142 393 HA GLU 51 HA GLU 51 7.855 -12.131 -4.806 394 1HB GLU 51 2HB GLU 51 8.655 -14.461 -2.999 395 2HB GLU 51 3HB GLU 51 8.922 -14.332 -4.740 396 1HG GLU 51 2HG GLU 51 10.298 -12.244 -4.303 397 2HG GLU 51 3HG GLU 51 10.200 -12.612 -2.567 398 H ILE 52 H ILE 52 6.181 -13.922 -2.294 399 HA ILE 52 HA ILE 52 4.761 -15.791 -3.819 400 HB ILE 52 HB ILE 52 3.012 -15.524 -1.945 401 1HG1 ILE 52 2HG1 ILE 52 5.074 -13.836 -0.556 402 2HG1 ILE 52 3HG1 ILE 52 3.592 -13.227 -1.305 403 1HG2 ILE 52 1HG2 ILE 52 4.465 -16.793 -0.380 404 2HG2 ILE 52 2HG2 ILE 52 4.828 -17.268 -2.039 405 3HG2 ILE 52 3HG2 ILE 52 5.911 -16.150 -1.186 406 1HD1 ILE 52 1HD1 ILE 52 3.022 -13.536 0.920 407 2HD1 ILE 52 2HD1 ILE 52 2.272 -14.893 0.092 408 3HD1 ILE 52 3HD1 ILE 52 3.768 -15.140 1.029 409 H ILE 53 H ILE 53 3.954 -12.431 -3.241 410 HA ILE 53 HA ILE 53 1.431 -12.737 -4.833 411 HB ILE 53 HB ILE 53 1.063 -12.509 -2.467 412 1HG1 ILE 53 2HG1 ILE 53 0.262 -9.854 -3.700 413 2HG1 ILE 53 3HG1 ILE 53 -0.354 -11.383 -4.310 414 1HG2 ILE 53 1HG2 ILE 53 1.623 -10.608 -1.146 415 2HG2 ILE 53 2HG2 ILE 53 3.126 -11.098 -1.920 416 3HG2 ILE 53 3HG2 ILE 53 2.231 -9.704 -2.546 417 1HD1 ILE 53 1HD1 ILE 53 -0.606 -10.373 -1.427 418 2HD1 ILE 53 2HD1 ILE 53 -1.912 -10.457 -2.626 419 3HD1 ILE 53 3HD1 ILE 53 -1.189 -11.949 -2.002 420 H GLY 54 H GLY 54 3.930 -10.451 -3.922 421 1HA GLY 54 2HA GLY 54 5.213 -9.129 -5.262 422 2HA GLY 54 1HA GLY 54 4.206 -9.501 -6.671 423 HA PRO 55 HA PRO 55 3.286 -5.185 -4.802 424 1HB PRO 55 2HB PRO 55 4.608 -3.558 -6.561 425 2HB PRO 55 3HB PRO 55 5.378 -4.267 -5.116 426 1HG PRO 55 2HG PRO 55 5.490 -5.322 -7.953 427 2HG PRO 55 3HG PRO 55 6.856 -5.045 -6.834 428 1HD PRO 55 2HD PRO 55 5.741 -7.508 -7.119 429 2HD PRO 55 3HD PRO 55 6.268 -6.930 -5.512 430 H ARG 56 H ARG 56 3.325 -6.608 -8.038 431 HA ARG 56 HA ARG 56 1.719 -4.874 -9.487 432 1HB ARG 56 2HB ARG 56 2.869 -6.888 -10.345 433 2HB ARG 56 3HB ARG 56 1.652 -7.919 -9.561 434 1HG ARG 56 2HG ARG 56 -0.127 -6.775 -10.929 435 2HG ARG 56 3HG ARG 56 1.133 -5.827 -11.727 436 1HD ARG 56 2HD ARG 56 0.740 -8.859 -11.845 437 2HD ARG 56 3HD ARG 56 0.411 -7.688 -13.102 438 HE ARG 56 HE ARG 56 2.647 -7.346 -13.562 439 1HH1 ARG 56 2HH2 ARG 56 2.333 -9.664 -10.907 440 2HH1 ARG 56 1HH2 ARG 56 3.922 -10.331 -11.088 441 1HH2 ARG 56 2HH1 ARG 56 4.774 -8.188 -13.805 442 2HH2 ARG 56 1HH1 ARG 56 5.350 -9.442 -12.759 443 H ASP 57 H ASP 57 0.616 -7.642 -7.492 444 HA ASP 57 HA ASP 57 -2.167 -7.411 -7.699 445 1HB ASP 57 2HB ASP 57 -1.276 -9.316 -6.626 446 2HB ASP 57 3HB ASP 57 -0.208 -8.358 -5.589 447 H ILE 58 H ILE 58 -0.012 -5.950 -5.273 448 HA ILE 58 HA ILE 58 -1.970 -4.473 -3.890 449 HB ILE 58 HB ILE 58 1.026 -4.049 -4.190 450 1HG1 ILE 58 2HG1 ILE 58 -0.672 -5.276 -1.967 451 2HG1 ILE 58 3HG1 ILE 58 0.199 -6.203 -3.184 452 1HG2 ILE 58 1HG2 ILE 58 -0.945 -2.663 -2.334 453 2HG2 ILE 58 2HG2 ILE 58 0.820 -2.621 -2.130 454 3HG2 ILE 58 3HG2 ILE 58 0.090 -1.905 -3.555 455 1HD1 ILE 58 1HD1 ILE 58 1.491 -6.195 -1.190 456 2HD1 ILE 58 2HD1 ILE 58 2.343 -5.245 -2.429 457 3HD1 ILE 58 3HD1 ILE 58 1.492 -4.429 -1.097 458 H ILE 59 H ILE 59 0.275 -3.228 -6.464 459 HA ILE 59 HA ILE 59 -1.036 -0.683 -6.334 460 HB ILE 59 HB ILE 59 0.229 -0.029 -8.293 461 1HG1 ILE 59 2HG1 ILE 59 2.201 -1.853 -8.699 462 2HG1 ILE 59 3HG1 ILE 59 0.778 -2.906 -8.622 463 1HG2 ILE 59 1HG2 ILE 59 2.324 0.012 -7.164 464 2HG2 ILE 59 2HG2 ILE 59 1.041 0.063 -5.945 465 3HG2 ILE 59 3HG2 ILE 59 1.927 -1.450 -6.225 466 1HD1 ILE 59 1HD1 ILE 59 -0.317 -1.395 -10.345 467 2HD1 ILE 59 2HD1 ILE 59 1.208 -0.488 -10.431 468 3HD1 ILE 59 3HD1 ILE 59 1.164 -2.190 -10.929 469 H HIS 60 H HIS 60 -1.661 -3.503 -8.428 470 HA HIS 60 HA HIS 60 -3.668 -2.275 -10.060 471 1HB HIS 60 2HB HIS 60 -3.309 -5.102 -8.991 472 2HB HIS 60 3HB HIS 60 -4.700 -4.623 -9.956 473 HD1 HIS 60 1HD HIS 60 -4.252 -5.894 -12.135 474 HD2 HIS 60 2HD HIS 60 -0.997 -3.606 -10.773 475 HE1 HIS 60 1HE HIS 60 -2.465 -5.995 -13.956 476 H THR 61 H THR 61 -3.897 -3.865 -6.816 477 HA THR 61 HA THR 61 -6.663 -3.421 -6.483 478 HB THR 61 HB THR 61 -4.510 -3.544 -4.327 479 HG1 THR 61 1HG THR 61 -4.532 -5.377 -5.616 480 1HG2 THR 61 1HG2 THR 61 -6.644 -2.675 -3.418 481 2HG2 THR 61 2HG2 THR 61 -7.519 -4.014 -4.195 482 3HG2 THR 61 3HG2 THR 61 -6.349 -4.337 -2.896 483 H ILE 62 H ILE 62 -3.926 -1.299 -5.447 484 HA ILE 62 HA ILE 62 -5.621 0.678 -4.305 485 HB ILE 62 HB ILE 62 -2.773 0.744 -5.316 486 1HG1 ILE 62 2HG1 ILE 62 -3.994 0.525 -2.501 487 2HG1 ILE 62 3HG1 ILE 62 -3.379 -0.851 -3.414 488 1HG2 ILE 62 1HG2 ILE 62 -3.705 3.065 -5.216 489 2HG2 ILE 62 2HG2 ILE 62 -4.149 2.773 -3.516 490 3HG2 ILE 62 3HG2 ILE 62 -2.449 2.803 -4.035 491 1HD1 ILE 62 1HD1 ILE 62 -1.622 -0.209 -1.992 492 2HD1 ILE 62 2HD1 ILE 62 -1.190 0.370 -3.629 493 3HD1 ILE 62 3HD1 ILE 62 -1.814 1.507 -2.399 494 H GLU 63 H GLU 63 -4.217 0.456 -7.621 495 HA GLU 63 HA GLU 63 -5.238 2.832 -8.715 496 1HB GLU 63 2HB GLU 63 -3.653 1.167 -9.674 497 2HB GLU 63 3HB GLU 63 -4.975 0.041 -9.945 498 1HG GLU 63 2HG GLU 63 -4.877 2.846 -11.141 499 2HG GLU 63 3HG GLU 63 -4.151 1.412 -11.883 500 H SER 64 H SER 64 -6.657 -0.392 -8.330 501 HA SER 64 HA SER 64 -9.178 0.224 -9.497 502 1HB SER 64 2HB SER 64 -8.288 -2.016 -9.267 503 2HB SER 64 3HB SER 64 -8.528 -1.976 -7.508 504 HG SER 64 HG SER 64 -10.244 -2.990 -8.749 505 H LEU 65 H LEU 65 -8.158 0.332 -6.057 506 HA LEU 65 HA LEU 65 -10.677 1.164 -4.962 507 1HB LEU 65 2HB LEU 65 -7.831 1.826 -4.086 508 2HB LEU 65 3HB LEU 65 -9.275 2.209 -3.152 509 HG LEU 65 HG LEU 65 -8.389 -0.614 -3.880 510 1HD1 LEU 65 1HD1 LEU 65 -7.689 -0.804 -1.594 511 2HD1 LEU 65 2HD1 LEU 65 -6.893 0.616 -2.274 512 3HD1 LEU 65 3HD1 LEU 65 -8.291 0.825 -1.200 513 1HD2 LEU 65 1HD2 LEU 65 -10.088 -1.240 -2.124 514 2HD2 LEU 65 2HD2 LEU 65 -10.681 0.433 -2.184 515 3HD2 LEU 65 3HD2 LEU 65 -10.786 -0.613 -3.617 516 H GLY 66 H GLY 66 -7.906 3.020 -6.237 517 1HA GLY 66 2HA GLY 66 -8.580 4.710 -7.910 518 2HA GLY 66 1HA GLY 66 -9.806 5.306 -6.793 519 H PHE 67 H PHE 67 -6.377 4.352 -6.268 520 HA PHE 67 HA PHE 67 -5.653 7.191 -5.800 521 1HB PHE 67 2HB PHE 67 -4.595 4.929 -4.093 522 2HB PHE 67 3HB PHE 67 -4.374 6.651 -3.853 523 HD1 PHE 67 1HD PHE 67 -6.794 7.960 -3.708 524 HD2 PHE 67 2HD PHE 67 -6.218 3.800 -2.787 525 HE1 PHE 67 1HE PHE 67 -8.758 8.026 -2.223 526 HE2 PHE 67 2HE PHE 67 -8.167 3.868 -1.263 527 HZ PHE 67 HZ PHE 67 -9.408 5.990 -0.926 528 H GLU 68 H GLU 68 -3.321 7.470 -6.286 529 HA GLU 68 HA GLU 68 -2.652 5.620 -8.527 530 1HB GLU 68 2HB GLU 68 -3.263 7.998 -9.030 531 2HB GLU 68 3HB GLU 68 -1.893 8.496 -8.036 532 1HG GLU 68 2HG GLU 68 -0.545 6.892 -9.748 533 2HG GLU 68 3HG GLU 68 -1.922 7.287 -10.787 534 HA PRO 69 HA PRO 69 0.697 4.791 -5.679 535 1HB PRO 69 2HB PRO 69 1.279 2.243 -6.302 536 2HB PRO 69 3HB PRO 69 -0.260 2.664 -5.492 537 1HG PRO 69 2HG PRO 69 0.181 2.236 -8.459 538 2HG PRO 69 3HG PRO 69 -1.106 1.535 -7.413 539 1HD PRO 69 2HD PRO 69 -1.505 3.751 -8.938 540 2HD PRO 69 3HD PRO 69 -2.257 3.524 -7.329 541 H SER 70 H SER 70 2.933 4.660 -5.714 542 HA SER 70 HA SER 70 4.429 3.676 -7.982 543 1HB SER 70 2HB SER 70 4.533 6.634 -7.263 544 2HB SER 70 3HB SER 70 5.859 5.810 -8.096 545 HG SER 70 HG SER 70 3.230 5.625 -9.104 546 H LEU 71 H LEU 71 6.326 2.810 -7.167 547 HA LEU 71 HA LEU 71 6.814 2.650 -4.369 548 1HB LEU 71 2HB LEU 71 8.885 1.604 -4.899 549 2HB LEU 71 3HB LEU 71 7.628 1.031 -5.991 550 HG LEU 71 HG LEU 71 8.652 3.123 -7.456 551 1HD1 LEU 71 1HD1 LEU 71 10.465 3.558 -5.810 552 2HD1 LEU 71 2HD1 LEU 71 11.026 1.883 -5.991 553 3HD1 LEU 71 3HD1 LEU 71 11.107 3.008 -7.363 554 1HD2 LEU 71 1HD2 LEU 71 9.681 0.253 -7.413 555 2HD2 LEU 71 2HD2 LEU 71 8.246 0.838 -8.284 556 3HD2 LEU 71 3HD2 LEU 71 9.858 1.398 -8.761 557 H VAL 72 H VAL 72 8.150 3.826 -2.983 558 HA VAL 72 HA VAL 72 8.622 6.595 -3.949 559 HB VAL 72 HB VAL 72 7.281 6.145 -1.896 560 1HG1 VAL 72 1HG1 VAL 72 9.952 5.733 -0.491 561 2HG1 VAL 72 2HG1 VAL 72 8.331 5.715 0.207 562 3HG1 VAL 72 3HG1 VAL 72 8.834 4.413 -0.879 563 1HG2 VAL 72 1HG2 VAL 72 8.211 8.354 -2.445 564 2HG2 VAL 72 2HG2 VAL 72 8.217 8.078 -0.695 565 3HG2 VAL 72 3HG2 VAL 72 9.727 7.938 -1.617 566 H LYS 73 H LYS 73 10.358 3.985 -2.278 567 HA LYS 73 HA LYS 73 12.510 3.410 -2.110 568 1HB LYS 73 2HB LYS 73 12.473 4.028 -4.656 569 2HB LYS 73 3HB LYS 73 13.321 5.485 -4.155 570 1HG LYS 73 2HG LYS 73 14.772 3.338 -2.974 571 2HG LYS 73 3HG LYS 73 14.290 2.755 -4.569 572 1HD LYS 73 2HD LYS 73 15.136 4.879 -5.583 573 2HD LYS 73 3HD LYS 73 15.690 5.415 -4.005 574 1HE LYS 73 2HE LYS 73 16.750 3.042 -5.637 575 2HE LYS 73 3HE LYS 73 17.564 4.567 -5.269 576 1HZ LYS 73 1HZ LYS 73 17.159 3.745 -2.836 577 2HZ LYS 73 2HZ LYS 73 17.228 2.262 -3.531 578 3HZ LYS 73 3HZ LYS 73 18.473 3.358 -3.612 579 H ILE 74 H ILE 74 14.551 4.162 -1.157 580 HA ILE 74 HA ILE 74 14.947 7.015 -0.852 581 HB ILE 74 HB ILE 74 15.964 6.788 1.351 582 1HG1 ILE 74 2HG1 ILE 74 15.062 4.607 2.669 583 2HG1 ILE 74 3HG1 ILE 74 15.277 3.863 1.086 584 1HG2 ILE 74 1HG2 ILE 74 13.979 6.697 2.699 585 2HG2 ILE 74 2HG2 ILE 74 13.598 7.476 1.153 586 3HG2 ILE 74 3HG2 ILE 74 13.098 5.794 1.450 587 1HD1 ILE 74 1HD1 ILE 74 17.285 3.647 2.504 588 2HD1 ILE 74 2HD1 ILE 74 17.672 4.670 1.111 589 3HD1 ILE 74 3HD1 ILE 74 17.362 5.409 2.696 590 H GLU 75 H GLU 75 17.133 7.426 -1.317 591 HA GLU 75 HA GLU 75 18.122 5.890 -3.306 592 1HB GLU 75 2HB GLU 75 19.366 8.034 -1.608 593 2HB GLU 75 3HB GLU 75 20.261 7.291 -2.940 594 1HG GLU 75 2HG GLU 75 18.988 9.417 -3.556 595 2HG GLU 75 3HG GLU 75 18.690 8.007 -4.582 Start of MODEL 24 1 1H MET 1 H1 MET 1 14.246 -15.608 3.592 2 2H MET 1 H2 MET 1 15.744 -15.703 4.337 3 3H MET 1 H3 MET 1 14.459 -14.910 5.046 4 HA MET 1 HA MET 1 15.528 -13.117 4.157 5 1HB MET 1 2HB MET 1 16.133 -14.971 1.805 6 2HB MET 1 3HB MET 1 16.407 -13.224 1.774 7 1HG MET 1 2HG MET 1 17.950 -13.384 3.676 8 2HG MET 1 3HG MET 1 17.733 -15.143 3.730 9 1HE MET 1 1HE MET 1 20.357 -15.438 3.694 10 2HE MET 1 2HE MET 1 21.400 -14.718 2.448 11 3HE MET 1 3HE MET 1 20.559 -13.668 3.610 12 H GLY 2 H GLY 2 14.619 -11.607 2.315 13 1HA GLY 2 2HA GLY 2 12.619 -11.905 0.585 14 2HA GLY 2 1HA GLY 2 11.753 -12.112 2.129 15 H ASP 3 H ASP 3 10.675 -10.064 1.778 16 HA ASP 3 HA ASP 3 12.202 -7.875 2.986 17 1HB ASP 3 2HB ASP 3 11.932 -7.170 0.586 18 2HB ASP 3 3HB ASP 3 10.187 -7.508 0.718 19 H GLY 4 H GLY 4 10.503 -6.385 3.957 20 1HA GLY 4 2HA GLY 4 7.773 -7.262 3.879 21 2HA GLY 4 1HA GLY 4 8.413 -7.469 5.517 22 H VAL 5 H VAL 5 9.185 -4.893 3.057 23 HA VAL 5 HA VAL 5 7.429 -2.974 4.336 24 HB VAL 5 HB VAL 5 10.432 -2.439 4.405 25 1HG1 VAL 5 1HG1 VAL 5 9.741 -0.285 5.459 26 2HG1 VAL 5 2HG1 VAL 5 9.120 -0.391 3.819 27 3HG1 VAL 5 3HG1 VAL 5 8.038 -0.696 5.187 28 1HG2 VAL 5 1HG2 VAL 5 9.819 -3.780 6.353 29 2HG2 VAL 5 2HG2 VAL 5 10.027 -2.109 6.863 30 3HG2 VAL 5 3HG2 VAL 5 8.386 -2.747 6.644 31 H LEU 6 H LEU 6 6.538 -3.350 2.228 32 HA LEU 6 HA LEU 6 7.957 -1.993 -0.005 33 1HB LEU 6 2HB LEU 6 5.833 -3.933 0.149 34 2HB LEU 6 3HB LEU 6 5.206 -2.497 -0.632 35 HG LEU 6 HG LEU 6 6.133 -4.159 -2.193 36 1HD1 LEU 6 1HD1 LEU 6 5.932 -1.811 -2.857 37 2HD1 LEU 6 2HD1 LEU 6 7.565 -1.470 -2.254 38 3HD1 LEU 6 3HD1 LEU 6 7.330 -2.580 -3.618 39 1HD2 LEU 6 1HD2 LEU 6 8.404 -4.676 -2.434 40 2HD2 LEU 6 2HD2 LEU 6 8.952 -3.356 -1.398 41 3HD2 LEU 6 3HD2 LEU 6 8.166 -4.766 -0.679 42 H GLU 7 H GLU 7 8.297 -0.052 1.028 43 HA GLU 7 HA GLU 7 6.062 1.780 1.489 44 1HB GLU 7 2HB GLU 7 9.015 2.137 0.846 45 2HB GLU 7 3HB GLU 7 7.844 3.447 0.821 46 1HG GLU 7 2HG GLU 7 7.283 2.687 3.275 47 2HG GLU 7 3HG GLU 7 8.864 1.885 3.185 48 H LEU 8 H LEU 8 4.827 2.668 -0.125 49 HA LEU 8 HA LEU 8 6.102 3.261 -2.682 50 1HB LEU 8 2HB LEU 8 4.184 2.331 -4.034 51 2HB LEU 8 3HB LEU 8 5.157 1.126 -3.230 52 HG LEU 8 HG LEU 8 3.252 1.332 -1.318 53 1HD1 LEU 8 1HD1 LEU 8 1.972 3.100 -2.571 54 2HD1 LEU 8 2HD1 LEU 8 1.866 1.979 -3.934 55 3HD1 LEU 8 3HD1 LEU 8 1.049 1.595 -2.410 56 1HD2 LEU 8 1HD2 LEU 8 2.125 -0.570 -2.524 57 2HD2 LEU 8 2HD2 LEU 8 3.138 -0.209 -3.937 58 3HD2 LEU 8 3HD2 LEU 8 3.888 -0.729 -2.417 59 H VAL 9 H VAL 9 5.292 5.217 -3.539 60 HA VAL 9 HA VAL 9 3.781 6.883 -1.685 61 HB VAL 9 HB VAL 9 5.278 7.325 -4.217 62 1HG1 VAL 9 1HG1 VAL 9 3.080 9.249 -3.343 63 2HG1 VAL 9 2HG1 VAL 9 4.344 9.571 -4.540 64 3HG1 VAL 9 3HG1 VAL 9 3.125 8.343 -4.871 65 1HG2 VAL 9 1HG2 VAL 9 6.153 9.223 -2.936 66 2HG2 VAL 9 2HG2 VAL 9 4.904 9.032 -1.699 67 3HG2 VAL 9 3HG2 VAL 9 6.169 7.793 -1.881 68 H VAL 10 H VAL 10 1.716 7.618 -2.055 69 HA VAL 10 HA VAL 10 0.077 6.801 -4.350 70 HB VAL 10 HB VAL 10 -1.712 6.377 -2.334 71 1HG1 VAL 10 1HG1 VAL 10 -1.339 5.014 -4.424 72 2HG1 VAL 10 2HG1 VAL 10 -0.148 4.078 -3.486 73 3HG1 VAL 10 3HG1 VAL 10 -1.834 4.170 -2.950 74 1HG2 VAL 10 1HG2 VAL 10 0.732 4.823 -1.452 75 2HG2 VAL 10 2HG2 VAL 10 0.147 6.280 -0.617 76 3HG2 VAL 10 3HG2 VAL 10 -0.891 4.840 -0.727 77 H ARG 11 H ARG 11 -0.332 9.001 -4.824 78 HA ARG 11 HA ARG 11 -1.194 10.800 -2.601 79 1HB ARG 11 2HB ARG 11 -1.109 12.611 -4.089 80 2HB ARG 11 3HB ARG 11 0.382 11.696 -4.262 81 1HG ARG 11 2HG ARG 11 -0.003 11.930 -6.469 82 2HG ARG 11 3HG ARG 11 -1.066 10.538 -6.268 83 1HD ARG 11 2HD ARG 11 -3.003 12.109 -5.975 84 2HD ARG 11 3HD ARG 11 -1.881 13.485 -6.194 85 HE ARG 11 HE ARG 11 -1.514 11.724 -8.359 86 1HH1 ARG 11 2HH2 ARG 11 -3.969 13.931 -7.156 87 2HH1 ARG 11 1HH2 ARG 11 -4.830 14.069 -8.663 88 1HH2 ARG 11 2HH1 ARG 11 -2.730 11.692 -10.292 89 2HH2 ARG 11 1HH1 ARG 11 -4.022 12.829 -10.561 90 H GLY 12 H GLY 12 -3.289 11.922 -2.972 91 1HA GLY 12 2HA GLY 12 -5.488 11.890 -3.990 92 2HA GLY 12 1HA GLY 12 -5.351 10.154 -4.266 93 H MET 13 H MET 13 -3.984 10.279 -1.330 94 HA MET 13 HA MET 13 -6.356 9.616 0.174 95 1HB MET 13 2HB MET 13 -3.459 10.122 0.863 96 2HB MET 13 3HB MET 13 -4.681 9.908 2.126 97 1HG MET 13 2HG MET 13 -5.286 7.731 1.302 98 2HG MET 13 3HG MET 13 -4.121 7.841 -0.023 99 1HE MET 13 1HE MET 13 -1.684 7.378 0.201 100 2HE MET 13 2HE MET 13 -1.479 8.890 1.115 101 3HE MET 13 3HE MET 13 -0.748 7.381 1.713 102 H THR 14 H THR 14 -7.774 11.416 -0.170 103 HA THR 14 HA THR 14 -7.072 14.091 0.537 104 HB THR 14 HB THR 14 -9.632 14.312 0.600 105 HG1 THR 14 1HG THR 14 -10.675 12.422 -0.272 106 1HG2 THR 14 1HG2 THR 14 -8.288 14.752 -1.443 107 2HG2 THR 14 2HG2 THR 14 -8.368 13.030 -1.871 108 3HG2 THR 14 3HG2 THR 14 -9.848 14.008 -1.838 109 H CYS 15 H CYS 15 -8.405 11.378 2.471 110 HA CYS 15 HA CYS 15 -8.030 12.906 4.950 111 1HB CYS 15 2HB CYS 15 -10.262 13.640 3.864 112 2HB CYS 15 3HB CYS 15 -10.824 11.987 4.151 113 HG CYS 15 HG CYS 15 -9.729 14.295 6.231 114 H ALA 16 H ALA 16 -8.838 11.534 6.851 115 HA ALA 16 HA ALA 16 -7.515 9.141 7.051 116 1HB ALA 16 1HB ALA 16 -9.968 10.058 8.593 117 2HB ALA 16 2HB ALA 16 -8.812 8.813 9.113 118 3HB ALA 16 3HB ALA 16 -8.280 10.498 8.944 119 H SER 17 H SER 17 -10.739 9.639 5.691 120 HA SER 17 HA SER 17 -11.826 7.023 5.772 121 1HB SER 17 2HB SER 17 -12.814 7.877 3.530 122 2HB SER 17 3HB SER 17 -13.176 8.819 4.992 123 HG SER 17 HG SER 17 -12.411 10.124 3.206 124 H CYS 18 H CYS 18 -9.911 8.619 3.196 125 HA CYS 18 HA CYS 18 -9.409 6.343 1.581 126 1HB CYS 18 2HB CYS 18 -7.572 8.734 2.074 127 2HB CYS 18 3HB CYS 18 -7.469 7.580 0.732 128 HG CYS 18 HG CYS 18 -9.776 8.078 -0.300 129 H VAL 19 H VAL 19 -7.450 7.632 4.280 130 HA VAL 19 HA VAL 19 -5.337 5.872 4.192 131 HB VAL 19 HB VAL 19 -6.714 7.049 6.638 132 1HG1 VAL 19 1HG1 VAL 19 -3.891 6.000 6.504 133 2HG1 VAL 19 2HG1 VAL 19 -4.678 6.801 7.865 134 3HG1 VAL 19 3HG1 VAL 19 -5.242 5.212 7.341 135 1HG2 VAL 19 1HG2 VAL 19 -4.962 8.778 6.479 136 2HG2 VAL 19 2HG2 VAL 19 -4.368 8.036 4.976 137 3HG2 VAL 19 3HG2 VAL 19 -5.987 8.763 5.039 138 H HIS 20 H HIS 20 -8.329 5.451 6.220 139 HA HIS 20 HA HIS 20 -7.546 2.781 6.894 140 1HB HIS 20 2HB HIS 20 -9.028 2.987 8.460 141 2HB HIS 20 3HB HIS 20 -9.343 4.623 7.918 142 HD1 HIS 20 1HD HIS 20 -11.376 2.361 9.270 143 HD2 HIS 20 2HD HIS 20 -11.256 3.909 5.373 144 HE1 HIS 20 1HE HIS 20 -13.730 2.169 8.324 145 H LYS 21 H LYS 21 -9.291 4.146 4.157 146 HA LYS 21 HA LYS 21 -10.591 1.782 3.346 147 1HB LYS 21 2HB LYS 21 -10.461 4.368 2.352 148 2HB LYS 21 3HB LYS 21 -9.629 3.467 1.098 149 1HG LYS 21 2HG LYS 21 -12.386 2.898 2.263 150 2HG LYS 21 3HG LYS 21 -12.058 3.726 0.730 151 1HD LYS 21 2HD LYS 21 -10.908 1.707 -0.140 152 2HD LYS 21 3HD LYS 21 -11.315 0.809 1.324 153 1HE LYS 21 2HE LYS 21 -13.301 2.020 -0.665 154 2HE LYS 21 3HE LYS 21 -12.858 0.313 -0.551 155 1HZ LYS 21 1HZ LYS 21 -13.779 0.284 1.677 156 2HZ LYS 21 2HZ LYS 21 -14.229 1.861 1.547 157 3HZ LYS 21 3HZ LYS 21 -14.908 0.731 0.570 158 H ILE 22 H ILE 22 -7.372 3.094 2.594 159 HA ILE 22 HA ILE 22 -6.643 0.969 0.763 160 HB ILE 22 HB ILE 22 -4.889 2.913 2.315 161 1HG1 ILE 22 2HG1 ILE 22 -5.617 2.991 -0.628 162 2HG1 ILE 22 3HG1 ILE 22 -6.540 3.869 0.609 163 1HG2 ILE 22 1HG2 ILE 22 -4.346 0.899 0.103 164 2HG2 ILE 22 2HG2 ILE 22 -3.248 2.246 0.399 165 3HG2 ILE 22 3HG2 ILE 22 -3.532 1.055 1.673 166 1HD1 ILE 22 1HD1 ILE 22 -4.556 5.114 1.274 167 2HD1 ILE 22 2HD1 ILE 22 -3.601 4.355 -0.021 168 3HD1 ILE 22 3HD1 ILE 22 -4.970 5.387 -0.424 169 H GLU 23 H GLU 23 -5.840 1.744 4.161 170 HA GLU 23 HA GLU 23 -4.292 -0.463 4.806 171 1HB GLU 23 2HB GLU 23 -5.039 1.696 6.127 172 2HB GLU 23 3HB GLU 23 -6.325 0.674 6.759 173 1HG GLU 23 2HG GLU 23 -3.329 0.140 6.990 174 2HG GLU 23 3HG GLU 23 -4.359 0.825 8.244 175 H SER 24 H SER 24 -7.805 -0.122 5.242 176 HA SER 24 HA SER 24 -8.259 -2.733 6.239 177 1HB SER 24 2HB SER 24 -9.793 -0.853 6.580 178 2HB SER 24 3HB SER 24 -10.217 -0.862 4.855 179 HG SER 24 HG SER 24 -10.583 -3.031 6.656 180 H SER 25 H SER 25 -8.629 -1.349 2.952 181 HA SER 25 HA SER 25 -9.597 -3.679 1.665 182 1HB SER 25 2HB SER 25 -9.649 -1.388 0.730 183 2HB SER 25 3HB SER 25 -7.890 -1.446 0.496 184 HG SER 25 HG SER 25 -8.999 -2.067 -1.407 185 H LEU 26 H LEU 26 -6.246 -2.638 2.465 186 HA LEU 26 HA LEU 26 -5.065 -4.778 0.938 187 1HB LEU 26 2HB LEU 26 -3.991 -2.842 2.941 188 2HB LEU 26 3HB LEU 26 -3.026 -4.210 2.370 189 HG LEU 26 HG LEU 26 -4.467 -2.383 0.459 190 1HD1 LEU 26 1HD1 LEU 26 -1.628 -2.206 1.503 191 2HD1 LEU 26 2HD1 LEU 26 -2.290 -1.200 0.188 192 3HD1 LEU 26 3HD1 LEU 26 -2.964 -1.075 1.830 193 1HD2 LEU 26 1HD2 LEU 26 -2.020 -4.188 0.073 194 2HD2 LEU 26 2HD2 LEU 26 -3.631 -4.557 -0.563 195 3HD2 LEU 26 3HD2 LEU 26 -2.765 -3.160 -1.167 196 H THR 27 H THR 27 -5.788 -4.372 4.456 197 HA THR 27 HA THR 27 -4.570 -6.783 5.272 198 HB THR 27 HB THR 27 -6.148 -6.472 7.282 199 HG1 THR 27 1HG THR 27 -7.610 -5.175 5.725 200 1HG2 THR 27 1HG2 THR 27 -4.442 -4.105 6.382 201 2HG2 THR 27 2HG2 THR 27 -5.000 -4.421 8.029 202 3HG2 THR 27 3HG2 THR 27 -3.863 -5.541 7.253 203 H LYS 28 H LYS 28 -5.231 -8.172 3.575 204 HA LYS 28 HA LYS 28 -7.068 -10.208 4.069 205 1HB LYS 28 2HB LYS 28 -8.703 -9.701 2.193 206 2HB LYS 28 3HB LYS 28 -8.970 -8.925 3.757 207 1HG LYS 28 2HG LYS 28 -8.406 -6.804 2.994 208 2HG LYS 28 3HG LYS 28 -7.502 -7.416 1.609 209 1HD LYS 28 2HD LYS 28 -10.433 -8.090 1.761 210 2HD LYS 28 3HD LYS 28 -10.049 -6.398 1.469 211 1HE LYS 28 2HE LYS 28 -8.738 -8.587 -0.191 212 2HE LYS 28 3HE LYS 28 -10.356 -8.005 -0.603 213 1HZ LYS 28 1HZ LYS 28 -8.244 -6.866 -1.617 214 2HZ LYS 28 2HZ LYS 28 -9.545 -5.934 -1.159 215 3HZ LYS 28 3HZ LYS 28 -8.227 -6.064 -0.207 216 H HIS 29 H HIS 29 -5.343 -8.231 1.606 217 HA HIS 29 HA HIS 29 -5.095 -10.353 -0.326 218 1HB HIS 29 2HB HIS 29 -3.476 -7.859 0.263 219 2HB HIS 29 3HB HIS 29 -2.971 -9.039 -0.957 220 HD1 HIS 29 1HD HIS 29 -4.017 -8.625 -3.312 221 HD2 HIS 29 2HD HIS 29 -6.135 -6.931 -0.098 222 HE1 HIS 29 1HE HIS 29 -6.105 -7.556 -4.299 223 H ARG 30 H ARG 30 -3.886 -12.144 -0.266 224 HA ARG 30 HA ARG 30 -3.176 -13.035 2.334 225 1HB ARG 30 2HB ARG 30 -2.884 -14.380 -0.376 226 2HB ARG 30 3HB ARG 30 -2.671 -15.168 1.194 227 1HG ARG 30 2HG ARG 30 -5.031 -14.524 1.810 228 2HG ARG 30 3HG ARG 30 -5.236 -13.825 0.201 229 1HD ARG 30 2HD ARG 30 -6.198 -16.035 0.222 230 2HD ARG 30 3HD ARG 30 -4.762 -16.023 -0.832 231 HE ARG 30 HE ARG 30 -4.016 -16.789 1.823 232 1HH1 ARG 30 2HH2 ARG 30 -5.778 -18.049 -0.948 233 2HH1 ARG 30 1HH2 ARG 30 -5.446 -19.723 -0.623 234 1HH2 ARG 30 2HH1 ARG 30 -3.528 -19.001 2.299 235 2HH2 ARG 30 1HH1 ARG 30 -4.133 -20.270 1.288 236 H GLY 31 H GLY 31 -1.514 -11.394 2.717 237 1HA GLY 31 2HA GLY 31 1.030 -12.547 3.014 238 2HA GLY 31 1HA GLY 31 1.101 -11.534 1.554 239 H ILE 32 H ILE 32 -0.796 -9.509 2.424 240 HA ILE 32 HA ILE 32 1.080 -7.892 3.874 241 HB ILE 32 HB ILE 32 0.045 -6.758 2.199 242 1HG1 ILE 32 2HG1 ILE 32 -1.109 -4.922 3.089 243 2HG1 ILE 32 3HG1 ILE 32 -1.720 -5.823 4.488 244 1HG2 ILE 32 1HG2 ILE 32 -2.641 -7.798 3.076 245 2HG2 ILE 32 2HG2 ILE 32 -2.375 -6.485 1.895 246 3HG2 ILE 32 3HG2 ILE 32 -1.748 -8.098 1.552 247 1HD1 ILE 32 1HD1 ILE 32 1.255 -5.530 3.943 248 2HD1 ILE 32 2HD1 ILE 32 0.340 -4.202 4.680 249 3HD1 ILE 32 3HD1 ILE 32 0.427 -5.791 5.477 250 H LEU 33 H LEU 33 1.485 -8.340 5.874 251 HA LEU 33 HA LEU 33 -0.599 -9.305 7.703 252 1HB LEU 33 2HB LEU 33 1.210 -9.618 9.285 253 2HB LEU 33 3HB LEU 33 1.469 -10.478 7.777 254 HG LEU 33 HG LEU 33 2.767 -7.801 7.843 255 1HD1 LEU 33 1HD1 LEU 33 3.042 -8.370 10.203 256 2HD1 LEU 33 2HD1 LEU 33 3.699 -9.962 9.758 257 3HD1 LEU 33 3HD1 LEU 33 4.585 -8.481 9.337 258 1HD2 LEU 33 1HD2 LEU 33 4.646 -9.035 6.902 259 2HD2 LEU 33 2HD2 LEU 33 3.900 -10.587 7.330 260 3HD2 LEU 33 3HD2 LEU 33 3.172 -9.568 6.085 261 H TYR 34 H TYR 34 1.306 -6.348 7.198 262 HA TYR 34 HA TYR 34 -0.556 -4.907 8.996 263 1HB TYR 34 2HB TYR 34 1.434 -5.505 10.379 264 2HB TYR 34 3HB TYR 34 2.474 -4.736 9.205 265 HD1 TYR 34 HD1 TYR 34 -0.431 -3.998 11.470 266 HD2 TYR 34 HD2 TYR 34 2.950 -2.401 9.323 267 HE1 TYR 34 HE1 TYR 34 -0.760 -1.793 12.564 268 HE2 TYR 34 HE2 TYR 34 2.706 -0.262 10.517 269 HH TYR 34 HH TYR 34 1.375 1.001 11.915 270 H CYS 35 H CYS 35 -1.373 -3.282 7.731 271 HA CYS 35 HA CYS 35 0.401 -2.036 5.677 272 1HB CYS 35 2HB CYS 35 -1.861 -2.875 4.864 273 2HB CYS 35 3HB CYS 35 -2.605 -1.751 5.999 274 HG CYS 35 HG CYS 35 -0.683 -1.352 3.420 275 H SER 36 H SER 36 0.563 0.272 5.766 276 HA SER 36 HA SER 36 -0.886 1.751 7.801 277 1HB SER 36 2HB SER 36 1.027 0.824 9.113 278 2HB SER 36 3HB SER 36 2.155 1.619 8.000 279 HG SER 36 HG SER 36 0.173 2.888 9.617 280 H VAL 37 H VAL 37 -1.692 3.089 6.136 281 HA VAL 37 HA VAL 37 0.345 4.439 4.473 282 HB VAL 37 HB VAL 37 -1.378 4.935 2.954 283 1HG1 VAL 37 1HG1 VAL 37 -2.175 2.879 2.266 284 2HG1 VAL 37 2HG1 VAL 37 -0.786 2.361 3.238 285 3HG1 VAL 37 3HG1 VAL 37 -2.421 2.256 3.905 286 1HG2 VAL 37 1HG2 VAL 37 -3.108 5.714 4.474 287 2HG2 VAL 37 2HG2 VAL 37 -3.766 4.460 3.417 288 3HG2 VAL 37 3HG2 VAL 37 -3.367 4.055 5.096 289 H ALA 38 H ALA 38 0.174 6.731 4.141 290 HA ALA 38 HA ALA 38 -1.166 8.298 6.261 291 1HB ALA 38 1HB ALA 38 0.944 9.554 6.627 292 2HB ALA 38 2HB ALA 38 0.929 7.909 7.325 293 3HB ALA 38 3HB ALA 38 1.810 8.216 5.811 294 H LEU 39 H LEU 39 -1.847 10.136 5.583 295 HA LEU 39 HA LEU 39 -1.916 10.604 2.749 296 1HB LEU 39 2HB LEU 39 -3.514 12.324 3.228 297 2HB LEU 39 3HB LEU 39 -3.853 10.861 4.142 298 HG LEU 39 HG LEU 39 -2.459 12.225 6.048 299 1HD1 LEU 39 1HD1 LEU 39 -2.190 14.259 4.544 300 2HD1 LEU 39 2HD1 LEU 39 -3.954 14.369 4.458 301 3HD1 LEU 39 3HD1 LEU 39 -3.124 14.587 6.010 302 1HD2 LEU 39 1HD2 LEU 39 -4.665 12.899 6.944 303 2HD2 LEU 39 2HD2 LEU 39 -5.408 12.556 5.366 304 3HD2 LEU 39 3HD2 LEU 39 -4.689 11.242 6.322 305 H ALA 40 H ALA 40 -0.256 12.244 5.475 306 HA ALA 40 HA ALA 40 0.350 14.623 4.026 307 1HB ALA 40 1HB ALA 40 1.956 15.035 5.856 308 2HB ALA 40 2HB ALA 40 0.386 14.496 6.484 309 3HB ALA 40 3HB ALA 40 1.757 13.364 6.427 310 H THR 41 H THR 41 2.149 11.583 4.591 311 HA THR 41 HA THR 41 4.394 12.528 2.915 312 HB THR 41 HB THR 41 4.906 11.306 4.907 313 HG1 THR 41 1HG THR 41 5.424 10.162 2.392 314 1HG2 THR 41 1HG2 THR 41 3.161 9.099 3.790 315 2HG2 THR 41 2HG2 THR 41 4.413 8.830 5.024 316 3HG2 THR 41 3HG2 THR 41 3.081 9.942 5.357 317 H ASN 42 H ASN 42 1.296 11.365 2.319 318 HA ASN 42 HA ASN 42 0.265 10.379 0.570 319 1HB ASN 42 2HB ASN 42 2.680 11.493 -0.943 320 2HB ASN 42 3HB ASN 42 1.231 10.829 -1.691 321 1HD2 ASN 42 1HD2 ASN 42 2.115 13.418 0.759 322 2HD2 ASN 42 2HD2 ASN 42 0.968 14.522 0.067 323 H LYS 43 H LYS 43 1.422 8.465 2.102 324 HA LYS 43 HA LYS 43 2.758 6.676 0.146 325 1HB LYS 43 2HB LYS 43 4.455 8.044 1.528 326 2HB LYS 43 3HB LYS 43 3.915 7.066 2.909 327 1HG LYS 43 2HG LYS 43 4.466 5.004 1.516 328 2HG LYS 43 3HG LYS 43 5.154 6.078 0.295 329 1HD LYS 43 2HD LYS 43 6.062 5.863 3.211 330 2HD LYS 43 3HD LYS 43 6.737 4.983 1.852 331 1HE LYS 43 2HE LYS 43 7.264 7.257 0.755 332 2HE LYS 43 3HE LYS 43 6.843 7.979 2.323 333 1HZ LYS 43 1HZ LYS 43 9.055 6.085 1.736 334 2HZ LYS 43 2HZ LYS 43 9.167 7.605 2.322 335 3HZ LYS 43 3HZ LYS 43 8.558 6.330 3.230 336 H ALA 44 H ALA 44 2.481 4.555 0.366 337 HA ALA 44 HA ALA 44 0.985 3.501 2.714 338 1HB ALA 44 1HB ALA 44 -0.236 3.087 0.620 339 2HB ALA 44 2HB ALA 44 1.235 2.405 -0.110 340 3HB ALA 44 3HB ALA 44 0.449 1.582 1.255 341 H HIS 45 H HIS 45 2.205 2.455 4.114 342 HA HIS 45 HA HIS 45 4.665 1.061 3.184 343 1HB HIS 45 2HB HIS 45 5.512 2.089 4.953 344 2HB HIS 45 3HB HIS 45 3.955 2.577 5.574 345 HD1 HIS 45 1HD HIS 45 4.909 2.229 7.983 346 HD2 HIS 45 2HD HIS 45 4.632 -1.247 5.627 347 HE1 HIS 45 1HE HIS 45 5.244 0.246 9.551 348 H ILE 46 H ILE 46 4.259 -0.950 2.597 349 HA ILE 46 HA ILE 46 2.056 -2.506 3.889 350 HB ILE 46 HB ILE 46 3.546 -2.832 1.296 351 1HG1 ILE 46 2HG1 ILE 46 1.011 -2.595 0.420 352 2HG1 ILE 46 3HG1 ILE 46 0.802 -1.696 1.922 353 1HG2 ILE 46 1HG2 ILE 46 2.191 -4.626 0.653 354 2HG2 ILE 46 2HG2 ILE 46 2.791 -5.005 2.261 355 3HG2 ILE 46 3HG2 ILE 46 1.114 -4.425 2.042 356 1HD1 ILE 46 1HD1 ILE 46 1.299 -0.305 -0.118 357 2HD1 ILE 46 2HD1 ILE 46 2.496 -0.059 1.159 358 3HD1 ILE 46 3HD1 ILE 46 2.883 -1.095 -0.229 359 H LYS 47 H LYS 47 2.746 -3.895 5.337 360 HA LYS 47 HA LYS 47 5.433 -5.179 5.080 361 1HB LYS 47 2HB LYS 47 3.452 -5.547 7.324 362 2HB LYS 47 3HB LYS 47 5.081 -6.205 7.178 363 1HG LYS 47 2HG LYS 47 5.836 -3.670 7.068 364 2HG LYS 47 3HG LYS 47 4.180 -3.360 7.587 365 1HD LYS 47 2HD LYS 47 5.008 -3.599 9.694 366 2HD LYS 47 3HD LYS 47 4.799 -5.325 9.363 367 1HE LYS 47 2HE LYS 47 7.359 -3.663 9.068 368 2HE LYS 47 3HE LYS 47 7.022 -4.850 10.338 369 1HZ LYS 47 1HZ LYS 47 7.333 -5.412 7.461 370 2HZ LYS 47 2HZ LYS 47 8.409 -5.783 8.636 371 3HZ LYS 47 3HZ LYS 47 6.949 -6.548 8.592 372 H TYR 48 H TYR 48 5.164 -6.560 3.363 373 HA TYR 48 HA TYR 48 3.374 -8.790 3.898 374 1HB TYR 48 2HB TYR 48 2.420 -8.889 1.787 375 2HB TYR 48 3HB TYR 48 2.284 -7.185 2.183 376 HD1 TYR 48 HD1 TYR 48 2.362 -8.930 -0.512 377 HD2 TYR 48 HD2 TYR 48 4.988 -6.101 1.388 378 HE1 TYR 48 HE1 TYR 48 3.611 -8.663 -2.627 379 HE2 TYR 48 HE2 TYR 48 6.378 -6.054 -0.637 380 HH TYR 48 HH TYR 48 5.512 -7.838 -3.592 381 H ASP 49 H ASP 49 4.374 -10.827 3.318 382 HA ASP 49 HA ASP 49 7.164 -10.708 2.594 383 1HB ASP 49 2HB ASP 49 5.295 -13.095 2.552 384 2HB ASP 49 3HB ASP 49 7.067 -13.101 2.553 385 HA PRO 50 HA PRO 50 5.942 -9.910 -1.571 386 1HB PRO 50 2HB PRO 50 8.323 -10.219 -2.964 387 2HB PRO 50 3HB PRO 50 7.913 -8.833 -1.919 388 1HG PRO 50 2HG PRO 50 9.579 -11.246 -1.197 389 2HG PRO 50 3HG PRO 50 9.904 -9.530 -0.850 390 1HD PRO 50 2HD PRO 50 8.802 -11.193 1.015 391 2HD PRO 50 3HD PRO 50 8.293 -9.480 0.881 392 H GLU 51 H GLU 51 8.122 -12.735 -1.514 393 HA GLU 51 HA GLU 51 7.734 -13.649 -4.039 394 1HB GLU 51 2HB GLU 51 8.283 -15.270 -1.509 395 2HB GLU 51 3HB GLU 51 8.538 -15.854 -3.155 396 1HG GLU 51 2HG GLU 51 10.226 -14.159 -3.582 397 2HG GLU 51 3HG GLU 51 9.939 -13.383 -2.021 398 H ILE 52 H ILE 52 5.830 -14.543 -1.221 399 HA ILE 52 HA ILE 52 4.329 -16.657 -2.326 400 HB ILE 52 HB ILE 52 2.564 -15.849 -0.603 401 1HG1 ILE 52 2HG1 ILE 52 4.861 -14.189 0.473 402 2HG1 ILE 52 3HG1 ILE 52 3.479 -13.532 -0.417 403 1HG2 ILE 52 1HG2 ILE 52 3.868 -16.930 1.216 404 2HG2 ILE 52 2HG2 ILE 52 4.137 -17.766 -0.313 405 3HG2 ILE 52 3HG2 ILE 52 5.370 -16.651 0.309 406 1HD1 ILE 52 1HD1 ILE 52 3.362 -14.988 2.244 407 2HD1 ILE 52 2HD1 ILE 52 3.039 -13.280 1.911 408 3HD1 ILE 52 3HD1 ILE 52 1.939 -14.520 1.284 409 H ILE 53 H ILE 53 3.733 -13.209 -2.557 410 HA ILE 53 HA ILE 53 1.182 -13.750 -4.047 411 HB ILE 53 HB ILE 53 0.803 -13.049 -1.784 412 1HG1 ILE 53 2HG1 ILE 53 0.114 -10.645 -3.522 413 2HG1 ILE 53 3HG1 ILE 53 -0.540 -12.241 -3.856 414 1HG2 ILE 53 1HG2 ILE 53 2.923 -11.634 -1.476 415 2HG2 ILE 53 2HG2 ILE 53 2.079 -10.366 -2.374 416 3HG2 ILE 53 3HG2 ILE 53 1.422 -10.967 -0.841 417 1HD1 ILE 53 1HD1 ILE 53 -0.831 -10.725 -1.212 418 2HD1 ILE 53 2HD1 ILE 53 -2.096 -10.967 -2.433 419 3HD1 ILE 53 3HD1 ILE 53 -1.461 -12.357 -1.541 420 H GLY 54 H GLY 54 3.760 -11.377 -3.657 421 1HA GLY 54 2HA GLY 54 4.969 -10.416 -5.393 422 2HA GLY 54 1HA GLY 54 3.673 -10.721 -6.557 423 HA PRO 55 HA PRO 55 3.447 -6.369 -4.445 424 1HB PRO 55 2HB PRO 55 4.857 -4.750 -6.152 425 2HB PRO 55 3HB PRO 55 5.613 -5.605 -4.788 426 1HG PRO 55 2HG PRO 55 5.540 -6.454 -7.694 427 2HG PRO 55 3HG PRO 55 6.944 -6.430 -6.591 428 1HD PRO 55 2HD PRO 55 5.532 -8.714 -7.075 429 2HD PRO 55 3HD PRO 55 6.204 -8.364 -5.458 430 H ARG 56 H ARG 56 3.402 -7.351 -7.868 431 HA ARG 56 HA ARG 56 1.933 -5.226 -8.894 432 1HB ARG 56 2HB ARG 56 2.389 -8.083 -9.732 433 2HB ARG 56 3HB ARG 56 1.142 -7.173 -10.584 434 1HG ARG 56 2HG ARG 56 3.899 -5.969 -10.189 435 2HG ARG 56 3HG ARG 56 3.572 -7.092 -11.524 436 1HD ARG 56 2HD ARG 56 1.867 -5.718 -12.450 437 2HD ARG 56 3HD ARG 56 1.805 -4.667 -11.018 438 HE ARG 56 HE ARG 56 4.410 -4.609 -12.204 439 1HH1 ARG 56 2HH2 ARG 56 1.081 -3.473 -12.765 440 2HH1 ARG 56 1HH2 ARG 56 1.556 -1.953 -13.444 441 1HH2 ARG 56 2HH1 ARG 56 5.054 -2.633 -13.240 442 2HH2 ARG 56 1HH1 ARG 56 3.856 -1.515 -13.807 443 H ASP 57 H ASP 57 0.641 -8.159 -7.327 444 HA ASP 57 HA ASP 57 -2.121 -7.844 -7.785 445 1HB ASP 57 2HB ASP 57 -1.260 -9.788 -6.597 446 2HB ASP 57 3HB ASP 57 -0.498 -8.781 -5.371 447 H ILE 58 H ILE 58 -0.260 -6.704 -5.018 448 HA ILE 58 HA ILE 58 -2.207 -5.026 -3.860 449 HB ILE 58 HB ILE 58 0.793 -5.364 -3.662 450 1HG1 ILE 58 2HG1 ILE 58 -1.582 -5.840 -1.796 451 2HG1 ILE 58 3HG1 ILE 58 -0.750 -7.056 -2.770 452 1HG2 ILE 58 1HG2 ILE 58 0.559 -2.987 -3.259 453 2HG2 ILE 58 2HG2 ILE 58 -0.740 -3.280 -2.084 454 3HG2 ILE 58 3HG2 ILE 58 0.920 -3.838 -1.769 455 1HD1 ILE 58 1HD1 ILE 58 0.331 -5.567 -0.377 456 2HD1 ILE 58 2HD1 ILE 58 0.070 -7.305 -0.585 457 3HD1 ILE 58 3HD1 ILE 58 1.366 -6.495 -1.498 458 H ILE 59 H ILE 59 0.556 -4.035 -5.952 459 HA ILE 59 HA ILE 59 -0.179 -1.306 -5.959 460 HB ILE 59 HB ILE 59 1.501 -3.006 -7.800 461 1HG1 ILE 59 2HG1 ILE 59 2.174 -0.728 -5.935 462 2HG1 ILE 59 3HG1 ILE 59 2.262 -2.443 -5.515 463 1HG2 ILE 59 1HG2 ILE 59 0.498 -1.240 -9.259 464 2HG2 ILE 59 2HG2 ILE 59 1.089 -0.013 -8.120 465 3HG2 ILE 59 3HG2 ILE 59 2.224 -1.023 -9.027 466 1HD1 ILE 59 1HD1 ILE 59 4.470 -1.734 -6.071 467 2HD1 ILE 59 2HD1 ILE 59 3.904 -2.769 -7.399 468 3HD1 ILE 59 3HD1 ILE 59 3.947 -0.997 -7.591 469 H HIS 60 H HIS 60 -1.247 -3.906 -8.217 470 HA HIS 60 HA HIS 60 -2.823 -2.159 -9.874 471 1HB HIS 60 2HB HIS 60 -3.105 -5.127 -9.246 472 2HB HIS 60 3HB HIS 60 -4.060 -4.259 -10.448 473 HD1 HIS 60 1HD HIS 60 -2.549 -6.520 -11.652 474 HD2 HIS 60 2HD HIS 60 -0.894 -2.689 -11.094 475 HE1 HIS 60 1HE HIS 60 -0.648 -6.285 -13.342 476 H THR 61 H THR 61 -3.558 -4.007 -6.891 477 HA THR 61 HA THR 61 -6.342 -3.413 -6.849 478 HB THR 61 HB THR 61 -4.476 -3.825 -4.469 479 HG1 THR 61 1HG THR 61 -4.459 -5.575 -5.924 480 1HG2 THR 61 1HG2 THR 61 -6.701 -2.872 -3.832 481 2HG2 THR 61 2HG2 THR 61 -7.492 -4.178 -4.743 482 3HG2 THR 61 3HG2 THR 61 -6.508 -4.549 -3.312 483 H ILE 62 H ILE 62 -3.557 -1.657 -5.357 484 HA ILE 62 HA ILE 62 -5.258 0.423 -4.330 485 HB ILE 62 HB ILE 62 -2.239 0.330 -4.724 486 1HG1 ILE 62 2HG1 ILE 62 -2.675 -1.426 -3.218 487 2HG1 ILE 62 3HG1 ILE 62 -2.361 -0.068 -2.164 488 1HG2 ILE 62 1HG2 ILE 62 -3.974 2.191 -3.047 489 2HG2 ILE 62 2HG2 ILE 62 -2.210 2.027 -2.922 490 3HG2 ILE 62 3HG2 ILE 62 -2.931 2.620 -4.425 491 1HD1 ILE 62 1HD1 ILE 62 -4.927 0.251 -2.058 492 2HD1 ILE 62 2HD1 ILE 62 -5.031 -1.340 -2.862 493 3HD1 ILE 62 3HD1 ILE 62 -4.252 -1.190 -1.294 494 H GLU 63 H GLU 63 -3.474 0.120 -7.386 495 HA GLU 63 HA GLU 63 -3.857 2.716 -8.395 496 1HB GLU 63 2HB GLU 63 -2.408 0.892 -9.284 497 2HB GLU 63 3HB GLU 63 -3.837 -0.022 -9.763 498 1HG GLU 63 2HG GLU 63 -4.461 1.768 -11.301 499 2HG GLU 63 3HG GLU 63 -3.007 2.681 -10.838 500 H SER 64 H SER 64 -5.805 -0.249 -8.841 501 HA SER 64 HA SER 64 -8.077 0.856 -10.048 502 1HB SER 64 2HB SER 64 -7.530 -1.518 -9.891 503 2HB SER 64 3HB SER 64 -7.933 -1.519 -8.161 504 HG SER 64 HG SER 64 -9.670 -2.214 -9.536 505 H LEU 65 H LEU 65 -7.303 0.555 -6.574 506 HA LEU 65 HA LEU 65 -9.804 1.475 -5.604 507 1HB LEU 65 2HB LEU 65 -7.852 0.193 -4.423 508 2HB LEU 65 3HB LEU 65 -7.189 1.801 -4.130 509 HG LEU 65 HG LEU 65 -9.368 2.334 -2.903 510 1HD1 LEU 65 1HD1 LEU 65 -9.815 -0.660 -3.328 511 2HD1 LEU 65 2HD1 LEU 65 -10.688 0.329 -2.144 512 3HD1 LEU 65 3HD1 LEU 65 -10.880 0.654 -3.866 513 1HD2 LEU 65 1HD2 LEU 65 -7.742 -0.059 -1.924 514 2HD2 LEU 65 2HD2 LEU 65 -7.275 1.641 -1.753 515 3HD2 LEU 65 3HD2 LEU 65 -8.705 1.033 -0.906 516 H GLY 66 H GLY 66 -7.391 3.280 -7.234 517 1HA GLY 66 2HA GLY 66 -7.905 5.365 -8.063 518 2HA GLY 66 1HA GLY 66 -9.008 5.694 -6.726 519 H PHE 67 H PHE 67 -5.551 4.702 -6.823 520 HA PHE 67 HA PHE 67 -4.688 7.362 -5.863 521 1HB PHE 67 2HB PHE 67 -3.798 4.770 -4.552 522 2HB PHE 67 3HB PHE 67 -3.312 6.411 -4.112 523 HD1 PHE 67 1HD PHE 67 -5.876 3.820 -3.769 524 HD2 PHE 67 2HD PHE 67 -5.015 7.978 -3.105 525 HE1 PHE 67 1HE PHE 67 -7.829 3.982 -2.246 526 HE2 PHE 67 2HE PHE 67 -7.016 8.154 -1.638 527 HZ PHE 67 HZ PHE 67 -8.358 6.120 -1.123 528 H GLU 68 H GLU 68 -2.120 7.260 -5.933 529 HA GLU 68 HA GLU 68 -1.364 5.850 -8.458 530 1HB GLU 68 2HB GLU 68 -0.362 8.449 -7.298 531 2HB GLU 68 3HB GLU 68 0.236 7.677 -8.771 532 1HG GLU 68 2HG GLU 68 -2.025 7.756 -9.780 533 2HG GLU 68 3HG GLU 68 -2.657 8.554 -8.330 534 HA PRO 69 HA PRO 69 1.181 3.811 -5.184 535 1HB PRO 69 2HB PRO 69 1.012 1.262 -6.113 536 2HB PRO 69 3HB PRO 69 -0.180 2.032 -5.025 537 1HG PRO 69 2HG PRO 69 -0.344 1.781 -8.020 538 2HG PRO 69 3HG PRO 69 -1.585 1.422 -6.770 539 1HD PRO 69 2HD PRO 69 -1.558 3.712 -8.171 540 2HD PRO 69 3HD PRO 69 -2.011 3.691 -6.437 541 H SER 70 H SER 70 3.127 4.642 -5.664 542 HA SER 70 HA SER 70 4.616 3.710 -8.082 543 1HB SER 70 2HB SER 70 5.603 6.119 -7.819 544 2HB SER 70 3HB SER 70 4.016 5.901 -8.580 545 HG SER 70 HG SER 70 3.010 6.463 -6.646 546 H LEU 71 H LEU 71 6.498 2.688 -7.570 547 HA LEU 71 HA LEU 71 7.128 2.316 -4.808 548 1HB LEU 71 2HB LEU 71 7.244 0.718 -6.872 549 2HB LEU 71 3HB LEU 71 8.888 1.324 -7.062 550 HG LEU 71 HG LEU 71 7.638 0.087 -4.571 551 1HD1 LEU 71 1HD1 LEU 71 9.655 -1.044 -6.571 552 2HD1 LEU 71 2HD1 LEU 71 9.119 -1.865 -5.092 553 3HD1 LEU 71 3HD1 LEU 71 7.959 -1.547 -6.395 554 1HD2 LEU 71 1HD2 LEU 71 9.413 1.576 -3.846 555 2HD2 LEU 71 2HD2 LEU 71 9.985 -0.087 -3.711 556 3HD2 LEU 71 3HD2 LEU 71 10.529 0.919 -5.070 557 H VAL 72 H VAL 72 7.487 4.621 -4.418 558 HA VAL 72 HA VAL 72 10.011 5.831 -5.288 559 HB VAL 72 HB VAL 72 7.819 6.744 -3.392 560 1HG1 VAL 72 1HG1 VAL 72 9.875 7.882 -2.707 561 2HG1 VAL 72 2HG1 VAL 72 10.265 8.262 -4.400 562 3HG1 VAL 72 3HG1 VAL 72 8.861 9.008 -3.609 563 1HG2 VAL 72 1HG2 VAL 72 7.285 8.297 -5.263 564 2HG2 VAL 72 2HG2 VAL 72 8.577 7.571 -6.236 565 3HG2 VAL 72 3HG2 VAL 72 7.153 6.614 -5.785 566 H LYS 73 H LYS 73 8.808 4.298 -2.315 567 HA LYS 73 HA LYS 73 9.682 4.035 -0.267 568 1HB LYS 73 2HB LYS 73 12.265 3.642 -1.805 569 2HB LYS 73 3HB LYS 73 12.053 3.342 -0.072 570 1HG LYS 73 2HG LYS 73 9.942 1.929 -1.302 571 2HG LYS 73 3HG LYS 73 11.340 1.685 -2.362 572 1HD LYS 73 2HD LYS 73 12.702 0.878 -0.517 573 2HD LYS 73 3HD LYS 73 11.445 1.314 0.660 574 1HE LYS 73 2HE LYS 73 9.890 -0.324 -0.387 575 2HE LYS 73 3HE LYS 73 11.173 -0.867 -1.474 576 1HZ LYS 73 1HZ LYS 73 10.681 -2.050 0.793 577 2HZ LYS 73 2HZ LYS 73 12.256 -1.893 0.285 578 3HZ LYS 73 3HZ LYS 73 11.602 -0.897 1.424 579 H ILE 74 H ILE 74 12.852 5.272 -0.462 580 HA ILE 74 HA ILE 74 12.042 8.120 -0.257 581 HB ILE 74 HB ILE 74 13.835 6.633 1.721 582 1HG1 ILE 74 2HG1 ILE 74 11.442 6.700 2.340 583 2HG1 ILE 74 3HG1 ILE 74 12.516 7.506 3.474 584 1HG2 ILE 74 1HG2 ILE 74 15.110 8.570 1.133 585 2HG2 ILE 74 2HG2 ILE 74 13.684 9.618 1.175 586 3HG2 ILE 74 3HG2 ILE 74 14.335 8.921 2.677 587 1HD1 ILE 74 1HD1 ILE 74 11.871 9.729 2.560 588 2HD1 ILE 74 2HD1 ILE 74 10.743 8.931 1.441 589 3HD1 ILE 74 3HD1 ILE 74 10.501 8.831 3.199 590 H GLU 75 H GLU 75 14.753 5.955 -0.016 591 HA GLU 75 HA GLU 75 15.311 6.219 -2.817 592 1HB GLU 75 2HB GLU 75 17.364 6.978 -1.433 593 2HB GLU 75 3HB GLU 75 17.364 5.362 -0.711 594 1HG GLU 75 2HG GLU 75 17.737 4.370 -2.938 595 2HG GLU 75 3HG GLU 75 17.626 5.973 -3.688 Start of MODEL 25 1 1H MET 1 H1 MET 1 13.349 -14.069 -0.550 2 2H MET 1 H2 MET 1 14.670 -15.064 -0.651 3 3H MET 1 H3 MET 1 13.180 -15.544 -0.071 4 HA MET 1 HA MET 1 14.949 -15.050 1.689 5 1HB MET 1 2HB MET 1 15.840 -13.094 0.488 6 2HB MET 1 3HB MET 1 14.308 -12.233 0.710 7 1HG MET 1 2HG MET 1 14.612 -12.315 3.168 8 2HG MET 1 3HG MET 1 16.147 -13.165 2.955 9 1HE MET 1 1HE MET 1 17.444 -11.466 0.444 10 2HE MET 1 2HE MET 1 18.386 -10.319 1.414 11 3HE MET 1 3HE MET 1 18.308 -12.028 1.901 12 H GLY 2 H GLY 2 11.876 -13.416 0.701 13 1HA GLY 2 2HA GLY 2 9.905 -13.487 1.717 14 2HA GLY 2 1HA GLY 2 10.534 -14.393 3.107 15 H ASP 3 H ASP 3 8.731 -12.409 3.447 16 HA ASP 3 HA ASP 3 8.137 -10.362 4.175 17 1HB ASP 3 2HB ASP 3 9.528 -11.247 6.158 18 2HB ASP 3 3HB ASP 3 10.744 -10.057 5.674 19 H GLY 4 H GLY 4 9.375 -7.892 4.570 20 1HA GLY 4 2HA GLY 4 11.188 -6.738 3.016 21 2HA GLY 4 1HA GLY 4 10.036 -7.203 1.751 22 H VAL 5 H VAL 5 10.616 -5.021 4.426 23 HA VAL 5 HA VAL 5 7.941 -3.914 4.432 24 HB VAL 5 HB VAL 5 10.447 -2.619 5.550 25 1HG1 VAL 5 1HG1 VAL 5 8.797 -1.580 7.089 26 2HG1 VAL 5 2HG1 VAL 5 8.450 -1.149 5.414 27 3HG1 VAL 5 3HG1 VAL 5 7.472 -2.389 6.213 28 1HG2 VAL 5 1HG2 VAL 5 8.608 -4.748 6.716 29 2HG2 VAL 5 2HG2 VAL 5 10.366 -4.830 6.531 30 3HG2 VAL 5 3HG2 VAL 5 9.665 -3.719 7.712 31 H LEU 6 H LEU 6 7.925 -3.821 2.015 32 HA LEU 6 HA LEU 6 9.391 -1.705 0.679 33 1HB LEU 6 2HB LEU 6 8.476 -3.688 -0.485 34 2HB LEU 6 3HB LEU 6 6.828 -3.156 -0.090 35 HG LEU 6 HG LEU 6 7.159 -1.145 -1.532 36 1HD1 LEU 6 1HD1 LEU 6 9.834 -2.470 -2.195 37 2HD1 LEU 6 2HD1 LEU 6 9.109 -1.118 -3.085 38 3HD1 LEU 6 3HD1 LEU 6 9.627 -0.889 -1.415 39 1HD2 LEU 6 1HD2 LEU 6 7.755 -3.795 -2.897 40 2HD2 LEU 6 2HD2 LEU 6 6.148 -3.210 -2.417 41 3HD2 LEU 6 3HD2 LEU 6 7.069 -2.345 -3.661 42 H GLU 7 H GLU 7 8.459 0.308 -0.127 43 HA GLU 7 HA GLU 7 5.963 1.204 1.152 44 1HB GLU 7 2HB GLU 7 8.407 2.992 0.819 45 2HB GLU 7 3HB GLU 7 6.817 3.370 1.499 46 1HG GLU 7 2HG GLU 7 7.329 1.614 3.302 47 2HG GLU 7 3HG GLU 7 9.001 1.654 2.734 48 H LEU 8 H LEU 8 4.726 2.581 -0.130 49 HA LEU 8 HA LEU 8 5.800 3.506 -2.729 50 1HB LEU 8 2HB LEU 8 3.228 3.096 -3.467 51 2HB LEU 8 3HB LEU 8 4.549 2.052 -3.930 52 HG LEU 8 HG LEU 8 3.075 1.452 -1.378 53 1HD1 LEU 8 1HD1 LEU 8 1.484 0.051 -2.583 54 2HD1 LEU 8 2HD1 LEU 8 1.274 1.760 -2.968 55 3HD1 LEU 8 3HD1 LEU 8 2.078 0.679 -4.131 56 1HD2 LEU 8 1HD2 LEU 8 3.620 -0.908 -2.159 57 2HD2 LEU 8 2HD2 LEU 8 4.373 -0.232 -3.607 58 3HD2 LEU 8 3HD2 LEU 8 5.089 0.073 -2.020 59 H VAL 9 H VAL 9 5.276 5.581 -3.145 60 HA VAL 9 HA VAL 9 3.836 7.096 -1.070 61 HB VAL 9 HB VAL 9 5.436 7.863 -3.516 62 1HG1 VAL 9 1HG1 VAL 9 3.509 9.416 -3.463 63 2HG1 VAL 9 2HG1 VAL 9 3.815 9.739 -1.742 64 3HG1 VAL 9 3HG1 VAL 9 4.995 10.228 -2.966 65 1HG2 VAL 9 1HG2 VAL 9 6.637 7.346 -1.354 66 2HG2 VAL 9 2HG2 VAL 9 6.825 9.033 -1.869 67 3HG2 VAL 9 3HG2 VAL 9 5.684 8.636 -0.573 68 H VAL 10 H VAL 10 1.642 7.103 -1.272 69 HA VAL 10 HA VAL 10 0.499 6.416 -3.924 70 HB VAL 10 HB VAL 10 -1.239 5.255 -3.022 71 1HG1 VAL 10 1HG1 VAL 10 -0.174 3.441 -1.855 72 2HG1 VAL 10 2HG1 VAL 10 1.014 4.100 -3.004 73 3HG1 VAL 10 3HG1 VAL 10 1.117 4.485 -1.271 74 1HG2 VAL 10 1HG2 VAL 10 -1.957 6.483 -1.152 75 2HG2 VAL 10 2HG2 VAL 10 -1.479 4.890 -0.544 76 3HG2 VAL 10 3HG2 VAL 10 -0.377 6.270 -0.308 77 H ARG 11 H ARG 11 -0.192 8.186 -4.903 78 HA ARG 11 HA ARG 11 -1.161 10.536 -3.389 79 1HB ARG 11 2HB ARG 11 -1.974 10.366 -6.210 80 2HB ARG 11 3HB ARG 11 -1.214 11.687 -5.341 81 1HG ARG 11 2HG ARG 11 0.219 9.259 -6.505 82 2HG ARG 11 3HG ARG 11 0.002 10.791 -7.301 83 1HD ARG 11 2HD ARG 11 1.362 10.759 -4.604 84 2HD ARG 11 3HD ARG 11 2.231 10.088 -5.985 85 HE ARG 11 HE ARG 11 1.730 12.870 -5.453 86 1HH1 ARG 11 2HH2 ARG 11 1.989 10.564 -8.217 87 2HH1 ARG 11 1HH2 ARG 11 2.797 11.691 -9.226 88 1HH2 ARG 11 2HH1 ARG 11 2.614 14.408 -6.925 89 2HH2 ARG 11 1HH1 ARG 11 3.039 13.937 -8.539 90 H GLY 12 H GLY 12 -3.461 11.177 -3.449 91 1HA GLY 12 2HA GLY 12 -5.610 10.766 -4.487 92 2HA GLY 12 1HA GLY 12 -5.413 9.035 -4.271 93 H MET 13 H MET 13 -4.226 9.776 -1.425 94 HA MET 13 HA MET 13 -6.638 9.546 0.105 95 1HB MET 13 2HB MET 13 -3.755 10.175 0.665 96 2HB MET 13 3HB MET 13 -4.947 10.593 1.901 97 1HG MET 13 2HG MET 13 -5.723 8.390 2.114 98 2HG MET 13 3HG MET 13 -4.790 7.799 0.730 99 1HE MET 13 1HE MET 13 -1.258 7.459 2.143 100 2HE MET 13 2HE MET 13 -2.464 6.843 1.000 101 3HE MET 13 3HE MET 13 -1.980 8.557 0.934 102 H THR 14 H THR 14 -8.256 11.040 -0.229 103 HA THR 14 HA THR 14 -7.660 13.922 -0.212 104 HB THR 14 HB THR 14 -10.173 14.016 -0.548 105 HG1 THR 14 1HG THR 14 -11.109 11.984 -1.133 106 1HG2 THR 14 1HG2 THR 14 -8.653 12.310 -2.567 107 2HG2 THR 14 2HG2 THR 14 -10.108 13.276 -2.874 108 3HG2 THR 14 3HG2 THR 14 -8.584 14.081 -2.460 109 H CYS 15 H CYS 15 -10.336 12.267 1.324 110 HA CYS 15 HA CYS 15 -10.494 14.381 3.238 111 1HB CYS 15 2HB CYS 15 -12.138 11.832 2.932 112 2HB CYS 15 3HB CYS 15 -12.516 13.151 4.062 113 HG CYS 15 HG CYS 15 -14.074 13.309 2.001 114 H ALA 16 H ALA 16 -10.419 10.877 3.929 115 HA ALA 16 HA ALA 16 -8.467 10.948 5.996 116 1HB ALA 16 1HB ALA 16 -10.057 12.218 7.355 117 2HB ALA 16 2HB ALA 16 -11.370 11.091 6.957 118 3HB ALA 16 3HB ALA 16 -10.004 10.551 7.949 119 H SER 17 H SER 17 -11.695 9.517 5.544 120 HA SER 17 HA SER 17 -11.377 6.977 6.359 121 1HB SER 17 2HB SER 17 -13.496 7.865 5.528 122 2HB SER 17 3HB SER 17 -12.898 7.826 3.852 123 HG SER 17 HG SER 17 -14.187 5.966 4.558 124 H CYS 18 H CYS 18 -10.507 8.081 3.105 125 HA CYS 18 HA CYS 18 -9.415 6.168 1.638 126 1HB CYS 18 2HB CYS 18 -7.939 8.666 2.536 127 2HB CYS 18 3HB CYS 18 -7.576 7.674 1.096 128 HG CYS 18 HG CYS 18 -9.824 8.028 -0.099 129 H VAL 19 H VAL 19 -7.716 7.320 4.614 130 HA VAL 19 HA VAL 19 -5.430 5.662 4.449 131 HB VAL 19 HB VAL 19 -6.993 6.726 6.846 132 1HG1 VAL 19 1HG1 VAL 19 -4.849 6.389 8.104 133 2HG1 VAL 19 2HG1 VAL 19 -5.613 4.866 7.640 134 3HG1 VAL 19 3HG1 VAL 19 -4.224 5.473 6.719 135 1HG2 VAL 19 1HG2 VAL 19 -6.035 8.467 5.316 136 2HG2 VAL 19 2HG2 VAL 19 -5.260 8.450 6.904 137 3HG2 VAL 19 3HG2 VAL 19 -4.436 7.718 5.515 138 H HIS 20 H HIS 20 -8.565 5.015 6.158 139 HA HIS 20 HA HIS 20 -7.705 2.344 6.890 140 1HB HIS 20 2HB HIS 20 -9.203 2.607 8.468 141 2HB HIS 20 3HB HIS 20 -9.576 4.212 7.868 142 HD1 HIS 20 1HD HIS 20 -11.359 1.317 8.868 143 HD2 HIS 20 2HD HIS 20 -11.492 3.844 5.513 144 HE1 HIS 20 1HE HIS 20 -13.667 1.053 7.829 145 H LYS 21 H LYS 21 -9.484 3.893 4.309 146 HA LYS 21 HA LYS 21 -10.837 1.733 3.127 147 1HB LYS 21 2HB LYS 21 -10.529 4.323 2.537 148 2HB LYS 21 3HB LYS 21 -9.340 3.728 1.397 149 1HG LYS 21 2HG LYS 21 -12.249 2.834 1.466 150 2HG LYS 21 3HG LYS 21 -11.612 4.171 0.502 151 1HD LYS 21 2HD LYS 21 -9.925 2.444 -0.478 152 2HD LYS 21 3HD LYS 21 -10.964 1.220 0.252 153 1HE LYS 21 2HE LYS 21 -11.844 1.349 -1.925 154 2HE LYS 21 3HE LYS 21 -12.928 2.390 -1.010 155 1HZ LYS 21 1HZ LYS 21 -10.731 3.230 -2.833 156 2HZ LYS 21 2HZ LYS 21 -12.323 3.448 -3.019 157 3HZ LYS 21 3HZ LYS 21 -11.534 4.276 -1.844 158 H ILE 22 H ILE 22 -7.499 2.901 2.758 159 HA ILE 22 HA ILE 22 -6.639 0.771 0.980 160 HB ILE 22 HB ILE 22 -5.052 2.726 2.680 161 1HG1 ILE 22 2HG1 ILE 22 -5.553 2.696 -0.275 162 2HG1 ILE 22 3HG1 ILE 22 -6.492 3.657 0.888 163 1HG2 ILE 22 1HG2 ILE 22 -4.251 0.906 0.351 164 2HG2 ILE 22 2HG2 ILE 22 -3.148 2.014 1.191 165 3HG2 ILE 22 3HG2 ILE 22 -3.788 0.596 2.026 166 1HD1 ILE 22 1HD1 ILE 22 -4.718 4.905 -0.406 167 2HD1 ILE 22 2HD1 ILE 22 -4.748 5.124 1.339 168 3HD1 ILE 22 3HD1 ILE 22 -3.516 4.077 0.575 169 H GLU 23 H GLU 23 -5.954 1.592 4.407 170 HA GLU 23 HA GLU 23 -4.417 -0.525 5.020 171 1HB GLU 23 2HB GLU 23 -5.329 1.528 6.455 172 2HB GLU 23 3HB GLU 23 -6.494 0.361 7.056 173 1HG GLU 23 2HG GLU 23 -4.979 -0.545 8.435 174 2HG GLU 23 3HG GLU 23 -3.875 -0.865 7.098 175 H SER 24 H SER 24 -7.943 -0.454 5.243 176 HA SER 24 HA SER 24 -8.285 -3.164 6.223 177 1HB SER 24 2HB SER 24 -9.907 -1.328 6.598 178 2HB SER 24 3HB SER 24 -10.290 -1.307 4.866 179 HG SER 24 HG SER 24 -11.742 -2.602 6.119 180 H SER 25 H SER 25 -8.842 -1.591 3.007 181 HA SER 25 HA SER 25 -9.675 -4.014 1.771 182 1HB SER 25 2HB SER 25 -10.154 -1.648 1.042 183 2HB SER 25 3HB SER 25 -8.498 -1.580 0.412 184 HG SER 25 HG SER 25 -9.117 -3.597 -0.751 185 H LEU 26 H LEU 26 -6.505 -2.777 2.438 186 HA LEU 26 HA LEU 26 -5.212 -4.711 0.612 187 1HB LEU 26 2HB LEU 26 -4.202 -2.459 2.333 188 2HB LEU 26 3HB LEU 26 -3.118 -3.764 1.890 189 HG LEU 26 HG LEU 26 -3.054 -1.820 0.400 190 1HD1 LEU 26 1HD1 LEU 26 -2.182 -4.014 -0.266 191 2HD1 LEU 26 2HD1 LEU 26 -3.746 -4.448 -0.987 192 3HD1 LEU 26 3HD1 LEU 26 -2.810 -3.112 -1.658 193 1HD2 LEU 26 1HD2 LEU 26 -5.483 -1.312 0.196 194 2HD2 LEU 26 2HD2 LEU 26 -4.714 -1.526 -1.383 195 3HD2 LEU 26 3HD2 LEU 26 -5.714 -2.817 -0.720 196 H THR 27 H THR 27 -5.467 -4.261 4.237 197 HA THR 27 HA THR 27 -3.897 -6.542 4.801 198 HB THR 27 HB THR 27 -5.435 -6.772 6.846 199 HG1 THR 27 1HG THR 27 -6.291 -4.218 5.992 200 1HG2 THR 27 1HG2 THR 27 -4.382 -4.782 7.929 201 2HG2 THR 27 2HG2 THR 27 -3.233 -5.693 6.930 202 3HG2 THR 27 3HG2 THR 27 -3.914 -4.165 6.329 203 H LYS 28 H LYS 28 -7.288 -6.315 3.911 204 HA LYS 28 HA LYS 28 -8.343 -8.805 3.846 205 1HB LYS 28 2HB LYS 28 -9.361 -6.901 2.786 206 2HB LYS 28 3HB LYS 28 -7.990 -6.731 1.688 207 1HG LYS 28 2HG LYS 28 -9.873 -7.533 0.497 208 2HG LYS 28 3HG LYS 28 -8.578 -8.732 0.479 209 1HD LYS 28 2HD LYS 28 -9.745 -10.028 2.259 210 2HD LYS 28 3HD LYS 28 -11.016 -8.783 2.327 211 1HE LYS 28 2HE LYS 28 -11.567 -9.235 -0.073 212 2HE LYS 28 3HE LYS 28 -10.297 -10.467 -0.133 213 1HZ LYS 28 1HZ LYS 28 -11.516 -11.713 1.522 214 2HZ LYS 28 2HZ LYS 28 -12.699 -10.567 1.576 215 3HZ LYS 28 3HZ LYS 28 -12.453 -11.432 0.200 216 H HIS 29 H HIS 29 -5.618 -7.800 1.675 217 HA HIS 29 HA HIS 29 -5.478 -10.404 0.339 218 1HB HIS 29 2HB HIS 29 -3.722 -7.918 0.272 219 2HB HIS 29 3HB HIS 29 -3.419 -9.397 -0.634 220 HD1 HIS 29 1HD HIS 29 -3.982 -9.088 -3.082 221 HD2 HIS 29 2HD HIS 29 -6.185 -6.686 -0.430 222 HE1 HIS 29 1HE HIS 29 -5.437 -7.637 -4.483 223 H ARG 30 H ARG 30 -5.387 -11.193 2.746 224 HA ARG 30 HA ARG 30 -4.047 -11.679 4.662 225 1HB ARG 30 2HB ARG 30 -3.582 -13.775 2.520 226 2HB ARG 30 3HB ARG 30 -3.467 -14.013 4.272 227 1HG ARG 30 2HG ARG 30 -5.890 -13.268 4.454 228 2HG ARG 30 3HG ARG 30 -5.987 -13.323 2.685 229 1HD ARG 30 2HD ARG 30 -5.274 -15.622 4.550 230 2HD ARG 30 3HD ARG 30 -6.823 -15.405 3.704 231 HE ARG 30 HE ARG 30 -4.904 -15.368 1.696 232 1HH1 ARG 30 2HH2 ARG 30 -5.966 -17.666 4.143 233 2HH1 ARG 30 1HH2 ARG 30 -5.472 -19.086 3.274 234 1HH2 ARG 30 2HH1 ARG 30 -4.224 -17.230 0.495 235 2HH2 ARG 30 1HH1 ARG 30 -4.470 -18.821 1.133 236 H GLY 31 H GLY 31 -1.891 -12.287 1.863 237 1HA GLY 31 2HA GLY 31 0.524 -12.717 3.226 238 2HA GLY 31 1HA GLY 31 0.355 -12.049 1.595 239 H ILE 32 H ILE 32 -0.976 -9.595 2.163 240 HA ILE 32 HA ILE 32 1.144 -8.058 3.487 241 HB ILE 32 HB ILE 32 0.429 -6.952 1.637 242 1HG1 ILE 32 2HG1 ILE 32 -0.449 -4.874 2.305 243 2HG1 ILE 32 3HG1 ILE 32 -1.293 -5.543 3.707 244 1HG2 ILE 32 1HG2 ILE 32 -2.407 -7.587 2.370 245 2HG2 ILE 32 2HG2 ILE 32 -1.980 -6.318 1.195 246 3HG2 ILE 32 3HG2 ILE 32 -1.498 -7.989 0.885 247 1HD1 ILE 32 1HD1 ILE 32 0.712 -5.904 4.876 248 2HD1 ILE 32 2HD1 ILE 32 1.695 -5.832 3.418 249 3HD1 ILE 32 3HD1 ILE 32 0.975 -4.346 4.063 250 H LEU 33 H LEU 33 1.083 -9.010 5.485 251 HA LEU 33 HA LEU 33 -1.304 -9.391 6.988 252 1HB LEU 33 2HB LEU 33 0.070 -10.040 8.810 253 2HB LEU 33 3HB LEU 33 0.765 -10.642 7.310 254 HG LEU 33 HG LEU 33 2.150 -8.279 7.573 255 1HD1 LEU 33 1HD1 LEU 33 1.086 -7.821 9.807 256 2HD1 LEU 33 2HD1 LEU 33 1.780 -9.336 10.408 257 3HD1 LEU 33 3HD1 LEU 33 2.844 -8.011 9.896 258 1HD2 LEU 33 1HD2 LEU 33 3.138 -10.469 7.119 259 2HD2 LEU 33 2HD2 LEU 33 4.013 -9.645 8.419 260 3HD2 LEU 33 3HD2 LEU 33 2.880 -10.957 8.809 261 H TYR 34 H TYR 34 0.891 -6.619 6.765 262 HA TYR 34 HA TYR 34 -1.231 -4.995 7.967 263 1HB TYR 34 2HB TYR 34 0.213 -5.617 9.894 264 2HB TYR 34 3HB TYR 34 1.586 -4.893 9.085 265 HD1 TYR 34 HD1 TYR 34 -2.003 -3.834 9.754 266 HD2 TYR 34 HD2 TYR 34 2.186 -2.835 10.065 267 HE1 TYR 34 HE1 TYR 34 -2.592 -1.484 10.203 268 HE2 TYR 34 HE2 TYR 34 1.570 -0.533 10.727 269 HH TYR 34 HH TYR 34 -1.736 0.675 10.130 270 H CYS 35 H CYS 35 -1.644 -3.724 6.286 271 HA CYS 35 HA CYS 35 0.529 -2.247 4.893 272 1HB CYS 35 2HB CYS 35 -1.567 -2.948 3.620 273 2HB CYS 35 3HB CYS 35 -2.490 -1.866 4.677 274 HG CYS 35 HG CYS 35 -1.993 -0.874 2.300 275 H SER 36 H SER 36 0.944 -0.069 5.476 276 HA SER 36 HA SER 36 -0.594 1.042 7.799 277 1HB SER 36 2HB SER 36 1.701 -0.099 8.312 278 2HB SER 36 3HB SER 36 2.383 1.304 7.491 279 HG SER 36 HG SER 36 0.585 1.416 9.699 280 H VAL 37 H VAL 37 -1.715 2.566 6.590 281 HA VAL 37 HA VAL 37 -0.312 4.075 4.538 282 HB VAL 37 HB VAL 37 -3.242 3.825 5.275 283 1HG1 VAL 37 1HG1 VAL 37 -2.509 5.577 3.599 284 2HG1 VAL 37 2HG1 VAL 37 -1.866 4.253 2.589 285 3HG1 VAL 37 3HG1 VAL 37 -3.598 4.331 2.979 286 1HG2 VAL 37 1HG2 VAL 37 -2.226 1.483 4.923 287 2HG2 VAL 37 2HG2 VAL 37 -3.423 1.958 3.781 288 3HG2 VAL 37 3HG2 VAL 37 -1.706 2.051 3.329 289 H ALA 38 H ALA 38 -0.191 6.357 4.520 290 HA ALA 38 HA ALA 38 -1.680 7.899 6.552 291 1HB ALA 38 1HB ALA 38 1.342 7.787 6.516 292 2HB ALA 38 2HB ALA 38 0.374 9.054 7.322 293 3HB ALA 38 3HB ALA 38 0.260 7.360 7.858 294 H LEU 39 H LEU 39 -2.169 9.864 5.928 295 HA LEU 39 HA LEU 39 -1.790 10.485 3.122 296 1HB LEU 39 2HB LEU 39 -3.513 12.097 3.387 297 2HB LEU 39 3HB LEU 39 -3.949 10.605 4.209 298 HG LEU 39 HG LEU 39 -2.946 11.914 6.352 299 1HD1 LEU 39 1HD1 LEU 39 -4.086 14.135 4.580 300 2HD1 LEU 39 2HD1 LEU 39 -3.599 14.287 6.278 301 3HD1 LEU 39 3HD1 LEU 39 -2.380 14.008 5.031 302 1HD2 LEU 39 1HD2 LEU 39 -5.272 12.592 6.846 303 2HD2 LEU 39 2HD2 LEU 39 -5.710 12.325 5.145 304 3HD2 LEU 39 3HD2 LEU 39 -5.199 10.960 6.162 305 H ALA 40 H ALA 40 -0.565 11.824 6.175 306 HA ALA 40 HA ALA 40 0.248 14.367 5.199 307 1HB ALA 40 1HB ALA 40 0.096 13.816 7.598 308 2HB ALA 40 2HB ALA 40 1.428 12.649 7.432 309 3HB ALA 40 3HB ALA 40 1.725 14.382 7.178 310 H THR 41 H THR 41 1.791 11.186 5.287 311 HA THR 41 HA THR 41 4.114 12.167 3.703 312 HB THR 41 HB THR 41 4.595 10.856 5.659 313 HG1 THR 41 1HG THR 41 5.097 9.839 3.097 314 1HG2 THR 41 1HG2 THR 41 2.696 9.517 6.035 315 2HG2 THR 41 2HG2 THR 41 2.828 8.698 4.462 316 3HG2 THR 41 3HG2 THR 41 4.037 8.413 5.730 317 H ASN 42 H ASN 42 1.001 11.062 3.159 318 HA ASN 42 HA ASN 42 -0.079 9.816 1.616 319 1HB ASN 42 2HB ASN 42 0.611 10.621 -0.826 320 2HB ASN 42 3HB ASN 42 -0.334 11.573 0.301 321 1HD2 ASN 42 1HD2 ASN 42 0.895 13.054 1.780 322 2HD2 ASN 42 2HD2 ASN 42 2.187 13.987 1.038 323 H LYS 43 H LYS 43 1.259 8.111 2.731 324 HA LYS 43 HA LYS 43 2.722 6.541 0.678 325 1HB LYS 43 2HB LYS 43 4.089 7.913 2.616 326 2HB LYS 43 3HB LYS 43 3.703 6.430 3.505 327 1HG LYS 43 2HG LYS 43 4.638 5.272 1.301 328 2HG LYS 43 3HG LYS 43 5.361 6.856 1.004 329 1HD LYS 43 2HD LYS 43 5.795 4.886 3.271 330 2HD LYS 43 3HD LYS 43 6.955 5.449 2.048 331 1HE LYS 43 2HE LYS 43 7.028 7.677 3.092 332 2HE LYS 43 3HE LYS 43 5.895 7.132 4.345 333 1HZ LYS 43 1HZ LYS 43 8.522 5.876 3.801 334 2HZ LYS 43 2HZ LYS 43 8.203 6.881 5.097 335 3HZ LYS 43 3HZ LYS 43 7.516 5.369 4.889 336 H ALA 44 H ALA 44 2.651 4.341 0.924 337 HA ALA 44 HA ALA 44 1.231 3.219 3.293 338 1HB ALA 44 1HB ALA 44 1.333 2.120 0.453 339 2HB ALA 44 2HB ALA 44 0.731 1.247 1.875 340 3HB ALA 44 3HB ALA 44 -0.114 2.703 1.307 341 H HIS 45 H HIS 45 2.660 2.118 4.546 342 HA HIS 45 HA HIS 45 5.055 0.921 3.232 343 1HB HIS 45 2HB HIS 45 6.233 0.787 5.087 344 2HB HIS 45 3HB HIS 45 5.403 2.306 5.383 345 HD1 HIS 45 1HD HIS 45 5.016 2.355 7.917 346 HD2 HIS 45 2HD HIS 45 4.755 -1.509 6.270 347 HE1 HIS 45 1HE HIS 45 4.716 0.742 9.861 348 H ILE 46 H ILE 46 5.200 -1.342 3.240 349 HA ILE 46 HA ILE 46 2.625 -2.740 3.841 350 HB ILE 46 HB ILE 46 4.587 -3.055 1.603 351 1HG1 ILE 46 2HG1 ILE 46 2.293 -2.336 0.306 352 2HG1 ILE 46 3HG1 ILE 46 1.999 -1.484 1.821 353 1HG2 ILE 46 1HG2 ILE 46 3.355 -5.100 2.183 354 2HG2 ILE 46 2HG2 ILE 46 1.836 -4.272 1.739 355 3HG2 ILE 46 3HG2 ILE 46 3.101 -4.548 0.525 356 1HD1 ILE 46 1HD1 ILE 46 4.146 -0.240 1.459 357 2HD1 ILE 46 2HD1 ILE 46 4.450 -1.208 0.013 358 3HD1 ILE 46 3HD1 ILE 46 3.052 -0.101 0.095 359 H LYS 47 H LYS 47 2.894 -4.140 5.367 360 HA LYS 47 HA LYS 47 5.393 -5.753 5.722 361 1HB LYS 47 2HB LYS 47 2.805 -5.771 7.289 362 2HB LYS 47 3HB LYS 47 4.213 -6.765 7.618 363 1HG LYS 47 2HG LYS 47 4.211 -3.715 7.688 364 2HG LYS 47 3HG LYS 47 3.985 -4.785 9.083 365 1HD LYS 47 2HD LYS 47 6.190 -5.896 8.530 366 2HD LYS 47 3HD LYS 47 6.480 -4.620 7.346 367 1HE LYS 47 2HE LYS 47 5.946 -4.144 10.329 368 2HE LYS 47 3HE LYS 47 7.559 -4.309 9.627 369 1HZ LYS 47 1HZ LYS 47 5.638 -2.167 8.881 370 2HZ LYS 47 2HZ LYS 47 6.939 -2.021 9.865 371 3HZ LYS 47 3HZ LYS 47 7.148 -2.391 8.284 372 H TYR 48 H TYR 48 5.265 -6.702 3.628 373 HA TYR 48 HA TYR 48 3.309 -8.918 3.457 374 1HB TYR 48 2HB TYR 48 2.938 -8.705 1.192 375 2HB TYR 48 3HB TYR 48 2.715 -7.080 1.753 376 HD1 TYR 48 HD1 TYR 48 3.762 -8.738 -0.963 377 HD2 TYR 48 HD2 TYR 48 5.494 -5.928 1.819 378 HE1 TYR 48 HE1 TYR 48 5.541 -8.219 -2.572 379 HE2 TYR 48 HE2 TYR 48 7.288 -5.478 0.219 380 HH TYR 48 HH TYR 48 7.507 -7.069 -2.959 381 H ASP 49 H ASP 49 4.066 -10.605 1.950 382 HA ASP 49 HA ASP 49 7.013 -10.902 2.050 383 1HB ASP 49 2HB ASP 49 5.720 -12.562 3.340 384 2HB ASP 49 3HB ASP 49 4.916 -13.072 1.844 385 HA PRO 50 HA PRO 50 6.405 -10.327 -2.368 386 1HB PRO 50 2HB PRO 50 8.978 -10.561 -3.255 387 2HB PRO 50 3HB PRO 50 8.417 -9.165 -2.289 388 1HG PRO 50 2HG PRO 50 9.839 -11.641 -1.271 389 2HG PRO 50 3HG PRO 50 10.250 -9.933 -0.943 390 1HD PRO 50 2HD PRO 50 8.770 -11.406 0.779 391 2HD PRO 50 3HD PRO 50 8.373 -9.675 0.489 392 H GLU 51 H GLU 51 7.559 -13.318 -0.896 393 HA GLU 51 HA GLU 51 7.798 -14.669 -3.531 394 1HB GLU 51 2HB GLU 51 8.761 -15.259 -0.720 395 2HB GLU 51 3HB GLU 51 8.872 -16.440 -2.032 396 1HG GLU 51 2HG GLU 51 10.414 -15.191 -3.257 397 2HG GLU 51 3HG GLU 51 9.909 -13.651 -2.565 398 H ILE 52 H ILE 52 5.264 -13.906 -1.794 399 HA ILE 52 HA ILE 52 3.884 -16.328 -2.808 400 HB ILE 52 HB ILE 52 2.111 -15.851 -0.993 401 1HG1 ILE 52 2HG1 ILE 52 4.407 -15.190 0.832 402 2HG1 ILE 52 3HG1 ILE 52 3.724 -13.845 -0.060 403 1HG2 ILE 52 1HG2 ILE 52 3.160 -17.517 0.494 404 2HG2 ILE 52 2HG2 ILE 52 3.343 -17.944 -1.213 405 3HG2 ILE 52 3HG2 ILE 52 4.717 -17.265 -0.320 406 1HD1 ILE 52 1HD1 ILE 52 2.616 -14.065 2.112 407 2HD1 ILE 52 2HD1 ILE 52 1.458 -14.363 0.804 408 3HD1 ILE 52 3HD1 ILE 52 2.129 -15.725 1.728 409 H ILE 53 H ILE 53 2.438 -13.463 -1.365 410 HA ILE 53 HA ILE 53 0.668 -13.072 -3.494 411 HB ILE 53 HB ILE 53 0.112 -12.324 -1.335 412 1HG1 ILE 53 2HG1 ILE 53 0.567 -9.751 -2.904 413 2HG1 ILE 53 3HG1 ILE 53 -0.616 -10.975 -3.384 414 1HG2 ILE 53 1HG2 ILE 53 2.373 -11.785 -0.401 415 2HG2 ILE 53 2HG2 ILE 53 2.393 -10.324 -1.407 416 3HG2 ILE 53 3HG2 ILE 53 1.225 -10.502 -0.103 417 1HD1 ILE 53 1HD1 ILE 53 -1.751 -10.764 -1.221 418 2HD1 ILE 53 2HD1 ILE 53 -0.590 -9.524 -0.694 419 3HD1 ILE 53 3HD1 ILE 53 -1.651 -9.192 -2.055 420 H GLY 54 H GLY 54 3.656 -11.263 -2.774 421 1HA GLY 54 2HA GLY 54 5.143 -10.340 -4.299 422 2HA GLY 54 1HA GLY 54 4.037 -10.649 -5.637 423 HA PRO 55 HA PRO 55 3.800 -6.185 -3.938 424 1HB PRO 55 2HB PRO 55 5.411 -4.772 -5.631 425 2HB PRO 55 3HB PRO 55 6.032 -5.630 -4.199 426 1HG PRO 55 2HG PRO 55 6.010 -6.604 -7.071 427 2HG PRO 55 3HG PRO 55 7.378 -6.616 -5.924 428 1HD PRO 55 2HD PRO 55 5.816 -8.826 -6.339 429 2HD PRO 55 3HD PRO 55 6.476 -8.440 -4.728 430 H ARG 56 H ARG 56 3.785 -7.492 -7.232 431 HA ARG 56 HA ARG 56 2.627 -5.388 -8.613 432 1HB ARG 56 2HB ARG 56 3.597 -7.562 -9.532 433 2HB ARG 56 3HB ARG 56 2.092 -8.353 -9.081 434 1HG ARG 56 2HG ARG 56 1.927 -7.874 -11.389 435 2HG ARG 56 3HG ARG 56 0.846 -6.744 -10.584 436 1HD ARG 56 2HD ARG 56 2.118 -5.603 -12.369 437 2HD ARG 56 3HD ARG 56 2.491 -4.927 -10.807 438 HE ARG 56 HE ARG 56 4.667 -5.608 -10.986 439 1HH1 ARG 56 2HH2 ARG 56 2.758 -7.326 -13.386 440 2HH1 ARG 56 1HH2 ARG 56 4.110 -7.999 -14.247 441 1HH2 ARG 56 2HH1 ARG 56 6.511 -6.491 -12.077 442 2HH2 ARG 56 1HH1 ARG 56 6.303 -7.513 -13.461 443 H ASP 57 H ASP 57 0.960 -8.113 -7.010 444 HA ASP 57 HA ASP 57 -1.698 -7.560 -7.623 445 1HB ASP 57 2HB ASP 57 -0.870 -9.606 -6.410 446 2HB ASP 57 3HB ASP 57 -0.526 -8.622 -4.993 447 H ILE 58 H ILE 58 0.159 -6.546 -4.797 448 HA ILE 58 HA ILE 58 -1.731 -4.770 -3.622 449 HB ILE 58 HB ILE 58 1.277 -5.102 -3.449 450 1HG1 ILE 58 2HG1 ILE 58 -0.942 -5.706 -1.438 451 2HG1 ILE 58 3HG1 ILE 58 -0.411 -6.876 -2.644 452 1HG2 ILE 58 1HG2 ILE 58 0.871 -2.764 -2.880 453 2HG2 ILE 58 2HG2 ILE 58 -0.444 -3.224 -1.781 454 3HG2 ILE 58 3HG2 ILE 58 1.232 -3.684 -1.423 455 1HD1 ILE 58 1HD1 ILE 58 1.288 -5.743 -0.421 456 2HD1 ILE 58 2HD1 ILE 58 0.696 -7.403 -0.655 457 3HD1 ILE 58 3HD1 ILE 58 1.907 -6.739 -1.767 458 H ILE 59 H ILE 59 1.072 -3.860 -5.702 459 HA ILE 59 HA ILE 59 0.371 -1.134 -5.759 460 HB ILE 59 HB ILE 59 1.888 -2.955 -7.644 461 1HG1 ILE 59 2HG1 ILE 59 2.874 -0.697 -5.868 462 2HG1 ILE 59 3HG1 ILE 59 2.756 -2.376 -5.331 463 1HG2 ILE 59 1HG2 ILE 59 2.747 -1.052 -8.887 464 2HG2 ILE 59 2HG2 ILE 59 1.002 -1.115 -9.060 465 3HG2 ILE 59 3HG2 ILE 59 1.739 0.053 -7.938 466 1HD1 ILE 59 1HD1 ILE 59 4.534 -1.329 -7.563 467 2HD1 ILE 59 2HD1 ILE 59 5.015 -1.984 -5.992 468 3HD1 ILE 59 3HD1 ILE 59 4.280 -3.054 -7.202 469 H HIS 60 H HIS 60 -0.879 -3.760 -7.737 470 HA HIS 60 HA HIS 60 -2.370 -2.031 -9.568 471 1HB HIS 60 2HB HIS 60 -2.447 -5.003 -8.933 472 2HB HIS 60 3HB HIS 60 -3.658 -4.230 -9.953 473 HD1 HIS 60 1HD HIS 60 -3.079 -5.001 -12.310 474 HD2 HIS 60 2HD HIS 60 0.206 -3.537 -10.122 475 HE1 HIS 60 1HE HIS 60 -1.105 -4.888 -13.929 476 H THR 61 H THR 61 -3.103 -3.823 -6.569 477 HA THR 61 HA THR 61 -5.915 -3.250 -6.546 478 HB THR 61 HB THR 61 -4.004 -3.746 -4.213 479 HG1 THR 61 1HG THR 61 -4.092 -5.456 -5.708 480 1HG2 THR 61 1HG2 THR 61 -6.183 -2.722 -3.490 481 2HG2 THR 61 2HG2 THR 61 -7.038 -4.017 -4.358 482 3HG2 THR 61 3HG2 THR 61 -6.001 -4.396 -2.971 483 H ILE 62 H ILE 62 -3.090 -1.625 -5.103 484 HA ILE 62 HA ILE 62 -4.398 0.494 -3.813 485 HB ILE 62 HB ILE 62 -1.655 0.317 -5.117 486 1HG1 ILE 62 2HG1 ILE 62 -2.349 -1.303 -3.155 487 2HG1 ILE 62 3HG1 ILE 62 -0.802 -0.449 -3.093 488 1HG2 ILE 62 1HG2 ILE 62 -2.820 2.436 -3.268 489 2HG2 ILE 62 2HG2 ILE 62 -1.081 2.182 -3.505 490 3HG2 ILE 62 3HG2 ILE 62 -2.095 2.661 -4.868 491 1HD1 ILE 62 1HD1 ILE 62 -1.809 1.172 -1.542 492 2HD1 ILE 62 2HD1 ILE 62 -3.394 0.377 -1.781 493 3HD1 ILE 62 3HD1 ILE 62 -2.041 -0.497 -1.007 494 H GLU 63 H GLU 63 -3.009 0.419 -7.195 495 HA GLU 63 HA GLU 63 -3.831 2.920 -8.024 496 1HB GLU 63 2HB GLU 63 -2.419 1.300 -9.211 497 2HB GLU 63 3HB GLU 63 -3.805 0.278 -9.559 498 1HG GLU 63 2HG GLU 63 -3.573 3.166 -10.475 499 2HG GLU 63 3HG GLU 63 -2.997 1.751 -11.377 500 H SER 64 H SER 64 -5.646 -0.135 -8.464 501 HA SER 64 HA SER 64 -7.882 1.176 -9.585 502 1HB SER 64 2HB SER 64 -7.799 -1.601 -8.355 503 2HB SER 64 3HB SER 64 -8.923 -0.996 -9.592 504 HG SER 64 HG SER 64 -6.534 -0.494 -10.564 505 H LEU 65 H LEU 65 -7.165 0.435 -6.249 506 HA LEU 65 HA LEU 65 -9.791 0.782 -5.148 507 1HB LEU 65 2HB LEU 65 -7.773 -0.385 -4.131 508 2HB LEU 65 3HB LEU 65 -7.097 1.219 -3.829 509 HG LEU 65 HG LEU 65 -9.266 1.622 -2.465 510 1HD1 LEU 65 1HD1 LEU 65 -10.348 -0.479 -1.625 511 2HD1 LEU 65 2HD1 LEU 65 -10.636 -0.249 -3.356 512 3HD1 LEU 65 3HD1 LEU 65 -9.417 -1.413 -2.805 513 1HD2 LEU 65 1HD2 LEU 65 -8.357 0.491 -0.526 514 2HD2 LEU 65 2HD2 LEU 65 -7.378 -0.580 -1.560 515 3HD2 LEU 65 3HD2 LEU 65 -7.025 1.157 -1.485 516 H GLY 66 H GLY 66 -7.620 3.033 -6.565 517 1HA GLY 66 2HA GLY 66 -8.626 5.051 -7.273 518 2HA GLY 66 1HA GLY 66 -9.424 5.254 -5.707 519 H PHE 67 H PHE 67 -6.026 4.506 -6.712 520 HA PHE 67 HA PHE 67 -5.072 7.003 -5.468 521 1HB PHE 67 2HB PHE 67 -4.061 4.251 -4.641 522 2HB PHE 67 3HB PHE 67 -3.412 5.778 -4.086 523 HD1 PHE 67 1HD PHE 67 -4.882 7.336 -2.714 524 HD2 PHE 67 2HD PHE 67 -5.975 3.265 -3.547 525 HE1 PHE 67 1HE PHE 67 -6.834 7.547 -1.197 526 HE2 PHE 67 2HE PHE 67 -7.843 3.431 -1.936 527 HZ PHE 67 HZ PHE 67 -8.301 5.575 -0.782 528 H GLU 68 H GLU 68 -2.538 7.009 -5.804 529 HA GLU 68 HA GLU 68 -1.820 5.572 -8.319 530 1HB GLU 68 2HB GLU 68 -2.479 7.775 -8.938 531 2HB GLU 68 3HB GLU 68 -1.389 8.519 -7.780 532 1HG GLU 68 2HG GLU 68 -0.393 6.698 -10.019 533 2HG GLU 68 3HG GLU 68 -0.696 8.421 -10.264 534 HA PRO 69 HA PRO 69 1.329 4.741 -5.163 535 1HB PRO 69 2HB PRO 69 1.969 2.190 -5.858 536 2HB PRO 69 3HB PRO 69 0.486 2.644 -4.985 537 1HG PRO 69 2HG PRO 69 0.788 2.041 -7.912 538 2HG PRO 69 3HG PRO 69 -0.486 1.495 -6.783 539 1HD PRO 69 2HD PRO 69 -0.675 3.666 -8.538 540 2HD PRO 69 3HD PRO 69 -1.610 3.557 -7.021 541 H SER 70 H SER 70 2.785 6.323 -5.934 542 HA SER 70 HA SER 70 4.707 5.623 -8.043 543 1HB SER 70 2HB SER 70 4.774 7.752 -5.924 544 2HB SER 70 3HB SER 70 5.859 7.636 -7.316 545 HG SER 70 HG SER 70 3.165 7.659 -8.003 546 H LEU 71 H LEU 71 6.070 4.003 -7.581 547 HA LEU 71 HA LEU 71 7.126 3.446 -4.929 548 1HB LEU 71 2HB LEU 71 6.674 1.844 -6.964 549 2HB LEU 71 3HB LEU 71 8.301 2.288 -7.479 550 HG LEU 71 HG LEU 71 7.437 1.222 -4.773 551 1HD1 LEU 71 1HD1 LEU 71 8.545 -0.904 -5.469 552 2HD1 LEU 71 2HD1 LEU 71 7.230 -0.465 -6.572 553 3HD1 LEU 71 3HD1 LEU 71 8.918 -0.182 -7.047 554 1HD2 LEU 71 1HD2 LEU 71 10.247 1.727 -5.853 555 2HD2 LEU 71 2HD2 LEU 71 9.483 2.509 -4.447 556 3HD2 LEU 71 3HD2 LEU 71 9.904 0.800 -4.381 557 H VAL 72 H VAL 72 7.738 5.744 -4.700 558 HA VAL 72 HA VAL 72 9.719 6.972 -6.307 559 HB VAL 72 HB VAL 72 8.939 7.570 -3.427 560 1HG1 VAL 72 1HG1 VAL 72 10.502 9.252 -5.445 561 2HG1 VAL 72 2HG1 VAL 72 9.832 9.857 -3.916 562 3HG1 VAL 72 3HG1 VAL 72 11.107 8.643 -3.892 563 1HG2 VAL 72 1HG2 VAL 72 7.556 9.336 -4.466 564 2HG2 VAL 72 2HG2 VAL 72 8.094 8.833 -6.082 565 3HG2 VAL 72 3HG2 VAL 72 7.089 7.756 -5.101 566 H LYS 73 H LYS 73 10.117 5.114 -3.306 567 HA LYS 73 HA LYS 73 11.854 4.656 -2.022 568 1HB LYS 73 2HB LYS 73 13.386 3.128 -2.764 569 2HB LYS 73 3HB LYS 73 11.948 2.841 -3.718 570 1HG LYS 73 2HG LYS 73 14.328 4.397 -4.799 571 2HG LYS 73 3HG LYS 73 14.291 2.657 -4.798 572 1HD LYS 73 2HD LYS 73 12.699 2.465 -6.419 573 2HD LYS 73 3HD LYS 73 11.924 3.985 -6.046 574 1HE LYS 73 2HE LYS 73 14.606 3.668 -7.486 575 2HE LYS 73 3HE LYS 73 13.049 4.107 -8.211 576 1HZ LYS 73 1HZ LYS 73 14.653 5.767 -6.365 577 2HZ LYS 73 2HZ LYS 73 14.214 6.136 -7.875 578 3HZ LYS 73 3HZ LYS 73 13.097 6.080 -6.686 579 H ILE 74 H ILE 74 14.783 4.745 -2.681 580 HA ILE 74 HA ILE 74 15.268 7.550 -2.106 581 HB ILE 74 HB ILE 74 16.690 5.778 -1.172 582 1HG1 ILE 74 2HG1 ILE 74 18.970 6.616 -1.878 583 2HG1 ILE 74 3HG1 ILE 74 18.194 7.637 -3.087 584 1HG2 ILE 74 1HG2 ILE 74 17.726 5.277 -3.969 585 2HG2 ILE 74 2HG2 ILE 74 18.270 4.548 -2.446 586 3HG2 ILE 74 3HG2 ILE 74 16.658 4.162 -3.072 587 1HD1 ILE 74 1HD1 ILE 74 17.660 7.624 -0.100 588 2HD1 ILE 74 2HD1 ILE 74 18.699 8.797 -0.951 589 3HD1 ILE 74 3HD1 ILE 74 16.950 8.778 -1.267 590 H GLU 75 H GLU 75 16.246 9.089 -3.539 591 HA GLU 75 HA GLU 75 16.814 8.435 -6.297 592 1HB GLU 75 2HB GLU 75 14.989 10.697 -5.352 593 2HB GLU 75 3HB GLU 75 15.833 10.713 -6.900 594 1HG GLU 75 2HG GLU 75 13.920 8.453 -6.187 595 2HG GLU 75 3HG GLU 75 13.361 9.979 -6.874 Start of MODEL 26 1 1H MET 1 H1 MET 1 12.862 -12.618 -0.751 2 2H MET 1 H2 MET 1 14.191 -13.253 -1.508 3 3H MET 1 H3 MET 1 12.944 -14.201 -1.066 4 HA MET 1 HA MET 1 14.758 -14.515 0.445 5 1HB MET 1 2HB MET 1 14.346 -11.535 0.988 6 2HB MET 1 3HB MET 1 15.264 -12.633 2.038 7 1HG MET 1 2HG MET 1 16.802 -13.139 0.173 8 2HG MET 1 3HG MET 1 15.901 -12.032 -0.880 9 1HE MET 1 1HE MET 1 19.256 -10.146 -0.371 10 2HE MET 1 2HE MET 1 19.027 -11.903 -0.516 11 3HE MET 1 3HE MET 1 18.094 -10.792 -1.552 12 H GLY 2 H GLY 2 12.743 -12.089 2.157 13 1HA GLY 2 2HA GLY 2 10.374 -13.489 2.244 14 2HA GLY 2 1HA GLY 2 11.289 -13.970 3.697 15 H ASP 3 H ASP 3 8.890 -12.344 3.690 16 HA ASP 3 HA ASP 3 8.005 -10.349 4.371 17 1HB ASP 3 2HB ASP 3 9.010 -11.193 6.467 18 2HB ASP 3 3HB ASP 3 10.466 -10.241 6.156 19 H GLY 4 H GLY 4 10.156 -8.106 5.289 20 1HA GLY 4 2HA GLY 4 11.288 -6.385 4.177 21 2HA GLY 4 1HA GLY 4 10.946 -7.110 2.596 22 H VAL 5 H VAL 5 10.383 -4.525 2.592 23 HA VAL 5 HA VAL 5 7.458 -4.356 2.873 24 HB VAL 5 HB VAL 5 7.467 -2.320 4.054 25 1HG1 VAL 5 1HG1 VAL 5 9.648 -3.930 5.452 26 2HG1 VAL 5 2HG1 VAL 5 8.489 -2.817 6.186 27 3HG1 VAL 5 3HG1 VAL 5 7.925 -4.348 5.487 28 1HG2 VAL 5 1HG2 VAL 5 9.530 -1.123 4.777 29 2HG2 VAL 5 2HG2 VAL 5 10.493 -2.208 3.751 30 3HG2 VAL 5 3HG2 VAL 5 9.298 -1.103 3.029 31 H LEU 6 H LEU 6 6.483 -2.976 1.417 32 HA LEU 6 HA LEU 6 8.232 -1.726 -0.674 33 1HB LEU 6 2HB LEU 6 6.526 -3.565 -1.347 34 2HB LEU 6 3HB LEU 6 5.279 -2.395 -0.959 35 HG LEU 6 HG LEU 6 5.599 -2.366 -3.283 36 1HD1 LEU 6 1HD1 LEU 6 7.305 -0.008 -2.432 37 2HD1 LEU 6 2HD1 LEU 6 6.265 -0.144 -3.854 38 3HD1 LEU 6 3HD1 LEU 6 5.533 -0.069 -2.240 39 1HD2 LEU 6 1HD2 LEU 6 8.609 -2.087 -2.903 40 2HD2 LEU 6 2HD2 LEU 6 7.747 -3.565 -3.377 41 3HD2 LEU 6 3HD2 LEU 6 7.733 -2.150 -4.443 42 H GLU 7 H GLU 7 8.421 0.424 -0.147 43 HA GLU 7 HA GLU 7 6.095 1.868 1.050 44 1HB GLU 7 2HB GLU 7 8.833 2.966 0.396 45 2HB GLU 7 3HB GLU 7 7.490 3.746 1.227 46 1HG GLU 7 2HG GLU 7 7.719 2.265 3.148 47 2HG GLU 7 3HG GLU 7 9.015 1.364 2.338 48 H LEU 8 H LEU 8 4.697 2.701 -0.416 49 HA LEU 8 HA LEU 8 5.844 3.852 -2.899 50 1HB LEU 8 2HB LEU 8 3.685 3.248 -4.067 51 2HB LEU 8 3HB LEU 8 4.804 1.943 -3.738 52 HG LEU 8 HG LEU 8 3.348 1.433 -1.621 53 1HD1 LEU 8 1HD1 LEU 8 2.009 3.565 -1.839 54 2HD1 LEU 8 2HD1 LEU 8 1.366 2.945 -3.355 55 3HD1 LEU 8 3HD1 LEU 8 1.012 2.091 -1.843 56 1HD2 LEU 8 1HD2 LEU 8 3.505 -0.062 -3.544 57 2HD2 LEU 8 2HD2 LEU 8 1.822 0.065 -3.007 58 3HD2 LEU 8 3HD2 LEU 8 2.364 0.952 -4.442 59 H VAL 9 H VAL 9 4.689 5.729 -3.598 60 HA VAL 9 HA VAL 9 3.322 7.188 -1.387 61 HB VAL 9 HB VAL 9 5.138 8.052 -3.638 62 1HG1 VAL 9 1HG1 VAL 9 3.095 9.900 -2.362 63 2HG1 VAL 9 2HG1 VAL 9 4.463 10.392 -3.364 64 3HG1 VAL 9 3HG1 VAL 9 3.163 9.432 -4.076 65 1HG2 VAL 9 1HG2 VAL 9 5.976 7.758 -1.291 66 2HG2 VAL 9 2HG2 VAL 9 6.076 9.455 -1.814 67 3HG2 VAL 9 3HG2 VAL 9 4.777 8.945 -0.730 68 H VAL 10 H VAL 10 1.371 8.198 -1.937 69 HA VAL 10 HA VAL 10 -0.045 7.397 -4.428 70 HB VAL 10 HB VAL 10 -2.029 6.982 -2.799 71 1HG1 VAL 10 1HG1 VAL 10 0.194 4.920 -3.034 72 2HG1 VAL 10 2HG1 VAL 10 -1.508 4.577 -2.670 73 3HG1 VAL 10 3HG1 VAL 10 -1.056 5.226 -4.257 74 1HG2 VAL 10 1HG2 VAL 10 0.197 6.115 -0.933 75 2HG2 VAL 10 2HG2 VAL 10 -0.723 7.617 -0.726 76 3HG2 VAL 10 3HG2 VAL 10 -1.556 6.048 -0.669 77 H ARG 11 H ARG 11 -2.088 8.941 -4.524 78 HA ARG 11 HA ARG 11 -2.059 11.158 -2.610 79 1HB ARG 11 2HB ARG 11 -1.736 11.567 -5.616 80 2HB ARG 11 3HB ARG 11 -2.162 12.832 -4.455 81 1HG ARG 11 2HG ARG 11 -0.030 12.367 -3.209 82 2HG ARG 11 3HG ARG 11 0.457 11.268 -4.509 83 1HD ARG 11 2HD ARG 11 -0.183 14.223 -4.887 84 2HD ARG 11 3HD ARG 11 1.443 13.531 -4.655 85 HE ARG 11 HE ARG 11 0.042 12.221 -6.835 86 1HH1 ARG 11 2HH2 ARG 11 1.698 15.224 -6.077 87 2HH1 ARG 11 1HH2 ARG 11 2.325 15.469 -7.682 88 1HH2 ARG 11 2HH1 ARG 11 0.944 12.421 -8.922 89 2HH2 ARG 11 1HH1 ARG 11 1.827 13.843 -9.371 90 H GLY 12 H GLY 12 -4.038 12.432 -2.829 91 1HA GLY 12 2HA GLY 12 -6.158 12.775 -3.976 92 2HA GLY 12 1HA GLY 12 -6.334 11.022 -4.132 93 H MET 13 H MET 13 -6.524 9.774 -2.202 94 HA MET 13 HA MET 13 -7.735 9.247 -0.405 95 1HB MET 13 2HB MET 13 -6.396 11.593 0.957 96 2HB MET 13 3HB MET 13 -7.092 10.170 1.734 97 1HG MET 13 2HG MET 13 -4.926 9.550 1.744 98 2HG MET 13 3HG MET 13 -5.424 8.827 0.217 99 1HE MET 13 1HE MET 13 -3.003 8.531 -0.639 100 2HE MET 13 2HE MET 13 -1.743 9.776 -0.456 101 3HE MET 13 3HE MET 13 -2.486 9.052 0.986 102 H THR 14 H THR 14 -8.867 10.945 1.697 103 HA THR 14 HA THR 14 -10.682 12.824 0.488 104 HB THR 14 HB THR 14 -11.768 10.807 -0.339 105 HG1 THR 14 1HG THR 14 -13.116 11.967 1.861 106 1HG2 THR 14 1HG2 THR 14 -12.385 9.877 2.488 107 2HG2 THR 14 2HG2 THR 14 -12.558 9.023 0.951 108 3HG2 THR 14 3HG2 THR 14 -10.943 9.312 1.642 109 H CYS 15 H CYS 15 -8.965 13.384 2.310 110 HA CYS 15 HA CYS 15 -8.768 14.521 4.221 111 1HB CYS 15 2HB CYS 15 -11.154 15.230 3.853 112 2HB CYS 15 3HB CYS 15 -11.661 13.904 4.931 113 HG CYS 15 HG CYS 15 -10.018 14.620 6.911 114 H ALA 16 H ALA 16 -10.602 11.484 4.791 115 HA ALA 16 HA ALA 16 -8.565 10.726 6.821 116 1HB ALA 16 1HB ALA 16 -10.325 10.141 8.462 117 2HB ALA 16 2HB ALA 16 -10.254 11.882 8.141 118 3HB ALA 16 3HB ALA 16 -11.550 10.905 7.426 119 H SER 17 H SER 17 -11.810 9.479 5.820 120 HA SER 17 HA SER 17 -11.518 7.004 6.487 121 1HB SER 17 2HB SER 17 -12.865 7.650 3.850 122 2HB SER 17 3HB SER 17 -13.388 6.542 5.137 123 HG SER 17 HG SER 17 -14.508 8.555 5.247 124 H CYS 18 H CYS 18 -10.284 8.144 3.352 125 HA CYS 18 HA CYS 18 -9.704 5.682 2.097 126 1HB CYS 18 2HB CYS 18 -8.612 8.457 1.908 127 2HB CYS 18 3HB CYS 18 -7.653 7.153 1.184 128 HG CYS 18 HG CYS 18 -10.902 7.499 0.742 129 H VAL 19 H VAL 19 -7.856 7.309 4.680 130 HA VAL 19 HA VAL 19 -5.531 5.776 4.637 131 HB VAL 19 HB VAL 19 -7.130 6.941 6.953 132 1HG1 VAL 19 1HG1 VAL 19 -4.271 5.894 7.027 133 2HG1 VAL 19 2HG1 VAL 19 -5.070 6.834 8.295 134 3HG1 VAL 19 3HG1 VAL 19 -5.659 5.219 7.903 135 1HG2 VAL 19 1HG2 VAL 19 -4.634 7.931 5.507 136 2HG2 VAL 19 2HG2 VAL 19 -6.271 8.582 5.288 137 3HG2 VAL 19 3HG2 VAL 19 -5.467 8.736 6.857 138 H HIS 20 H HIS 20 -8.585 5.121 6.473 139 HA HIS 20 HA HIS 20 -7.580 2.586 7.422 140 1HB HIS 20 2HB HIS 20 -9.139 2.897 8.935 141 2HB HIS 20 3HB HIS 20 -9.621 4.398 8.166 142 HD1 HIS 20 1HD HIS 20 -11.220 1.524 9.447 143 HD2 HIS 20 2HD HIS 20 -11.418 3.608 5.805 144 HE1 HIS 20 1HE HIS 20 -13.479 0.998 8.411 145 H LYS 21 H LYS 21 -9.463 3.760 4.656 146 HA LYS 21 HA LYS 21 -10.515 1.286 3.839 147 1HB LYS 21 2HB LYS 21 -10.705 3.744 2.792 148 2HB LYS 21 3HB LYS 21 -9.464 3.151 1.710 149 1HG LYS 21 2HG LYS 21 -12.272 2.066 2.109 150 2HG LYS 21 3HG LYS 21 -11.562 2.771 0.650 151 1HD LYS 21 2HD LYS 21 -9.937 0.781 0.628 152 2HD LYS 21 3HD LYS 21 -10.951 0.077 1.922 153 1HE LYS 21 2HE LYS 21 -12.927 0.256 0.347 154 2HE LYS 21 3HE LYS 21 -11.795 0.724 -0.927 155 1HZ LYS 21 1HZ LYS 21 -11.892 -1.840 0.531 156 2HZ LYS 21 2HZ LYS 21 -12.198 -1.594 -1.058 157 3HZ LYS 21 3HZ LYS 21 -10.661 -1.496 -0.482 158 H ILE 22 H ILE 22 -7.361 2.844 3.078 159 HA ILE 22 HA ILE 22 -6.557 0.755 1.275 160 HB ILE 22 HB ILE 22 -4.835 2.761 2.778 161 1HG1 ILE 22 2HG1 ILE 22 -5.455 2.755 -0.182 162 2HG1 ILE 22 3HG1 ILE 22 -6.565 3.547 0.956 163 1HG2 ILE 22 1HG2 ILE 22 -4.322 0.680 0.628 164 2HG2 ILE 22 2HG2 ILE 22 -3.243 2.063 0.792 165 3HG2 ILE 22 3HG2 ILE 22 -3.432 0.935 2.147 166 1HD1 ILE 22 1HD1 ILE 22 -4.808 5.031 1.749 167 2HD1 ILE 22 2HD1 ILE 22 -3.615 4.259 0.680 168 3HD1 ILE 22 3HD1 ILE 22 -4.967 5.159 -0.009 169 H GLU 23 H GLU 23 -5.784 1.481 4.704 170 HA GLU 23 HA GLU 23 -4.187 -0.719 5.292 171 1HB GLU 23 2HB GLU 23 -5.241 1.342 6.745 172 2HB GLU 23 3HB GLU 23 -6.226 0.025 7.362 173 1HG GLU 23 2HG GLU 23 -3.165 0.025 7.277 174 2HG GLU 23 3HG GLU 23 -4.154 0.419 8.688 175 H SER 24 H SER 24 -7.706 -0.507 5.616 176 HA SER 24 HA SER 24 -8.171 -3.155 6.485 177 1HB SER 24 2HB SER 24 -9.776 -1.336 6.738 178 2HB SER 24 3HB SER 24 -10.017 -1.257 4.986 179 HG SER 24 HG SER 24 -10.557 -3.519 6.624 180 H SER 25 H SER 25 -8.244 -1.720 3.271 181 HA SER 25 HA SER 25 -9.182 -4.036 1.866 182 1HB SER 25 2HB SER 25 -9.405 -1.560 1.348 183 2HB SER 25 3HB SER 25 -7.784 -1.624 0.646 184 HG SER 25 HG SER 25 -8.729 -3.299 -0.738 185 H LEU 26 H LEU 26 -5.962 -2.888 2.823 186 HA LEU 26 HA LEU 26 -4.624 -4.795 1.067 187 1HB LEU 26 2HB LEU 26 -3.766 -2.658 2.882 188 2HB LEU 26 3HB LEU 26 -2.734 -4.078 2.915 189 HG LEU 26 HG LEU 26 -3.672 -2.930 0.278 190 1HD1 LEU 26 1HD1 LEU 26 -1.507 -1.724 0.151 191 2HD1 LEU 26 2HD1 LEU 26 -2.570 -1.112 1.431 192 3HD1 LEU 26 3HD1 LEU 26 -1.195 -2.168 1.846 193 1HD2 LEU 26 1HD2 LEU 26 -1.745 -4.077 -0.624 194 2HD2 LEU 26 2HD2 LEU 26 -1.139 -4.482 0.995 195 3HD2 LEU 26 3HD2 LEU 26 -2.596 -5.260 0.371 196 H THR 27 H THR 27 -5.504 -4.564 4.548 197 HA THR 27 HA THR 27 -4.330 -7.066 5.281 198 HB THR 27 HB THR 27 -5.771 -6.739 7.328 199 HG1 THR 27 1HG THR 27 -7.330 -5.470 5.897 200 1HG2 THR 27 1HG2 THR 27 -3.514 -5.758 7.298 201 2HG2 THR 27 2HG2 THR 27 -4.091 -4.332 6.416 202 3HG2 THR 27 3HG2 THR 27 -4.645 -4.636 8.063 203 H LYS 28 H LYS 28 -5.039 -8.220 3.489 204 HA LYS 28 HA LYS 28 -6.979 -10.193 3.895 205 1HB LYS 28 2HB LYS 28 -8.717 -9.753 2.309 206 2HB LYS 28 3HB LYS 28 -8.663 -8.465 3.487 207 1HG LYS 28 2HG LYS 28 -8.985 -7.211 1.675 208 2HG LYS 28 3HG LYS 28 -7.224 -7.208 1.648 209 1HD LYS 28 2HD LYS 28 -7.236 -8.918 -0.144 210 2HD LYS 28 3HD LYS 28 -8.946 -9.212 0.102 211 1HE LYS 28 2HE LYS 28 -9.540 -7.670 -1.367 212 2HE LYS 28 3HE LYS 28 -8.655 -6.404 -0.526 213 1HZ LYS 28 1HZ LYS 28 -8.007 -6.785 -2.855 214 2HZ LYS 28 2HZ LYS 28 -6.747 -6.844 -1.830 215 3HZ LYS 28 3HZ LYS 28 -7.375 -8.241 -2.446 216 H HIS 29 H HIS 29 -5.028 -8.342 1.580 217 HA HIS 29 HA HIS 29 -5.138 -9.565 -0.736 218 1HB HIS 29 2HB HIS 29 -2.869 -8.368 0.817 219 2HB HIS 29 3HB HIS 29 -2.480 -9.213 -0.672 220 HD1 HIS 29 1HD HIS 29 -2.688 -7.792 -2.852 221 HD2 HIS 29 2HD HIS 29 -5.386 -6.740 0.214 222 HE1 HIS 29 1HE HIS 29 -4.251 -6.112 -3.810 223 H ARG 30 H ARG 30 -2.666 -10.929 1.477 224 HA ARG 30 HA ARG 30 -3.557 -13.579 1.024 225 1HB ARG 30 2HB ARG 30 -2.399 -13.069 -1.249 226 2HB ARG 30 3HB ARG 30 -0.876 -13.095 -0.346 227 1HG ARG 30 2HG ARG 30 -1.409 -15.426 0.392 228 2HG ARG 30 3HG ARG 30 -2.954 -15.318 -0.477 229 1HD ARG 30 2HD ARG 30 -1.638 -14.896 -2.608 230 2HD ARG 30 3HD ARG 30 -0.163 -15.267 -1.693 231 HE ARG 30 HE ARG 30 -2.029 -17.355 -1.273 232 1HH1 ARG 30 2HH2 ARG 30 0.182 -16.211 -3.813 233 2HH1 ARG 30 1HH2 ARG 30 -0.133 -17.534 -4.879 234 1HH2 ARG 30 2HH1 ARG 30 -2.286 -19.219 -2.599 235 2HH2 ARG 30 1HH1 ARG 30 -1.434 -19.348 -4.102 236 H GLY 31 H GLY 31 -0.559 -11.691 1.537 237 1HA GLY 31 2HA GLY 31 -0.455 -12.564 4.350 238 2HA GLY 31 1HA GLY 31 0.919 -13.018 3.336 239 H ILE 32 H ILE 32 -1.207 -10.186 3.939 240 HA ILE 32 HA ILE 32 1.038 -8.318 4.033 241 HB ILE 32 HB ILE 32 -1.809 -8.115 3.738 242 1HG1 ILE 32 2HG1 ILE 32 -0.181 -6.834 2.436 243 2HG1 ILE 32 3HG1 ILE 32 -1.349 -5.784 3.236 244 1HG2 ILE 32 1HG2 ILE 32 -0.876 -6.700 6.269 245 2HG2 ILE 32 2HG2 ILE 32 -2.241 -6.184 5.292 246 3HG2 ILE 32 3HG2 ILE 32 -2.246 -7.794 6.046 247 1HD1 ILE 32 1HD1 ILE 32 0.744 -6.037 5.097 248 2HD1 ILE 32 2HD1 ILE 32 1.523 -5.903 3.535 249 3HD1 ILE 32 3HD1 ILE 32 0.392 -4.635 4.073 250 H LEU 33 H LEU 33 2.158 -8.144 5.813 251 HA LEU 33 HA LEU 33 1.420 -9.435 8.385 252 1HB LEU 33 2HB LEU 33 3.780 -7.643 7.607 253 2HB LEU 33 3HB LEU 33 3.509 -8.379 9.179 254 HG LEU 33 HG LEU 33 5.165 -9.554 8.088 255 1HD1 LEU 33 1HD1 LEU 33 3.522 -10.912 9.388 256 2HD1 LEU 33 2HD1 LEU 33 2.685 -11.312 7.869 257 3HD1 LEU 33 3HD1 LEU 33 4.354 -11.847 8.130 258 1HD2 LEU 33 1HD2 LEU 33 5.083 -10.689 5.979 259 2HD2 LEU 33 2HD2 LEU 33 3.407 -10.204 5.701 260 3HD2 LEU 33 3HD2 LEU 33 4.705 -8.982 5.739 261 H TYR 34 H TYR 34 2.091 -6.219 6.972 262 HA TYR 34 HA TYR 34 -0.056 -5.015 8.580 263 1HB TYR 34 2HB TYR 34 1.997 -5.085 10.075 264 2HB TYR 34 3HB TYR 34 2.853 -4.150 8.870 265 HD1 TYR 34 HD1 TYR 34 3.264 -1.998 9.696 266 HD2 TYR 34 HD2 TYR 34 -0.598 -3.793 10.415 267 HE1 TYR 34 HE1 TYR 34 2.413 0.152 10.575 268 HE2 TYR 34 HE2 TYR 34 -1.485 -1.605 11.092 269 HH TYR 34 HH TYR 34 -1.079 0.650 11.097 270 H CYS 35 H CYS 35 -0.886 -3.101 7.635 271 HA CYS 35 HA CYS 35 0.638 -1.945 5.331 272 1HB CYS 35 2HB CYS 35 -1.492 -2.843 4.546 273 2HB CYS 35 3HB CYS 35 -2.357 -2.043 5.861 274 HG CYS 35 HG CYS 35 -2.809 -0.871 3.665 275 H SER 36 H SER 36 0.797 0.353 5.400 276 HA SER 36 HA SER 36 -0.507 1.765 7.619 277 1HB SER 36 2HB SER 36 1.915 0.707 8.287 278 2HB SER 36 3HB SER 36 2.434 2.250 7.600 279 HG SER 36 HG SER 36 0.671 1.800 9.773 280 H VAL 37 H VAL 37 -1.456 3.322 6.383 281 HA VAL 37 HA VAL 37 0.282 4.839 4.531 282 HB VAL 37 HB VAL 37 -1.669 5.271 3.224 283 1HG1 VAL 37 1HG1 VAL 37 -2.235 2.412 4.066 284 2HG1 VAL 37 2HG1 VAL 37 -2.297 3.168 2.467 285 3HG1 VAL 37 3HG1 VAL 37 -0.732 2.795 3.217 286 1HG2 VAL 37 1HG2 VAL 37 -3.911 4.441 3.890 287 2HG2 VAL 37 2HG2 VAL 37 -3.284 3.978 5.477 288 3HG2 VAL 37 3HG2 VAL 37 -3.307 5.698 4.981 289 H ALA 38 H ALA 38 -0.009 7.110 4.357 290 HA ALA 38 HA ALA 38 -1.630 8.434 6.404 291 1HB ALA 38 1HB ALA 38 0.144 9.894 7.180 292 2HB ALA 38 2HB ALA 38 0.482 8.205 7.630 293 3HB ALA 38 3HB ALA 38 1.365 8.960 6.277 294 H LEU 39 H LEU 39 -2.445 10.256 5.656 295 HA LEU 39 HA LEU 39 -2.214 10.673 2.808 296 1HB LEU 39 2HB LEU 39 -4.124 12.081 2.981 297 2HB LEU 39 3HB LEU 39 -4.340 10.632 3.951 298 HG LEU 39 HG LEU 39 -3.430 12.291 5.911 299 1HD1 LEU 39 1HD1 LEU 39 -3.281 14.276 4.320 300 2HD1 LEU 39 2HD1 LEU 39 -5.014 14.100 4.017 301 3HD1 LEU 39 3HD1 LEU 39 -4.434 14.515 5.640 302 1HD2 LEU 39 1HD2 LEU 39 -6.279 12.119 4.871 303 2HD2 LEU 39 2HD2 LEU 39 -5.492 10.986 5.988 304 3HD2 LEU 39 3HD2 LEU 39 -5.793 12.653 6.497 305 H ALA 40 H ALA 40 -1.354 12.639 5.668 306 HA ALA 40 HA ALA 40 -0.588 14.992 4.312 307 1HB ALA 40 1HB ALA 40 0.741 15.471 6.338 308 2HB ALA 40 2HB ALA 40 -0.869 14.852 6.753 309 3HB ALA 40 3HB ALA 40 0.550 13.788 6.877 310 H THR 41 H THR 41 1.383 12.125 5.236 311 HA THR 41 HA THR 41 3.743 12.961 3.846 312 HB THR 41 HB THR 41 3.031 10.108 4.544 313 HG1 THR 41 1HG THR 41 3.598 12.134 6.433 314 1HG2 THR 41 1HG2 THR 41 5.350 10.051 5.371 315 2HG2 THR 41 2HG2 THR 41 5.323 10.642 3.697 316 3HG2 THR 41 3HG2 THR 41 5.541 11.785 5.036 317 H ASN 42 H ASN 42 0.736 11.672 2.793 318 HA ASN 42 HA ASN 42 -0.056 10.535 1.093 319 1HB ASN 42 2HB ASN 42 1.692 11.253 -1.090 320 2HB ASN 42 3HB ASN 42 0.042 11.757 -0.734 321 1HD2 ASN 42 1HD2 ASN 42 0.062 13.494 1.242 322 2HD2 ASN 42 2HD2 ASN 42 1.257 14.752 1.034 323 H LYS 43 H LYS 43 1.482 9.057 2.720 324 HA LYS 43 HA LYS 43 3.326 7.388 1.051 325 1HB LYS 43 2HB LYS 43 4.342 8.449 3.022 326 2HB LYS 43 3HB LYS 43 3.048 7.817 4.041 327 1HG LYS 43 2HG LYS 43 4.959 6.513 4.470 328 2HG LYS 43 3HG LYS 43 3.808 5.494 3.637 329 1HD LYS 43 2HD LYS 43 6.043 5.055 2.868 330 2HD LYS 43 3HD LYS 43 5.128 5.741 1.519 331 1HE LYS 43 2HE LYS 43 6.282 7.823 1.642 332 2HE LYS 43 3HE LYS 43 6.789 7.554 3.313 333 1HZ LYS 43 1HZ LYS 43 7.867 6.103 0.991 334 2HZ LYS 43 2HZ LYS 43 8.634 7.268 1.859 335 3HZ LYS 43 3HZ LYS 43 8.292 5.826 2.544 336 H ALA 44 H ALA 44 2.882 5.185 0.841 337 HA ALA 44 HA ALA 44 1.128 3.948 2.844 338 1HB ALA 44 1HB ALA 44 0.725 3.697 -0.143 339 2HB ALA 44 2HB ALA 44 0.103 2.516 1.023 340 3HB ALA 44 3HB ALA 44 -0.446 4.209 1.064 341 H HIS 45 H HIS 45 2.492 2.661 3.891 342 HA HIS 45 HA HIS 45 4.469 1.157 2.273 343 1HB HIS 45 2HB HIS 45 5.821 0.792 3.982 344 2HB HIS 45 3HB HIS 45 5.301 2.441 4.298 345 HD1 HIS 45 1HD HIS 45 5.288 2.627 6.843 346 HD2 HIS 45 2HD HIS 45 4.070 -1.160 5.455 347 HE1 HIS 45 1HE HIS 45 4.972 1.156 8.892 348 H ILE 46 H ILE 46 4.436 -0.974 2.174 349 HA ILE 46 HA ILE 46 2.205 -2.474 3.475 350 HB ILE 46 HB ILE 46 3.509 -2.909 0.778 351 1HG1 ILE 46 2HG1 ILE 46 0.883 -2.475 0.181 352 2HG1 ILE 46 3HG1 ILE 46 1.011 -1.430 1.596 353 1HG2 ILE 46 1HG2 ILE 46 1.069 -4.243 1.945 354 2HG2 ILE 46 2HG2 ILE 46 1.836 -4.606 0.396 355 3HG2 ILE 46 3HG2 ILE 46 2.709 -4.950 1.889 356 1HD1 ILE 46 1HD1 ILE 46 2.873 -0.190 0.465 357 2HD1 ILE 46 2HD1 ILE 46 2.764 -1.309 -0.907 358 3HD1 ILE 46 3HD1 ILE 46 1.411 -0.220 -0.528 359 H LYS 47 H LYS 47 3.027 -3.828 4.856 360 HA LYS 47 HA LYS 47 5.767 -5.016 4.588 361 1HB LYS 47 2HB LYS 47 3.903 -5.210 6.974 362 2HB LYS 47 3HB LYS 47 5.539 -5.830 6.780 363 1HG LYS 47 2HG LYS 47 6.078 -3.234 6.343 364 2HG LYS 47 3HG LYS 47 4.547 -3.019 7.212 365 1HD LYS 47 2HD LYS 47 5.398 -4.547 9.011 366 2HD LYS 47 3HD LYS 47 6.938 -4.681 8.142 367 1HE LYS 47 2HE LYS 47 7.265 -2.200 8.372 368 2HE LYS 47 3HE LYS 47 5.756 -2.096 9.291 369 1HZ LYS 47 1HZ LYS 47 8.140 -3.642 10.083 370 2HZ LYS 47 2HZ LYS 47 7.674 -2.200 10.726 371 3HZ LYS 47 3HZ LYS 47 6.742 -3.538 10.945 372 H TYR 48 H TYR 48 5.412 -6.617 3.066 373 HA TYR 48 HA TYR 48 3.355 -8.640 3.590 374 1HB TYR 48 2HB TYR 48 2.680 -8.761 1.322 375 2HB TYR 48 3HB TYR 48 2.433 -7.104 1.801 376 HD1 TYR 48 HD1 TYR 48 3.425 -9.058 -0.844 377 HD2 TYR 48 HD2 TYR 48 4.898 -5.641 1.339 378 HE1 TYR 48 HE1 TYR 48 4.923 -8.476 -2.720 379 HE2 TYR 48 HE2 TYR 48 6.729 -5.434 -0.274 380 HH TYR 48 HH TYR 48 6.857 -7.340 -3.289 381 H ASP 49 H ASP 49 4.080 -10.746 2.685 382 HA ASP 49 HA ASP 49 6.982 -10.824 2.196 383 1HB ASP 49 2HB ASP 49 5.926 -12.588 3.542 384 2HB ASP 49 3HB ASP 49 5.046 -13.141 2.112 385 HA PRO 50 HA PRO 50 6.120 -10.323 -2.193 386 1HB PRO 50 2HB PRO 50 8.595 -10.891 -3.258 387 2HB PRO 50 3HB PRO 50 8.182 -9.360 -2.432 388 1HG PRO 50 2HG PRO 50 9.542 -11.786 -1.232 389 2HG PRO 50 3HG PRO 50 10.044 -10.072 -1.109 390 1HD PRO 50 2HD PRO 50 8.653 -11.264 0.859 391 2HD PRO 50 3HD PRO 50 8.239 -9.583 0.379 392 H GLU 51 H GLU 51 7.477 -13.432 -0.938 393 HA GLU 51 HA GLU 51 7.199 -14.595 -3.671 394 1HB GLU 51 2HB GLU 51 8.694 -15.549 -1.206 395 2HB GLU 51 3HB GLU 51 8.517 -16.480 -2.705 396 1HG GLU 51 2HG GLU 51 9.539 -14.608 -4.000 397 2HG GLU 51 3HG GLU 51 9.816 -13.733 -2.486 398 H ILE 52 H ILE 52 4.978 -13.917 -2.486 399 HA ILE 52 HA ILE 52 3.521 -16.479 -2.519 400 HB ILE 52 HB ILE 52 1.953 -15.622 -0.725 401 1HG1 ILE 52 2HG1 ILE 52 4.335 -13.953 0.135 402 2HG1 ILE 52 3HG1 ILE 52 2.844 -13.307 -0.567 403 1HG2 ILE 52 1HG2 ILE 52 3.173 -16.744 1.046 404 2HG2 ILE 52 2HG2 ILE 52 3.584 -17.540 -0.471 405 3HG2 ILE 52 3HG2 ILE 52 4.729 -16.400 0.266 406 1HD1 ILE 52 1HD1 ILE 52 1.527 -14.301 1.291 407 2HD1 ILE 52 2HD1 ILE 52 3.059 -14.734 2.091 408 3HD1 ILE 52 3HD1 ILE 52 2.676 -13.034 1.772 409 H ILE 53 H ILE 53 3.281 -12.956 -2.511 410 HA ILE 53 HA ILE 53 0.967 -13.153 -4.392 411 HB ILE 53 HB ILE 53 0.393 -12.431 -2.181 412 1HG1 ILE 53 2HG1 ILE 53 0.176 -10.155 -4.197 413 2HG1 ILE 53 3HG1 ILE 53 -0.769 -11.646 -4.211 414 1HG2 ILE 53 1HG2 ILE 53 2.580 -11.211 -1.598 415 2HG2 ILE 53 2HG2 ILE 53 1.918 -9.836 -2.515 416 3HG2 ILE 53 3HG2 ILE 53 1.074 -10.453 -1.092 417 1HD1 ILE 53 1HD1 ILE 53 -1.393 -11.017 -1.743 418 2HD1 ILE 53 2HD1 ILE 53 -0.789 -9.403 -2.179 419 3HD1 ILE 53 3HD1 ILE 53 -2.165 -10.121 -3.055 420 H GLY 54 H GLY 54 3.460 -10.785 -3.498 421 1HA GLY 54 2HA GLY 54 5.152 -10.037 -4.972 422 2HA GLY 54 1HA GLY 54 4.136 -10.363 -6.383 423 HA PRO 55 HA PRO 55 3.808 -5.933 -4.570 424 1HB PRO 55 2HB PRO 55 5.447 -4.460 -6.194 425 2HB PRO 55 3HB PRO 55 6.028 -5.351 -4.765 426 1HG PRO 55 2HG PRO 55 6.088 -6.262 -7.656 427 2HG PRO 55 3HG PRO 55 7.425 -6.290 -6.472 428 1HD PRO 55 2HD PRO 55 5.910 -8.503 -6.963 429 2HD PRO 55 3HD PRO 55 6.477 -8.125 -5.314 430 H ARG 56 H ARG 56 3.839 -7.015 -7.965 431 HA ARG 56 HA ARG 56 2.528 -4.883 -9.195 432 1HB ARG 56 2HB ARG 56 2.620 -7.871 -9.686 433 2HB ARG 56 3HB ARG 56 1.529 -6.892 -10.657 434 1HG ARG 56 2HG ARG 56 4.475 -6.178 -10.396 435 2HG ARG 56 3HG ARG 56 3.866 -7.327 -11.605 436 1HD ARG 56 2HD ARG 56 2.296 -5.632 -12.474 437 2HD ARG 56 3HD ARG 56 2.932 -4.430 -11.329 438 HE ARG 56 HE ARG 56 5.124 -5.439 -12.758 439 1HH1 ARG 56 2HH2 ARG 56 2.163 -3.572 -13.384 440 2HH1 ARG 56 1HH2 ARG 56 2.795 -2.768 -14.787 441 1HH2 ARG 56 2HH1 ARG 56 5.991 -4.334 -14.601 442 2HH2 ARG 56 1HH1 ARG 56 5.025 -3.185 -15.469 443 H ASP 57 H ASP 57 1.017 -7.729 -7.678 444 HA ASP 57 HA ASP 57 -1.700 -7.191 -8.094 445 1HB ASP 57 2HB ASP 57 -1.067 -9.286 -7.149 446 2HB ASP 57 3HB ASP 57 -0.119 -8.518 -5.867 447 H ILE 58 H ILE 58 0.246 -6.338 -5.246 448 HA ILE 58 HA ILE 58 -1.589 -4.678 -3.912 449 HB ILE 58 HB ILE 58 1.448 -4.755 -4.008 450 1HG1 ILE 58 2HG1 ILE 58 -0.284 -5.546 -1.667 451 2HG1 ILE 58 3HG1 ILE 58 -0.156 -6.652 -3.031 452 1HG2 ILE 58 1HG2 ILE 58 1.429 -3.441 -1.893 453 2HG2 ILE 58 2HG2 ILE 58 0.925 -2.494 -3.287 454 3HG2 ILE 58 3HG2 ILE 58 -0.295 -3.094 -2.148 455 1HD1 ILE 58 1HD1 ILE 58 1.482 -7.129 -1.252 456 2HD1 ILE 58 2HD1 ILE 58 2.222 -6.820 -2.834 457 3HD1 ILE 58 3HD1 ILE 58 2.283 -5.575 -1.579 458 H ILE 59 H ILE 59 1.085 -3.536 -6.021 459 HA ILE 59 HA ILE 59 0.369 -0.833 -5.961 460 HB ILE 59 HB ILE 59 1.782 -2.538 -8.029 461 1HG1 ILE 59 2HG1 ILE 59 2.908 -0.371 -6.236 462 2HG1 ILE 59 3HG1 ILE 59 2.762 -2.053 -5.706 463 1HG2 ILE 59 1HG2 ILE 59 1.474 0.488 -8.103 464 2HG2 ILE 59 2HG2 ILE 59 2.570 -0.458 -9.126 465 3HG2 ILE 59 3HG2 ILE 59 0.835 -0.663 -9.299 466 1HD1 ILE 59 1HD1 ILE 59 4.996 -1.710 -6.503 467 2HD1 ILE 59 2HD1 ILE 59 4.156 -2.768 -7.653 468 3HD1 ILE 59 3HD1 ILE 59 4.431 -1.055 -8.045 469 H HIS 60 H HIS 60 -0.749 -3.316 -8.318 470 HA HIS 60 HA HIS 60 -2.330 -1.361 -9.735 471 1HB HIS 60 2HB HIS 60 -2.260 -4.385 -9.875 472 2HB HIS 60 3HB HIS 60 -3.263 -3.360 -10.912 473 HD1 HIS 60 1HD HIS 60 -1.402 -1.068 -11.776 474 HD2 HIS 60 2HD HIS 60 -0.171 -5.084 -11.352 475 HE1 HIS 60 1HE HIS 60 0.712 -1.334 -13.155 476 H THR 61 H THR 61 -3.029 -3.490 -6.979 477 HA THR 61 HA THR 61 -5.898 -3.057 -7.144 478 HB THR 61 HB THR 61 -4.168 -3.791 -4.750 479 HG1 THR 61 1HG THR 61 -4.109 -5.325 -6.390 480 1HG2 THR 61 1HG2 THR 61 -7.187 -3.904 -5.225 481 2HG2 THR 61 2HG2 THR 61 -6.347 -4.663 -3.860 482 3HG2 THR 61 3HG2 THR 61 -6.350 -2.902 -4.016 483 H ILE 62 H ILE 62 -3.238 -1.486 -5.260 484 HA ILE 62 HA ILE 62 -4.854 0.541 -4.108 485 HB ILE 62 HB ILE 62 -1.889 0.523 -4.804 486 1HG1 ILE 62 2HG1 ILE 62 -2.135 -1.253 -3.265 487 2HG1 ILE 62 3HG1 ILE 62 -1.703 0.109 -2.262 488 1HG2 ILE 62 1HG2 ILE 62 -2.568 2.800 -4.429 489 2HG2 ILE 62 2HG2 ILE 62 -3.452 2.358 -2.947 490 3HG2 ILE 62 3HG2 ILE 62 -1.684 2.237 -3.016 491 1HD1 ILE 62 1HD1 ILE 62 -4.412 -1.195 -2.634 492 2HD1 ILE 62 2HD1 ILE 62 -3.442 -1.079 -1.167 493 3HD1 ILE 62 3HD1 ILE 62 -4.223 0.380 -1.806 494 H GLU 63 H GLU 63 -3.170 0.462 -7.291 495 HA GLU 63 HA GLU 63 -3.821 3.039 -8.159 496 1HB GLU 63 2HB GLU 63 -2.266 1.334 -9.187 497 2HB GLU 63 3HB GLU 63 -3.683 0.431 -9.733 498 1HG GLU 63 2HG GLU 63 -4.389 2.300 -11.080 499 2HG GLU 63 3HG GLU 63 -2.981 3.254 -10.567 500 H SER 64 H SER 64 -5.579 -0.038 -8.738 501 HA SER 64 HA SER 64 -7.869 0.992 -9.958 502 1HB SER 64 2HB SER 64 -7.707 -1.446 -8.148 503 2HB SER 64 3HB SER 64 -8.970 -1.076 -9.339 504 HG SER 64 HG SER 64 -6.217 -1.565 -9.861 505 H LEU 65 H LEU 65 -7.209 0.698 -6.451 506 HA LEU 65 HA LEU 65 -9.863 1.466 -5.630 507 1HB LEU 65 2HB LEU 65 -7.174 1.502 -4.236 508 2HB LEU 65 3HB LEU 65 -8.666 1.978 -3.426 509 HG LEU 65 HG LEU 65 -8.310 -0.766 -4.696 510 1HD1 LEU 65 1HD1 LEU 65 -6.634 -0.415 -2.910 511 2HD1 LEU 65 2HD1 LEU 65 -7.914 0.098 -1.794 512 3HD1 LEU 65 3HD1 LEU 65 -7.872 -1.572 -2.405 513 1HD2 LEU 65 1HD2 LEU 65 -10.670 -0.138 -4.330 514 2HD2 LEU 65 2HD2 LEU 65 -10.175 -1.344 -3.138 515 3HD2 LEU 65 3HD2 LEU 65 -10.286 0.366 -2.670 516 H GLY 66 H GLY 66 -7.555 3.376 -7.228 517 1HA GLY 66 2HA GLY 66 -8.105 5.500 -7.981 518 2HA GLY 66 1HA GLY 66 -9.190 5.769 -6.613 519 H PHE 67 H PHE 67 -5.758 4.766 -6.892 520 HA PHE 67 HA PHE 67 -4.860 7.236 -5.490 521 1HB PHE 67 2HB PHE 67 -4.045 4.381 -4.863 522 2HB PHE 67 3HB PHE 67 -3.346 5.811 -4.128 523 HD1 PHE 67 1HD PHE 67 -5.211 7.512 -3.122 524 HD2 PHE 67 2HD PHE 67 -5.661 3.246 -3.550 525 HE1 PHE 67 1HE PHE 67 -6.990 7.507 -1.409 526 HE2 PHE 67 2HE PHE 67 -7.432 3.258 -1.827 527 HZ PHE 67 HZ PHE 67 -8.069 5.384 -0.723 528 H GLU 68 H GLU 68 -2.288 7.070 -5.523 529 HA GLU 68 HA GLU 68 -1.530 6.574 -8.361 530 1HB GLU 68 2HB GLU 68 -2.038 8.952 -7.546 531 2HB GLU 68 3HB GLU 68 -0.557 8.832 -6.590 532 1HG GLU 68 2HG GLU 68 0.700 8.410 -8.746 533 2HG GLU 68 3HG GLU 68 -0.823 8.640 -9.626 534 HA PRO 69 HA PRO 69 1.168 4.451 -5.137 535 1HB PRO 69 2HB PRO 69 1.132 1.861 -6.055 536 2HB PRO 69 3HB PRO 69 -0.104 2.587 -4.989 537 1HG PRO 69 2HG PRO 69 -0.199 2.290 -7.976 538 2HG PRO 69 3HG PRO 69 -1.436 1.892 -6.735 539 1HD PRO 69 2HD PRO 69 -1.542 4.204 -8.152 540 2HD PRO 69 3HD PRO 69 -1.978 4.123 -6.415 541 H SER 70 H SER 70 2.761 5.783 -5.992 542 HA SER 70 HA SER 70 4.487 4.787 -8.192 543 1HB SER 70 2HB SER 70 4.676 7.307 -6.497 544 2HB SER 70 3HB SER 70 5.483 6.989 -8.042 545 HG SER 70 HG SER 70 2.650 7.157 -7.624 546 H LEU 71 H LEU 71 6.340 3.614 -7.674 547 HA LEU 71 HA LEU 71 7.158 3.156 -4.941 548 1HB LEU 71 2HB LEU 71 9.049 1.995 -5.857 549 2HB LEU 71 3HB LEU 71 7.597 1.584 -6.762 550 HG LEU 71 HG LEU 71 8.497 3.601 -8.349 551 1HD1 LEU 71 1HD1 LEU 71 10.951 3.439 -8.586 552 2HD1 LEU 71 2HD1 LEU 71 10.550 4.052 -6.981 553 3HD1 LEU 71 3HD1 LEU 71 11.036 2.360 -7.181 554 1HD2 LEU 71 1HD2 LEU 71 9.516 1.856 -9.767 555 2HD2 LEU 71 2HD2 LEU 71 9.513 0.730 -8.391 556 3HD2 LEU 71 3HD2 LEU 71 7.979 1.311 -9.077 557 H VAL 72 H VAL 72 9.067 3.997 -3.892 558 HA VAL 72 HA VAL 72 10.196 6.507 -5.030 559 HB VAL 72 HB VAL 72 8.970 6.291 -2.250 560 1HG1 VAL 72 1HG1 VAL 72 9.598 8.699 -2.064 561 2HG1 VAL 72 2HG1 VAL 72 11.021 7.664 -2.172 562 3HG1 VAL 72 3HG1 VAL 72 10.482 8.576 -3.598 563 1HG2 VAL 72 1HG2 VAL 72 7.575 8.214 -3.127 564 2HG2 VAL 72 2HG2 VAL 72 8.205 7.878 -4.744 565 3HG2 VAL 72 3HG2 VAL 72 7.228 6.659 -3.892 566 H LYS 73 H LYS 73 10.445 4.233 -2.246 567 HA LYS 73 HA LYS 73 12.971 5.173 -1.517 568 1HB LYS 73 2HB LYS 73 13.089 3.396 -0.032 569 2HB LYS 73 3HB LYS 73 11.372 3.758 -0.166 570 1HG LYS 73 2HG LYS 73 11.253 1.871 -1.896 571 2HG LYS 73 3HG LYS 73 12.901 1.423 -1.441 572 1HD LYS 73 2HD LYS 73 10.579 1.600 0.522 573 2HD LYS 73 3HD LYS 73 11.027 0.138 -0.350 574 1HE LYS 73 2HE LYS 73 11.933 -0.048 1.832 575 2HE LYS 73 3HE LYS 73 13.298 0.190 0.729 576 1HZ LYS 73 1HZ LYS 73 13.334 1.472 2.841 577 2HZ LYS 73 2HZ LYS 73 13.594 2.353 1.540 578 3HZ LYS 73 3HZ LYS 73 12.096 2.403 2.296 579 H ILE 74 H ILE 74 15.058 4.216 -1.649 580 HA ILE 74 HA ILE 74 15.608 2.435 -3.986 581 HB ILE 74 HB ILE 74 17.191 4.948 -3.257 582 1HG1 ILE 74 2HG1 ILE 74 15.587 4.261 -5.762 583 2HG1 ILE 74 3HG1 ILE 74 15.116 5.429 -4.520 584 1HG2 ILE 74 1HG2 ILE 74 18.687 4.299 -5.092 585 2HG2 ILE 74 2HG2 ILE 74 18.619 2.991 -3.922 586 3HG2 ILE 74 3HG2 ILE 74 17.696 2.864 -5.431 587 1HD1 ILE 74 1HD1 ILE 74 17.187 6.747 -4.993 588 2HD1 ILE 74 2HD1 ILE 74 17.490 5.682 -6.391 589 3HD1 ILE 74 3HD1 ILE 74 16.023 6.668 -6.330 590 H GLU 75 H GLU 75 17.257 4.149 -1.367 591 HA GLU 75 HA GLU 75 17.340 1.717 0.308 592 1HB GLU 75 2HB GLU 75 18.207 4.600 0.858 593 2HB GLU 75 3HB GLU 75 18.270 3.248 1.998 594 1HG GLU 75 2HG GLU 75 19.886 2.072 0.510 595 2HG GLU 75 3HG GLU 75 19.855 3.446 -0.610 Start of MODEL 27 1 1H MET 1 H1 MET 1 13.332 -16.776 7.095 2 2H MET 1 H2 MET 1 12.768 -16.678 8.674 3 3H MET 1 H3 MET 1 11.728 -16.586 7.372 4 HA MET 1 HA MET 1 11.937 -14.404 7.895 5 1HB MET 1 2HB MET 1 14.950 -14.867 8.209 6 2HB MET 1 3HB MET 1 14.081 -13.336 8.405 7 1HG MET 1 2HG MET 1 14.440 -14.135 10.602 8 2HG MET 1 3HG MET 1 12.736 -14.433 10.249 9 1HE MET 1 1HE MET 1 13.846 -15.761 12.737 10 2HE MET 1 2HE MET 1 12.248 -16.182 12.070 11 3HE MET 1 3HE MET 1 13.388 -17.468 12.535 12 H GLY 2 H GLY 2 12.646 -12.702 6.386 13 1HA GLY 2 2HA GLY 2 14.174 -12.547 4.174 14 2HA GLY 2 1HA GLY 2 12.943 -13.727 3.646 15 H ASP 3 H ASP 3 10.679 -13.174 4.426 16 HA ASP 3 HA ASP 3 8.843 -11.864 4.560 17 1HB ASP 3 2HB ASP 3 10.662 -9.949 6.068 18 2HB ASP 3 3HB ASP 3 8.937 -10.274 6.335 19 H GLY 4 H GLY 4 8.885 -8.834 4.778 20 1HA GLY 4 2HA GLY 4 10.395 -7.551 2.886 21 2HA GLY 4 1HA GLY 4 9.030 -8.178 1.945 22 H VAL 5 H VAL 5 9.655 -5.422 2.325 23 HA VAL 5 HA VAL 5 6.984 -4.648 3.020 24 HB VAL 5 HB VAL 5 7.479 -2.825 4.442 25 1HG1 VAL 5 1HG1 VAL 5 7.799 -4.970 5.705 26 2HG1 VAL 5 2HG1 VAL 5 9.544 -4.855 5.400 27 3HG1 VAL 5 3HG1 VAL 5 8.727 -3.618 6.365 28 1HG2 VAL 5 1HG2 VAL 5 9.757 -1.990 4.957 29 2HG2 VAL 5 2HG2 VAL 5 10.415 -3.086 3.721 30 3HG2 VAL 5 3HG2 VAL 5 9.300 -1.769 3.272 31 H LEU 6 H LEU 6 6.478 -2.531 1.995 32 HA LEU 6 HA LEU 6 8.516 -1.396 0.308 33 1HB LEU 6 2HB LEU 6 7.442 -3.228 -1.140 34 2HB LEU 6 3HB LEU 6 5.927 -2.298 -1.007 35 HG LEU 6 HG LEU 6 6.912 -0.416 -2.191 36 1HD1 LEU 6 1HD1 LEU 6 9.403 -2.183 -2.342 37 2HD1 LEU 6 2HD1 LEU 6 9.130 -0.748 -3.348 38 3HD1 LEU 6 3HD1 LEU 6 9.290 -0.568 -1.602 39 1HD2 LEU 6 1HD2 LEU 6 7.302 -3.078 -3.613 40 2HD2 LEU 6 2HD2 LEU 6 5.765 -2.196 -3.438 41 3HD2 LEU 6 3HD2 LEU 6 7.081 -1.500 -4.391 42 H GLU 7 H GLU 7 7.975 0.764 -0.202 43 HA GLU 7 HA GLU 7 5.502 1.816 1.052 44 1HB GLU 7 2HB GLU 7 8.172 3.256 0.819 45 2HB GLU 7 3HB GLU 7 6.675 3.815 1.583 46 1HG GLU 7 2HG GLU 7 6.856 1.685 3.077 47 2HG GLU 7 3HG GLU 7 8.511 1.561 2.452 48 H LEU 8 H LEU 8 4.207 2.841 -0.341 49 HA LEU 8 HA LEU 8 5.302 3.694 -2.967 50 1HB LEU 8 2HB LEU 8 2.711 3.182 -3.589 51 2HB LEU 8 3HB LEU 8 4.031 2.096 -3.950 52 HG LEU 8 HG LEU 8 2.577 1.783 -1.304 53 1HD1 LEU 8 1HD1 LEU 8 0.797 1.920 -2.965 54 2HD1 LEU 8 2HD1 LEU 8 1.618 0.698 -3.971 55 3HD1 LEU 8 3HD1 LEU 8 0.985 0.266 -2.371 56 1HD2 LEU 8 1HD2 LEU 8 4.602 0.383 -1.721 57 2HD2 LEU 8 2HD2 LEU 8 3.152 -0.623 -1.765 58 3HD2 LEU 8 3HD2 LEU 8 3.929 -0.139 -3.277 59 H VAL 9 H VAL 9 4.883 5.804 -3.365 60 HA VAL 9 HA VAL 9 3.331 7.433 -1.481 61 HB VAL 9 HB VAL 9 4.846 7.924 -4.059 62 1HG1 VAL 9 1HG1 VAL 9 4.269 10.311 -3.875 63 2HG1 VAL 9 2HG1 VAL 9 2.851 9.341 -4.280 64 3HG1 VAL 9 3HG1 VAL 9 3.072 9.927 -2.613 65 1HG2 VAL 9 1HG2 VAL 9 6.039 7.813 -1.842 66 2HG2 VAL 9 2HG2 VAL 9 6.164 9.405 -2.612 67 3HG2 VAL 9 3HG2 VAL 9 5.033 9.152 -1.265 68 H VAL 10 H VAL 10 1.199 8.219 -1.952 69 HA VAL 10 HA VAL 10 -0.210 7.055 -4.322 70 HB VAL 10 HB VAL 10 -2.090 6.447 -2.683 71 1HG1 VAL 10 1HG1 VAL 10 -0.975 4.784 -4.088 72 2HG1 VAL 10 2HG1 VAL 10 0.381 4.686 -2.929 73 3HG1 VAL 10 3HG1 VAL 10 -1.239 4.169 -2.447 74 1HG2 VAL 10 1HG2 VAL 10 0.287 5.984 -0.894 75 2HG2 VAL 10 2HG2 VAL 10 -0.823 7.371 -0.733 76 3HG2 VAL 10 3HG2 VAL 10 -1.446 5.706 -0.557 77 H ARG 11 H ARG 11 -0.258 9.141 -5.118 78 HA ARG 11 HA ARG 11 -1.624 11.334 -3.825 79 1HB ARG 11 2HB ARG 11 -1.736 10.675 -6.789 80 2HB ARG 11 3HB ARG 11 -2.024 12.231 -6.042 81 1HG ARG 11 2HG ARG 11 0.689 10.823 -5.912 82 2HG ARG 11 3HG ARG 11 0.203 11.901 -7.214 83 1HD ARG 11 2HD ARG 11 -0.080 13.760 -5.688 84 2HD ARG 11 3HD ARG 11 0.251 12.745 -4.292 85 HE ARG 11 HE ARG 11 2.139 13.453 -6.518 86 1HH1 ARG 11 2HH2 ARG 11 1.802 12.121 -3.225 87 2HH1 ARG 11 1HH2 ARG 11 3.464 12.374 -2.822 88 1HH2 ARG 11 2HH1 ARG 11 4.364 13.569 -6.041 89 2HH2 ARG 11 1HH1 ARG 11 4.963 13.104 -4.482 90 H GLY 12 H GLY 12 -3.844 11.762 -3.716 91 1HA GLY 12 2HA GLY 12 -6.131 11.240 -4.395 92 2HA GLY 12 1HA GLY 12 -5.725 9.526 -4.436 93 H MET 13 H MET 13 -4.003 9.893 -1.866 94 HA MET 13 HA MET 13 -6.139 9.420 0.012 95 1HB MET 13 2HB MET 13 -3.202 9.887 0.519 96 2HB MET 13 3HB MET 13 -4.413 9.414 1.723 97 1HG MET 13 2HG MET 13 -4.849 7.391 0.136 98 2HG MET 13 3HG MET 13 -3.257 7.789 -0.515 99 1HE MET 13 1HE MET 13 -2.119 8.965 2.559 100 2HE MET 13 2HE MET 13 -1.182 7.512 2.949 101 3HE MET 13 3HE MET 13 -1.129 8.183 1.308 102 H THR 14 H THR 14 -7.326 11.407 -0.491 103 HA THR 14 HA THR 14 -6.401 13.915 0.583 104 HB THR 14 HB THR 14 -7.941 13.843 -1.260 105 HG1 THR 14 1HG THR 14 -8.064 15.548 0.375 106 1HG2 THR 14 1HG2 THR 14 -9.281 11.815 -0.762 107 2HG2 THR 14 2HG2 THR 14 -10.014 12.644 0.631 108 3HG2 THR 14 3HG2 THR 14 -10.303 13.232 -1.011 109 H CYS 15 H CYS 15 -8.213 11.194 2.015 110 HA CYS 15 HA CYS 15 -8.512 12.681 4.575 111 1HB CYS 15 2HB CYS 15 -10.459 13.290 3.207 112 2HB CYS 15 3HB CYS 15 -10.752 11.585 2.820 113 HG CYS 15 HG CYS 15 -12.572 12.344 4.457 114 H ALA 16 H ALA 16 -9.154 11.326 6.327 115 HA ALA 16 HA ALA 16 -7.996 8.906 6.773 116 1HB ALA 16 1HB ALA 16 -9.023 10.311 8.491 117 2HB ALA 16 2HB ALA 16 -10.643 9.907 7.877 118 3HB ALA 16 3HB ALA 16 -9.622 8.643 8.596 119 H SER 17 H SER 17 -11.084 9.416 5.017 120 HA SER 17 HA SER 17 -12.052 6.741 5.011 121 1HB SER 17 2HB SER 17 -12.990 7.535 2.745 122 2HB SER 17 3HB SER 17 -13.461 8.455 4.189 123 HG SER 17 HG SER 17 -12.729 9.790 2.416 124 H CYS 18 H CYS 18 -9.773 8.448 2.805 125 HA CYS 18 HA CYS 18 -9.213 6.169 1.103 126 1HB CYS 18 2HB CYS 18 -7.580 8.677 1.691 127 2HB CYS 18 3HB CYS 18 -7.222 7.445 0.474 128 HG CYS 18 HG CYS 18 -8.241 9.393 -0.836 129 H VAL 19 H VAL 19 -7.518 7.525 3.962 130 HA VAL 19 HA VAL 19 -5.426 5.779 4.126 131 HB VAL 19 HB VAL 19 -7.128 6.850 6.421 132 1HG1 VAL 19 1HG1 VAL 19 -5.173 6.594 7.847 133 2HG1 VAL 19 2HG1 VAL 19 -5.812 5.042 7.300 134 3HG1 VAL 19 3HG1 VAL 19 -4.346 5.705 6.561 135 1HG2 VAL 19 1HG2 VAL 19 -4.617 7.919 5.104 136 2HG2 VAL 19 2HG2 VAL 19 -6.253 8.610 4.991 137 3HG2 VAL 19 3HG2 VAL 19 -5.416 8.597 6.549 138 H HIS 20 H HIS 20 -8.570 5.318 5.805 139 HA HIS 20 HA HIS 20 -7.922 2.642 6.479 140 1HB HIS 20 2HB HIS 20 -9.571 2.685 7.838 141 2HB HIS 20 3HB HIS 20 -9.699 4.391 7.457 142 HD1 HIS 20 1HD HIS 20 -12.112 2.715 8.587 143 HD2 HIS 20 2HD HIS 20 -11.341 3.518 4.551 144 HE1 HIS 20 1HE HIS 20 -14.353 2.548 7.373 145 H LYS 21 H LYS 21 -9.280 3.982 3.520 146 HA LYS 21 HA LYS 21 -10.416 1.606 2.492 147 1HB LYS 21 2HB LYS 21 -10.307 4.092 1.495 148 2HB LYS 21 3HB LYS 21 -8.916 3.437 0.634 149 1HG LYS 21 2HG LYS 21 -10.626 1.481 0.036 150 2HG LYS 21 3HG LYS 21 -11.835 2.693 0.505 151 1HD LYS 21 2HD LYS 21 -10.481 4.280 -1.129 152 2HD LYS 21 3HD LYS 21 -9.771 2.762 -1.708 153 1HE LYS 21 2HE LYS 21 -12.323 2.019 -1.949 154 2HE LYS 21 3HE LYS 21 -12.628 3.762 -1.886 155 1HZ LYS 21 1HZ LYS 21 -10.922 3.839 -3.828 156 2HZ LYS 21 2HZ LYS 21 -11.116 2.239 -3.889 157 3HZ LYS 21 3HZ LYS 21 -12.412 3.206 -4.130 158 H ILE 22 H ILE 22 -7.132 2.928 2.277 159 HA ILE 22 HA ILE 22 -6.154 0.713 0.673 160 HB ILE 22 HB ILE 22 -4.555 2.761 2.254 161 1HG1 ILE 22 2HG1 ILE 22 -5.795 2.817 -0.515 162 2HG1 ILE 22 3HG1 ILE 22 -5.961 3.971 0.832 163 1HG2 ILE 22 1HG2 ILE 22 -3.876 0.945 -0.075 164 2HG2 ILE 22 2HG2 ILE 22 -2.814 2.231 0.514 165 3HG2 ILE 22 3HG2 ILE 22 -3.203 0.884 1.574 166 1HD1 ILE 22 1HD1 ILE 22 -3.524 4.509 0.550 167 2HD1 ILE 22 2HD1 ILE 22 -3.630 3.704 -1.036 168 3HD1 ILE 22 3HD1 ILE 22 -4.658 5.100 -0.683 169 H GLU 23 H GLU 23 -5.666 1.735 4.079 170 HA GLU 23 HA GLU 23 -4.286 -0.456 5.057 171 1HB GLU 23 2HB GLU 23 -6.026 1.686 6.102 172 2HB GLU 23 3HB GLU 23 -6.064 0.302 7.139 173 1HG GLU 23 2HG GLU 23 -3.664 0.442 7.490 174 2HG GLU 23 3HG GLU 23 -3.446 1.446 6.046 175 H SER 24 H SER 24 -7.849 -0.126 5.014 176 HA SER 24 HA SER 24 -8.307 -2.742 6.125 177 1HB SER 24 2HB SER 24 -9.889 -0.793 6.257 178 2HB SER 24 3HB SER 24 -10.270 -1.050 4.535 179 HG SER 24 HG SER 24 -11.723 -2.101 6.001 180 H SER 25 H SER 25 -7.901 -1.513 2.791 181 HA SER 25 HA SER 25 -8.891 -3.913 1.541 182 1HB SER 25 2HB SER 25 -8.726 -1.776 0.369 183 2HB SER 25 3HB SER 25 -6.958 -1.826 0.464 184 HG SER 25 HG SER 25 -7.084 -3.830 -0.741 185 H LEU 26 H LEU 26 -5.545 -2.764 2.396 186 HA LEU 26 HA LEU 26 -4.218 -4.985 1.322 187 1HB LEU 26 2HB LEU 26 -3.537 -3.092 3.589 188 2HB LEU 26 3HB LEU 26 -2.559 -4.531 3.352 189 HG LEU 26 HG LEU 26 -1.431 -2.888 2.275 190 1HD1 LEU 26 1HD1 LEU 26 -2.855 -4.155 -0.098 191 2HD1 LEU 26 2HD1 LEU 26 -1.189 -3.609 0.022 192 3HD1 LEU 26 3HD1 LEU 26 -1.701 -5.039 0.932 193 1HD2 LEU 26 1HD2 LEU 26 -3.958 -2.066 0.840 194 2HD2 LEU 26 2HD2 LEU 26 -3.120 -1.214 2.163 195 3HD2 LEU 26 3HD2 LEU 26 -2.337 -1.363 0.576 196 H THR 27 H THR 27 -5.637 -4.706 4.609 197 HA THR 27 HA THR 27 -4.487 -7.121 5.529 198 HB THR 27 HB THR 27 -6.305 -6.905 7.295 199 HG1 THR 27 1HG THR 27 -7.365 -4.820 7.145 200 1HG2 THR 27 1HG2 THR 27 -4.576 -4.469 6.625 201 2HG2 THR 27 2HG2 THR 27 -5.263 -4.823 8.215 202 3HG2 THR 27 3HG2 THR 27 -4.028 -5.889 7.523 203 H LYS 28 H LYS 28 -6.888 -6.761 3.108 204 HA LYS 28 HA LYS 28 -8.322 -9.249 3.552 205 1HB LYS 28 2HB LYS 28 -7.831 -7.698 0.986 206 2HB LYS 28 3HB LYS 28 -9.060 -8.918 1.233 207 1HG LYS 28 2HG LYS 28 -8.978 -6.352 2.886 208 2HG LYS 28 3HG LYS 28 -9.703 -6.380 1.298 209 1HD LYS 28 2HD LYS 28 -10.531 -8.259 3.559 210 2HD LYS 28 3HD LYS 28 -11.238 -6.654 3.304 211 1HE LYS 28 2HE LYS 28 -11.903 -7.303 0.978 212 2HE LYS 28 3HE LYS 28 -11.283 -8.935 1.255 213 1HZ LYS 28 1HZ LYS 28 -13.633 -8.825 1.597 214 2HZ LYS 28 2HZ LYS 28 -12.889 -9.188 3.019 215 3HZ LYS 28 3HZ LYS 28 -13.475 -7.671 2.758 216 H HIS 29 H HIS 29 -5.245 -8.283 1.985 217 HA HIS 29 HA HIS 29 -5.247 -10.570 0.191 218 1HB HIS 29 2HB HIS 29 -3.018 -8.613 0.861 219 2HB HIS 29 3HB HIS 29 -3.021 -9.838 -0.417 220 HD1 HIS 29 1HD HIS 29 -3.389 -8.708 -2.736 221 HD2 HIS 29 2HD HIS 29 -5.341 -6.819 0.482 222 HE1 HIS 29 1HE HIS 29 -4.542 -6.684 -3.674 223 H ARG 30 H ARG 30 -4.648 -12.598 0.754 224 HA ARG 30 HA ARG 30 -3.570 -13.139 3.395 225 1HB ARG 30 2HB ARG 30 -4.215 -14.994 1.075 226 2HB ARG 30 3HB ARG 30 -3.777 -15.487 2.718 227 1HG ARG 30 2HG ARG 30 -5.768 -14.195 3.594 228 2HG ARG 30 3HG ARG 30 -6.226 -13.830 1.927 229 1HD ARG 30 2HD ARG 30 -7.521 -15.716 2.706 230 2HD ARG 30 3HD ARG 30 -6.398 -16.245 1.428 231 HE ARG 30 HE ARG 30 -5.200 -16.557 4.020 232 1HH1 ARG 30 2HH2 ARG 30 -7.674 -18.004 1.983 233 2HH1 ARG 30 1HH2 ARG 30 -7.516 -19.611 2.624 234 1HH2 ARG 30 2HH1 ARG 30 -4.933 -18.677 4.905 235 2HH2 ARG 30 1HH1 ARG 30 -5.914 -19.992 4.348 236 H GLY 31 H GLY 31 -1.648 -11.689 2.636 237 1HA GLY 31 2HA GLY 31 0.670 -13.253 2.965 238 2HA GLY 31 1HA GLY 31 0.572 -12.845 1.236 239 H ILE 32 H ILE 32 -0.414 -11.014 4.200 240 HA ILE 32 HA ILE 32 1.344 -8.795 3.498 241 HB ILE 32 HB ILE 32 -1.066 -8.568 2.755 242 1HG1 ILE 32 2HG1 ILE 32 0.634 -6.628 3.285 243 2HG1 ILE 32 3HG1 ILE 32 -1.067 -6.311 2.971 244 1HG2 ILE 32 1HG2 ILE 32 -2.038 -9.618 4.764 245 2HG2 ILE 32 2HG2 ILE 32 -1.462 -8.273 5.753 246 3HG2 ILE 32 3HG2 ILE 32 -2.674 -7.979 4.485 247 1HD1 ILE 32 1HD1 ILE 32 0.075 -6.641 5.735 248 2HD1 ILE 32 2HD1 ILE 32 -0.118 -5.070 4.915 249 3HD1 ILE 32 3HD1 ILE 32 -1.542 -6.034 5.318 250 H LEU 33 H LEU 33 2.271 -7.981 5.504 251 HA LEU 33 HA LEU 33 1.852 -9.657 7.908 252 1HB LEU 33 2HB LEU 33 4.090 -9.588 6.969 253 2HB LEU 33 3HB LEU 33 4.091 -7.825 6.992 254 HG LEU 33 HG LEU 33 4.025 -7.818 9.458 255 1HD1 LEU 33 1HD1 LEU 33 4.101 -10.854 9.139 256 2HD1 LEU 33 2HD1 LEU 33 4.430 -9.995 10.660 257 3HD1 LEU 33 3HD1 LEU 33 2.824 -9.901 9.927 258 1HD2 LEU 33 1HD2 LEU 33 6.315 -8.677 9.782 259 2HD2 LEU 33 2HD2 LEU 33 6.192 -9.599 8.266 260 3HD2 LEU 33 3HD2 LEU 33 6.169 -7.826 8.230 261 H TYR 34 H TYR 34 2.006 -6.212 6.793 262 HA TYR 34 HA TYR 34 0.132 -5.382 8.834 263 1HB TYR 34 2HB TYR 34 2.176 -5.479 10.227 264 2HB TYR 34 3HB TYR 34 3.064 -4.564 9.022 265 HD1 TYR 34 HD1 TYR 34 -0.024 -4.253 11.165 266 HD2 TYR 34 HD2 TYR 34 3.310 -2.251 9.303 267 HE1 TYR 34 HE1 TYR 34 -0.718 -2.120 12.210 268 HE2 TYR 34 HE2 TYR 34 2.660 -0.137 10.416 269 HH TYR 34 HH TYR 34 -0.310 0.153 12.362 270 H CYS 35 H CYS 35 -0.582 -3.152 8.383 271 HA CYS 35 HA CYS 35 0.655 -1.821 6.047 272 1HB CYS 35 2HB CYS 35 -1.590 -1.157 5.214 273 2HB CYS 35 3HB CYS 35 -1.360 -2.876 5.065 274 HG CYS 35 HG CYS 35 -3.755 -2.502 5.767 275 H SER 36 H SER 36 0.282 0.381 6.022 276 HA SER 36 HA SER 36 -1.197 1.841 7.999 277 1HB SER 36 2HB SER 36 0.587 1.184 9.511 278 2HB SER 36 3HB SER 36 1.830 1.676 8.337 279 HG SER 36 HG SER 36 1.204 3.178 10.138 280 H VAL 37 H VAL 37 -1.832 3.593 6.688 281 HA VAL 37 HA VAL 37 0.249 4.640 4.821 282 HB VAL 37 HB VAL 37 -1.401 4.987 3.173 283 1HG1 VAL 37 1HG1 VAL 37 -2.050 2.812 2.586 284 2HG1 VAL 37 2HG1 VAL 37 -0.626 2.483 3.596 285 3HG1 VAL 37 3HG1 VAL 37 -2.246 2.272 4.251 286 1HG2 VAL 37 1HG2 VAL 37 -3.753 4.368 3.456 287 2HG2 VAL 37 2HG2 VAL 37 -3.476 3.952 5.151 288 3HG2 VAL 37 3HG2 VAL 37 -3.299 5.649 4.589 289 H ALA 38 H ALA 38 0.706 6.760 4.886 290 HA ALA 38 HA ALA 38 -0.672 8.354 7.010 291 1HB ALA 38 1HB ALA 38 1.401 9.532 7.279 292 2HB ALA 38 2HB ALA 38 1.614 7.790 7.583 293 3HB ALA 38 3HB ALA 38 2.194 8.504 6.057 294 H LEU 39 H LEU 39 -1.460 10.232 6.569 295 HA LEU 39 HA LEU 39 -1.995 11.073 3.878 296 1HB LEU 39 2HB LEU 39 -2.438 12.379 6.591 297 2HB LEU 39 3HB LEU 39 -2.982 13.113 5.082 298 HG LEU 39 HG LEU 39 -3.838 10.318 5.918 299 1HD1 LEU 39 1HD1 LEU 39 -5.935 11.354 6.717 300 2HD1 LEU 39 2HD1 LEU 39 -4.543 11.916 7.659 301 3HD1 LEU 39 3HD1 LEU 39 -5.257 12.969 6.417 302 1HD2 LEU 39 1HD2 LEU 39 -4.171 10.837 3.525 303 2HD2 LEU 39 2HD2 LEU 39 -5.732 10.817 4.348 304 3HD2 LEU 39 3HD2 LEU 39 -4.974 12.364 3.944 305 H ALA 40 H ALA 40 -0.067 12.635 6.482 306 HA ALA 40 HA ALA 40 0.713 14.887 5.015 307 1HB ALA 40 1HB ALA 40 2.527 15.106 6.678 308 2HB ALA 40 2HB ALA 40 0.989 14.675 7.451 309 3HB ALA 40 3HB ALA 40 2.247 13.438 7.221 310 H THR 41 H THR 41 2.485 11.763 5.413 311 HA THR 41 HA THR 41 4.609 12.374 3.633 312 HB THR 41 HB THR 41 3.605 9.628 4.313 313 HG1 THR 41 1HG THR 41 4.537 9.936 6.423 314 1HG2 THR 41 1HG2 THR 41 6.366 10.942 4.547 315 2HG2 THR 41 2HG2 THR 41 6.017 9.214 4.737 316 3HG2 THR 41 3HG2 THR 41 5.828 9.992 3.150 317 H ASN 42 H ASN 42 1.299 11.629 3.066 318 HA ASN 42 HA ASN 42 0.086 10.658 1.517 319 1HB ASN 42 2HB ASN 42 0.790 12.767 0.389 320 2HB ASN 42 3HB ASN 42 2.146 11.905 -0.362 321 1HD2 ASN 42 1HD2 ASN 42 -1.384 11.208 0.131 322 2HD2 ASN 42 2HD2 ASN 42 -1.593 10.577 -1.496 323 H LYS 43 H LYS 43 1.557 8.830 2.715 324 HA LYS 43 HA LYS 43 2.893 7.162 0.620 325 1HB LYS 43 2HB LYS 43 4.535 8.262 2.015 326 2HB LYS 43 3HB LYS 43 3.727 7.649 3.482 327 1HG LYS 43 2HG LYS 43 4.262 5.382 2.975 328 2HG LYS 43 3HG LYS 43 4.888 5.795 1.375 329 1HD LYS 43 2HD LYS 43 6.077 6.890 3.987 330 2HD LYS 43 3HD LYS 43 6.533 5.351 3.287 331 1HE LYS 43 2HE LYS 43 6.974 6.717 1.080 332 2HE LYS 43 3HE LYS 43 7.022 8.128 2.129 333 1HZ LYS 43 1HZ LYS 43 8.660 5.723 2.638 334 2HZ LYS 43 2HZ LYS 43 9.148 6.849 1.593 335 3HZ LYS 43 3HZ LYS 43 8.947 7.236 3.191 336 H ALA 44 H ALA 44 2.229 5.087 0.503 337 HA ALA 44 HA ALA 44 0.720 3.893 2.772 338 1HB ALA 44 1HB ALA 44 -0.546 3.827 0.665 339 2HB ALA 44 2HB ALA 44 0.849 3.120 -0.178 340 3HB ALA 44 3HB ALA 44 0.009 2.196 1.085 341 H HIS 45 H HIS 45 1.908 2.703 4.092 342 HA HIS 45 HA HIS 45 4.375 1.396 3.079 343 1HB HIS 45 2HB HIS 45 5.231 2.437 4.834 344 2HB HIS 45 3HB HIS 45 3.676 2.896 5.472 345 HD1 HIS 45 1HD HIS 45 4.843 2.645 7.814 346 HD2 HIS 45 2HD HIS 45 4.314 -0.930 5.657 347 HE1 HIS 45 1HE HIS 45 5.191 0.721 9.459 348 H ILE 46 H ILE 46 4.179 -0.713 2.666 349 HA ILE 46 HA ILE 46 2.167 -2.278 4.217 350 HB ILE 46 HB ILE 46 2.996 -2.861 1.343 351 1HG1 ILE 46 2HG1 ILE 46 0.581 -2.459 0.843 352 2HG1 ILE 46 3HG1 ILE 46 0.409 -1.654 2.414 353 1HG2 ILE 46 1HG2 ILE 46 0.746 -3.977 3.075 354 2HG2 ILE 46 2HG2 ILE 46 1.231 -4.553 1.471 355 3HG2 ILE 46 3HG2 ILE 46 2.290 -4.794 2.856 356 1HD1 ILE 46 1HD1 ILE 46 1.581 0.237 1.657 357 2HD1 ILE 46 2HD1 ILE 46 2.457 -0.678 0.408 358 3HD1 ILE 46 3HD1 ILE 46 0.734 -0.274 0.204 359 H LYS 47 H LYS 47 2.994 -3.950 5.238 360 HA LYS 47 HA LYS 47 5.688 -5.025 4.627 361 1HB LYS 47 2HB LYS 47 4.092 -5.449 7.159 362 2HB LYS 47 3HB LYS 47 5.743 -5.959 6.778 363 1HG LYS 47 2HG LYS 47 6.179 -3.368 6.481 364 2HG LYS 47 3HG LYS 47 4.665 -3.180 7.371 365 1HD LYS 47 2HD LYS 47 5.568 -4.626 9.195 366 2HD LYS 47 3HD LYS 47 7.070 -4.840 8.275 367 1HE LYS 47 2HE LYS 47 7.432 -2.344 8.342 368 2HE LYS 47 3HE LYS 47 5.997 -2.195 9.372 369 1HZ LYS 47 1HZ LYS 47 7.096 -3.558 11.009 370 2HZ LYS 47 2HZ LYS 47 8.434 -3.697 10.057 371 3HZ LYS 47 3HZ LYS 47 8.001 -2.229 10.658 372 H TYR 48 H TYR 48 5.628 -7.257 3.991 373 HA TYR 48 HA TYR 48 3.309 -8.786 3.904 374 1HB TYR 48 2HB TYR 48 2.770 -8.514 1.474 375 2HB TYR 48 3HB TYR 48 2.572 -7.006 2.310 376 HD1 TYR 48 HD1 TYR 48 4.319 -5.193 2.074 377 HD2 TYR 48 HD2 TYR 48 4.424 -8.775 -0.280 378 HE1 TYR 48 HE1 TYR 48 5.120 -3.895 0.180 379 HE2 TYR 48 HE2 TYR 48 5.286 -7.469 -2.219 380 HH TYR 48 HH TYR 48 5.580 -3.931 -2.104 381 H ASP 49 H ASP 49 3.529 -10.507 1.970 382 HA ASP 49 HA ASP 49 6.261 -11.637 2.286 383 1HB ASP 49 2HB ASP 49 3.587 -12.890 1.670 384 2HB ASP 49 3HB ASP 49 5.121 -13.734 2.007 385 HA PRO 50 HA PRO 50 5.681 -9.783 -1.991 386 1HB PRO 50 2HB PRO 50 8.411 -9.937 -2.745 387 2HB PRO 50 3HB PRO 50 7.567 -8.544 -2.016 388 1HG PRO 50 2HG PRO 50 9.184 -10.688 -0.639 389 2HG PRO 50 3HG PRO 50 9.196 -8.930 -0.336 390 1HD PRO 50 2HD PRO 50 7.838 -10.563 1.283 391 2HD PRO 50 3HD PRO 50 7.056 -9.047 0.750 392 H GLU 51 H GLU 51 7.907 -12.523 -1.531 393 HA GLU 51 HA GLU 51 7.901 -13.606 -4.015 394 1HB GLU 51 2HB GLU 51 7.764 -15.330 -1.511 395 2HB GLU 51 3HB GLU 51 8.621 -15.637 -3.029 396 1HG GLU 51 2HG GLU 51 9.372 -13.665 -0.829 397 2HG GLU 51 3HG GLU 51 10.281 -15.033 -1.448 398 H ILE 52 H ILE 52 5.263 -13.826 -1.681 399 HA ILE 52 HA ILE 52 3.832 -15.751 -3.475 400 HB ILE 52 HB ILE 52 2.191 -15.936 -1.622 401 1HG1 ILE 52 2HG1 ILE 52 4.369 -14.764 0.114 402 2HG1 ILE 52 3HG1 ILE 52 2.838 -13.958 -0.295 403 1HG2 ILE 52 1HG2 ILE 52 3.542 -17.678 -0.521 404 2HG2 ILE 52 2HG2 ILE 52 3.958 -17.626 -2.231 405 3HG2 ILE 52 3HG2 ILE 52 5.040 -16.875 -1.041 406 1HD1 ILE 52 1HD1 ILE 52 1.591 -15.884 0.725 407 2HD1 ILE 52 2HD1 ILE 52 3.148 -16.509 1.327 408 3HD1 ILE 52 3HD1 ILE 52 2.554 -14.942 1.872 409 H ILE 53 H ILE 53 3.225 -12.671 -1.806 410 HA ILE 53 HA ILE 53 0.675 -12.428 -3.195 411 HB ILE 53 HB ILE 53 0.710 -11.454 -1.101 412 1HG1 ILE 53 2HG1 ILE 53 0.934 -9.025 -2.925 413 2HG1 ILE 53 3HG1 ILE 53 -0.363 -10.217 -3.054 414 1HG2 ILE 53 1HG2 ILE 53 3.231 -9.981 -1.912 415 2HG2 ILE 53 2HG2 ILE 53 2.201 -9.423 -0.588 416 3HG2 ILE 53 3HG2 ILE 53 2.900 -11.021 -0.499 417 1HD1 ILE 53 1HD1 ILE 53 -0.846 -9.826 -0.586 418 2HD1 ILE 53 2HD1 ILE 53 0.254 -8.444 -0.646 419 3HD1 ILE 53 3HD1 ILE 53 -1.190 -8.448 -1.661 420 H GLY 54 H GLY 54 3.879 -11.010 -3.705 421 1HA GLY 54 2HA GLY 54 4.783 -10.215 -5.611 422 2HA GLY 54 1HA GLY 54 3.260 -10.352 -6.481 423 HA PRO 55 HA PRO 55 3.869 -5.875 -4.402 424 1HB PRO 55 2HB PRO 55 5.562 -4.613 -6.206 425 2HB PRO 55 3HB PRO 55 6.063 -5.313 -4.649 426 1HG PRO 55 2HG PRO 55 6.251 -6.590 -7.367 427 2HG PRO 55 3HG PRO 55 7.492 -6.530 -6.080 428 1HD PRO 55 2HD PRO 55 5.989 -8.705 -6.436 429 2HD PRO 55 3HD PRO 55 6.304 -8.157 -4.761 430 H ARG 56 H ARG 56 3.824 -7.100 -7.734 431 HA ARG 56 HA ARG 56 2.381 -5.079 -9.032 432 1HB ARG 56 2HB ARG 56 2.362 -8.099 -9.350 433 2HB ARG 56 3HB ARG 56 1.545 -7.026 -10.482 434 1HG ARG 56 2HG ARG 56 4.439 -6.410 -9.907 435 2HG ARG 56 3HG ARG 56 4.097 -7.892 -10.789 436 1HD ARG 56 2HD ARG 56 4.507 -5.990 -12.340 437 2HD ARG 56 3HD ARG 56 2.948 -6.774 -12.544 438 HE ARG 56 HE ARG 56 1.883 -4.811 -12.140 439 1HH1 ARG 56 2HH2 ARG 56 5.100 -4.509 -10.730 440 2HH1 ARG 56 1HH2 ARG 56 4.914 -2.826 -10.319 441 1HH2 ARG 56 2HH1 ARG 56 1.586 -2.744 -11.624 442 2HH2 ARG 56 1HH1 ARG 56 2.810 -1.740 -10.872 443 H ASP 57 H ASP 57 1.101 -7.731 -6.936 444 HA ASP 57 HA ASP 57 -1.652 -7.353 -7.653 445 1HB ASP 57 2HB ASP 57 -0.962 -9.400 -6.554 446 2HB ASP 57 3HB ASP 57 -0.289 -8.514 -5.181 447 H ILE 58 H ILE 58 0.228 -6.336 -4.834 448 HA ILE 58 HA ILE 58 -1.578 -4.548 -3.601 449 HB ILE 58 HB ILE 58 1.462 -4.545 -3.806 450 1HG1 ILE 58 2HG1 ILE 58 -0.358 -5.333 -1.490 451 2HG1 ILE 58 3HG1 ILE 58 0.236 -6.485 -2.684 452 1HG2 ILE 58 1HG2 ILE 58 -0.317 -2.835 -2.022 453 2HG2 ILE 58 2HG2 ILE 58 1.442 -3.004 -1.841 454 3HG2 ILE 58 3HG2 ILE 58 0.787 -2.254 -3.283 455 1HD1 ILE 58 1HD1 ILE 58 1.651 -6.580 -0.731 456 2HD1 ILE 58 2HD1 ILE 58 2.563 -5.957 -2.118 457 3HD1 ILE 58 3HD1 ILE 58 2.015 -4.856 -0.831 458 H ILE 59 H ILE 59 1.001 -3.656 -5.962 459 HA ILE 59 HA ILE 59 0.220 -0.972 -6.070 460 HB ILE 59 HB ILE 59 1.698 -2.723 -8.052 461 1HG1 ILE 59 2HG1 ILE 59 2.712 -0.489 -6.242 462 2HG1 ILE 59 3HG1 ILE 59 2.648 -2.172 -5.725 463 1HG2 ILE 59 1HG2 ILE 59 2.451 -0.598 -9.144 464 2HG2 ILE 59 2HG2 ILE 59 0.723 -0.871 -9.350 465 3HG2 ILE 59 3HG2 ILE 59 1.303 0.291 -8.138 466 1HD1 ILE 59 1HD1 ILE 59 4.310 -1.085 -8.026 467 2HD1 ILE 59 2HD1 ILE 59 4.869 -1.728 -6.477 468 3HD1 ILE 59 3HD1 ILE 59 4.104 -2.815 -7.653 469 H HIS 60 H HIS 60 -0.851 -3.607 -8.335 470 HA HIS 60 HA HIS 60 -2.501 -1.775 -9.801 471 1HB HIS 60 2HB HIS 60 -2.431 -4.791 -9.699 472 2HB HIS 60 3HB HIS 60 -3.583 -3.878 -10.685 473 HD1 HIS 60 1HD HIS 60 -2.208 -1.786 -12.213 474 HD2 HIS 60 2HD HIS 60 -0.165 -5.266 -10.978 475 HE1 HIS 60 1HE HIS 60 -0.085 -1.920 -13.603 476 H THR 61 H THR 61 -3.147 -3.739 -6.884 477 HA THR 61 HA THR 61 -5.998 -3.297 -6.988 478 HB THR 61 HB THR 61 -4.202 -3.905 -4.602 479 HG1 THR 61 1HG THR 61 -4.124 -5.589 -6.028 480 1HG2 THR 61 1HG2 THR 61 -7.232 -4.111 -4.989 481 2HG2 THR 61 2HG2 THR 61 -6.334 -4.769 -3.613 482 3HG2 THR 61 3HG2 THR 61 -6.398 -3.020 -3.861 483 H ILE 62 H ILE 62 -3.309 -1.570 -5.296 484 HA ILE 62 HA ILE 62 -5.046 0.422 -4.193 485 HB ILE 62 HB ILE 62 -2.041 0.462 -4.671 486 1HG1 ILE 62 2HG1 ILE 62 -2.259 -1.291 -3.154 487 2HG1 ILE 62 3HG1 ILE 62 -2.139 0.065 -2.068 488 1HG2 ILE 62 1HG2 ILE 62 -2.773 2.713 -4.326 489 2HG2 ILE 62 2HG2 ILE 62 -3.812 2.235 -2.957 490 3HG2 ILE 62 3HG2 ILE 62 -2.044 2.142 -2.829 491 1HD1 ILE 62 1HD1 ILE 62 -4.704 0.047 -1.951 492 2HD1 ILE 62 2HD1 ILE 62 -4.634 -1.489 -2.851 493 3HD1 ILE 62 3HD1 ILE 62 -3.870 -1.368 -1.279 494 H GLU 63 H GLU 63 -3.143 0.373 -7.215 495 HA GLU 63 HA GLU 63 -3.733 2.866 -8.303 496 1HB GLU 63 2HB GLU 63 -2.196 1.135 -9.162 497 2HB GLU 63 3HB GLU 63 -3.563 0.073 -9.476 498 1HG GLU 63 2HG GLU 63 -4.358 1.624 -11.198 499 2HG GLU 63 3HG GLU 63 -2.903 2.619 -10.920 500 H SER 64 H SER 64 -5.533 -0.199 -8.786 501 HA SER 64 HA SER 64 -7.770 0.797 -10.083 502 1HB SER 64 2HB SER 64 -7.169 -1.559 -9.912 503 2HB SER 64 3HB SER 64 -7.628 -1.582 -8.198 504 HG SER 64 HG SER 64 -9.348 -0.979 -10.387 505 H LEU 65 H LEU 65 -7.266 0.527 -6.538 506 HA LEU 65 HA LEU 65 -9.889 1.431 -5.817 507 1HB LEU 65 2HB LEU 65 -7.253 1.346 -4.349 508 2HB LEU 65 3HB LEU 65 -8.724 1.918 -3.577 509 HG LEU 65 HG LEU 65 -8.551 -0.826 -4.877 510 1HD1 LEU 65 1HD1 LEU 65 -8.197 -1.706 -2.636 511 2HD1 LEU 65 2HD1 LEU 65 -6.867 -0.631 -3.083 512 3HD1 LEU 65 3HD1 LEU 65 -8.117 -0.066 -1.954 513 1HD2 LEU 65 1HD2 LEU 65 -10.467 0.335 -2.803 514 2HD2 LEU 65 2HD2 LEU 65 -10.875 -0.028 -4.498 515 3HD2 LEU 65 3HD2 LEU 65 -10.458 -1.334 -3.391 516 H GLY 66 H GLY 66 -7.554 3.271 -7.396 517 1HA GLY 66 2HA GLY 66 -8.107 5.372 -8.203 518 2HA GLY 66 1HA GLY 66 -9.203 5.667 -6.847 519 H PHE 67 H PHE 67 -5.750 4.702 -7.157 520 HA PHE 67 HA PHE 67 -4.900 7.172 -5.770 521 1HB PHE 67 2HB PHE 67 -4.123 4.328 -5.022 522 2HB PHE 67 3HB PHE 67 -3.337 5.765 -4.388 523 HD1 PHE 67 1HD PHE 67 -4.957 7.563 -3.331 524 HD2 PHE 67 2HD PHE 67 -5.884 3.379 -3.726 525 HE1 PHE 67 1HE PHE 67 -6.923 7.843 -1.846 526 HE2 PHE 67 2HE PHE 67 -7.675 3.614 -2.045 527 HZ PHE 67 HZ PHE 67 -8.251 5.873 -1.157 528 H GLU 68 H GLU 68 -2.524 7.446 -5.963 529 HA GLU 68 HA GLU 68 -1.479 6.190 -8.442 530 1HB GLU 68 2HB GLU 68 -1.973 8.635 -8.411 531 2HB GLU 68 3HB GLU 68 -0.687 8.823 -7.208 532 1HG GLU 68 2HG GLU 68 0.064 7.438 -9.764 533 2HG GLU 68 3HG GLU 68 -0.338 9.156 -9.865 534 HA PRO 69 HA PRO 69 1.100 4.390 -5.100 535 1HB PRO 69 2HB PRO 69 1.318 1.853 -6.029 536 2HB PRO 69 3HB PRO 69 -0.056 2.489 -5.087 537 1HG PRO 69 2HG PRO 69 0.126 2.228 -8.084 538 2HG PRO 69 3HG PRO 69 -1.178 1.684 -6.976 539 1HD PRO 69 2HD PRO 69 -1.320 4.020 -8.345 540 2HD PRO 69 3HD PRO 69 -1.916 3.905 -6.660 541 H SER 70 H SER 70 2.578 6.074 -6.110 542 HA SER 70 HA SER 70 4.496 5.179 -8.095 543 1HB SER 70 2HB SER 70 5.646 7.271 -6.629 544 2HB SER 70 3HB SER 70 4.761 7.380 -8.156 545 HG SER 70 HG SER 70 2.948 7.886 -7.154 546 H LEU 71 H LEU 71 5.895 3.593 -7.656 547 HA LEU 71 HA LEU 71 6.879 2.862 -5.071 548 1HB LEU 71 2HB LEU 71 6.651 1.516 -7.264 549 2HB LEU 71 3HB LEU 71 8.184 2.233 -7.761 550 HG LEU 71 HG LEU 71 7.625 0.670 -5.220 551 1HD1 LEU 71 1HD1 LEU 71 7.429 -0.737 -7.236 552 2HD1 LEU 71 2HD1 LEU 71 9.038 -0.210 -7.777 553 3HD1 LEU 71 3HD1 LEU 71 8.868 -1.191 -6.306 554 1HD2 LEU 71 1HD2 LEU 71 9.570 2.080 -4.807 555 2HD2 LEU 71 2HD2 LEU 71 10.166 0.447 -5.104 556 3HD2 LEU 71 3HD2 LEU 71 10.267 1.658 -6.391 557 H VAL 72 H VAL 72 7.329 5.061 -4.430 558 HA VAL 72 HA VAL 72 8.969 6.928 -5.432 559 HB VAL 72 HB VAL 72 7.821 7.561 -3.608 560 1HG1 VAL 72 1HG1 VAL 72 7.151 5.560 -2.537 561 2HG1 VAL 72 2HG1 VAL 72 8.799 5.147 -2.059 562 3HG1 VAL 72 3HG1 VAL 72 7.972 6.525 -1.320 563 1HG2 VAL 72 1HG2 VAL 72 10.107 8.509 -3.547 564 2HG2 VAL 72 2HG2 VAL 72 9.328 8.443 -1.957 565 3HG2 VAL 72 3HG2 VAL 72 10.579 7.266 -2.369 566 H LYS 73 H LYS 73 10.543 4.839 -2.883 567 HA LYS 73 HA LYS 73 12.339 3.560 -3.030 568 1HB LYS 73 2HB LYS 73 12.061 3.299 -5.510 569 2HB LYS 73 3HB LYS 73 13.118 4.707 -5.739 570 1HG LYS 73 2HG LYS 73 14.941 3.584 -4.594 571 2HG LYS 73 3HG LYS 73 13.908 2.165 -4.277 572 1HD LYS 73 2HD LYS 73 13.577 1.808 -6.678 573 2HD LYS 73 3HD LYS 73 14.522 3.241 -7.077 574 1HE LYS 73 2HE LYS 73 15.584 0.741 -5.651 575 2HE LYS 73 3HE LYS 73 15.782 1.099 -7.372 576 1HZ LYS 73 1HZ LYS 73 17.016 3.073 -6.761 577 2HZ LYS 73 2HZ LYS 73 16.874 2.711 -5.163 578 3HZ LYS 73 3HZ LYS 73 17.723 1.717 -6.156 579 H ILE 74 H ILE 74 14.275 3.968 -2.104 580 HA ILE 74 HA ILE 74 15.634 5.113 -0.716 581 HB ILE 74 HB ILE 74 15.264 7.667 -2.323 582 1HG1 ILE 74 2HG1 ILE 74 16.026 6.047 -3.945 583 2HG1 ILE 74 3HG1 ILE 74 17.338 7.128 -3.506 584 1HG2 ILE 74 1HG2 ILE 74 17.479 8.190 -1.352 585 2HG2 ILE 74 2HG2 ILE 74 16.230 7.968 -0.120 586 3HG2 ILE 74 3HG2 ILE 74 17.414 6.685 -0.410 587 1HD1 ILE 74 1HD1 ILE 74 18.324 5.374 -2.049 588 2HD1 ILE 74 2HD1 ILE 74 16.995 4.273 -2.478 589 3HD1 ILE 74 3HD1 ILE 74 18.131 4.824 -3.718 590 H GLU 75 H GLU 75 13.674 4.441 0.319 591 HA GLU 75 HA GLU 75 11.880 4.567 1.619 592 1HB GLU 75 2HB GLU 75 11.956 7.608 1.575 593 2HB GLU 75 3HB GLU 75 11.049 6.510 2.618 594 1HG GLU 75 2HG GLU 75 13.135 5.678 3.630 595 2HG GLU 75 3HG GLU 75 14.041 6.883 2.689 Start of MODEL 28 1 1H MET 1 H1 MET 1 13.259 -10.705 2.494 2 2H MET 1 H2 MET 1 13.979 -9.331 1.936 3 3H MET 1 H3 MET 1 12.371 -9.629 1.701 4 HA MET 1 HA MET 1 13.655 -9.985 -0.328 5 1HB MET 1 2HB MET 1 14.779 -12.299 1.329 6 2HB MET 1 3HB MET 1 14.920 -12.149 -0.429 7 1HG MET 1 2HG MET 1 16.087 -10.234 1.628 8 2HG MET 1 3HG MET 1 16.960 -11.426 0.666 9 1HE MET 1 1HE MET 1 17.830 -8.376 0.912 10 2HE MET 1 2HE MET 1 18.712 -9.595 -0.045 11 3HE MET 1 3HE MET 1 18.262 -8.039 -0.781 12 H GLY 2 H GLY 2 12.750 -12.979 1.491 13 1HA GLY 2 2HA GLY 2 10.583 -13.577 -0.386 14 2HA GLY 2 1HA GLY 2 10.962 -14.407 1.140 15 H ASP 3 H ASP 3 11.112 -12.340 2.851 16 HA ASP 3 HA ASP 3 8.544 -11.204 3.530 17 1HB ASP 3 2HB ASP 3 10.025 -10.083 5.218 18 2HB ASP 3 3HB ASP 3 10.330 -11.828 5.173 19 H GLY 4 H GLY 4 8.112 -8.875 3.411 20 1HA GLY 4 2HA GLY 4 10.163 -7.092 2.246 21 2HA GLY 4 1HA GLY 4 8.682 -7.324 1.306 22 H VAL 5 H VAL 5 10.141 -5.468 3.710 23 HA VAL 5 HA VAL 5 7.584 -4.153 4.465 24 HB VAL 5 HB VAL 5 10.408 -3.216 5.063 25 1HG1 VAL 5 1HG1 VAL 5 8.779 -1.403 5.026 26 2HG1 VAL 5 2HG1 VAL 5 7.679 -2.319 6.066 27 3HG1 VAL 5 3HG1 VAL 5 9.244 -1.765 6.690 28 1HG2 VAL 5 1HG2 VAL 5 8.405 -4.730 6.814 29 2HG2 VAL 5 2HG2 VAL 5 9.988 -5.332 6.283 30 3HG2 VAL 5 3HG2 VAL 5 9.892 -3.962 7.400 31 H LEU 6 H LEU 6 6.933 -3.776 2.242 32 HA LEU 6 HA LEU 6 8.832 -2.182 0.567 33 1HB LEU 6 2HB LEU 6 7.748 -4.110 -0.505 34 2HB LEU 6 3HB LEU 6 6.159 -3.373 -0.165 35 HG LEU 6 HG LEU 6 6.818 -1.418 -1.591 36 1HD1 LEU 6 1HD1 LEU 6 9.258 -1.497 -1.503 37 2HD1 LEU 6 2HD1 LEU 6 9.263 -3.125 -2.221 38 3HD1 LEU 6 3HD1 LEU 6 8.729 -1.722 -3.170 39 1HD2 LEU 6 1HD2 LEU 6 5.486 -3.313 -2.475 40 2HD2 LEU 6 2HD2 LEU 6 6.535 -2.615 -3.723 41 3HD2 LEU 6 3HD2 LEU 6 6.985 -4.145 -2.938 42 H GLU 7 H GLU 7 8.657 -0.022 0.719 43 HA GLU 7 HA GLU 7 6.080 1.243 1.475 44 1HB GLU 7 2HB GLU 7 8.725 2.537 0.753 45 2HB GLU 7 3HB GLU 7 7.268 3.298 1.392 46 1HG GLU 7 2HG GLU 7 7.572 1.837 3.478 47 2HG GLU 7 3HG GLU 7 9.171 1.404 2.862 48 H LEU 8 H LEU 8 4.750 2.059 -0.105 49 HA LEU 8 HA LEU 8 6.076 2.949 -2.552 50 1HB LEU 8 2HB LEU 8 3.738 2.594 -3.714 51 2HB LEU 8 3HB LEU 8 4.980 1.372 -3.798 52 HG LEU 8 HG LEU 8 2.987 1.160 -1.542 53 1HD1 LEU 8 1HD1 LEU 8 1.441 -0.061 -3.021 54 2HD1 LEU 8 2HD1 LEU 8 1.572 1.638 -3.474 55 3HD1 LEU 8 3HD1 LEU 8 2.416 0.404 -4.435 56 1HD2 LEU 8 1HD2 LEU 8 3.299 -1.295 -2.202 57 2HD2 LEU 8 2HD2 LEU 8 4.503 -0.780 -3.378 58 3HD2 LEU 8 3HD2 LEU 8 4.782 -0.494 -1.650 59 H VAL 9 H VAL 9 5.634 4.977 -3.020 60 HA VAL 9 HA VAL 9 3.794 6.563 -1.327 61 HB VAL 9 HB VAL 9 5.684 7.181 -3.609 62 1HG1 VAL 9 1HG1 VAL 9 5.145 9.561 -3.326 63 2HG1 VAL 9 2HG1 VAL 9 3.745 8.661 -3.928 64 3HG1 VAL 9 3HG1 VAL 9 3.828 9.146 -2.215 65 1HG2 VAL 9 1HG2 VAL 9 6.607 6.849 -1.296 66 2HG2 VAL 9 2HG2 VAL 9 6.771 8.519 -1.850 67 3HG2 VAL 9 3HG2 VAL 9 5.495 8.106 -0.694 68 H VAL 10 H VAL 10 1.789 7.363 -2.128 69 HA VAL 10 HA VAL 10 0.767 6.096 -4.615 70 HB VAL 10 HB VAL 10 -1.154 5.249 -3.501 71 1HG1 VAL 10 1HG1 VAL 10 -0.120 3.362 -2.346 72 2HG1 VAL 10 2HG1 VAL 10 0.918 3.829 -3.704 73 3HG1 VAL 10 3HG1 VAL 10 1.347 4.288 -2.045 74 1HG2 VAL 10 1HG2 VAL 10 0.025 6.354 -0.975 75 2HG2 VAL 10 2HG2 VAL 10 -1.630 6.492 -1.655 76 3HG2 VAL 10 3HG2 VAL 10 -1.088 4.964 -0.986 77 H ARG 11 H ARG 11 0.685 8.025 -5.693 78 HA ARG 11 HA ARG 11 -0.255 10.493 -4.439 79 1HB ARG 11 2HB ARG 11 0.683 9.727 -7.169 80 2HB ARG 11 3HB ARG 11 -0.537 10.992 -7.103 81 1HG ARG 11 2HG ARG 11 1.458 12.163 -7.075 82 2HG ARG 11 3HG ARG 11 0.896 12.222 -5.403 83 1HD ARG 11 2HD ARG 11 2.470 10.286 -4.916 84 2HD ARG 11 3HD ARG 11 3.033 10.389 -6.570 85 HE ARG 11 HE ARG 11 4.017 12.519 -6.198 86 1HH1 ARG 11 2HH2 ARG 11 2.717 11.189 -3.148 87 2HH1 ARG 11 1HH2 ARG 11 3.746 12.231 -2.178 88 1HH2 ARG 11 2HH1 ARG 11 5.439 13.776 -4.794 89 2HH2 ARG 11 1HH1 ARG 11 5.372 13.499 -3.077 90 H GLY 12 H GLY 12 -2.259 11.466 -4.439 91 1HA GLY 12 2HA GLY 12 -4.391 11.678 -5.652 92 2HA GLY 12 1HA GLY 12 -4.535 9.923 -5.675 93 H MET 13 H MET 13 -3.380 9.884 -2.778 94 HA MET 13 HA MET 13 -5.887 9.900 -1.423 95 1HB MET 13 2HB MET 13 -3.092 10.182 -0.245 96 2HB MET 13 3HB MET 13 -4.572 9.827 0.657 97 1HG MET 13 2HG MET 13 -4.849 7.774 -0.841 98 2HG MET 13 3HG MET 13 -3.196 8.059 -1.371 99 1HE MET 13 1HE MET 13 -1.196 7.516 1.968 100 2HE MET 13 2HE MET 13 -1.125 8.027 0.265 101 3HE MET 13 3HE MET 13 -1.857 9.096 1.487 102 H THR 14 H THR 14 -6.682 11.343 0.191 103 HA THR 14 HA THR 14 -5.467 13.891 0.686 104 HB THR 14 HB THR 14 -6.194 14.504 -1.498 105 HG1 THR 14 1HG THR 14 -6.539 16.048 0.095 106 1HG2 THR 14 1HG2 THR 14 -8.416 14.418 -2.347 107 2HG2 THR 14 2HG2 THR 14 -7.983 12.773 -1.871 108 3HG2 THR 14 3HG2 THR 14 -9.070 13.755 -0.852 109 H CYS 15 H CYS 15 -8.750 12.346 0.625 110 HA CYS 15 HA CYS 15 -9.379 13.636 3.161 111 1HB CYS 15 2HB CYS 15 -11.560 12.698 2.923 112 2HB CYS 15 3HB CYS 15 -11.064 13.291 1.325 113 HG CYS 15 HG CYS 15 -12.418 11.056 1.129 114 H ALA 16 H ALA 16 -9.956 12.543 5.086 115 HA ALA 16 HA ALA 16 -8.169 10.824 6.213 116 1HB ALA 16 1HB ALA 16 -9.898 10.319 7.900 117 2HB ALA 16 2HB ALA 16 -9.880 12.047 7.487 118 3HB ALA 16 3HB ALA 16 -11.149 10.982 6.834 119 H SER 17 H SER 17 -11.297 9.814 4.725 120 HA SER 17 HA SER 17 -11.372 7.190 5.230 121 1HB SER 17 2HB SER 17 -11.981 8.307 2.478 122 2HB SER 17 3HB SER 17 -12.851 7.059 3.392 123 HG SER 17 HG SER 17 -13.925 9.079 3.557 124 H CYS 18 H CYS 18 -9.264 8.721 2.742 125 HA CYS 18 HA CYS 18 -8.514 6.495 1.235 126 1HB CYS 18 2HB CYS 18 -6.830 8.867 2.164 127 2HB CYS 18 3HB CYS 18 -6.389 7.752 0.865 128 HG CYS 18 HG CYS 18 -8.214 8.277 -0.759 129 H VAL 19 H VAL 19 -7.318 7.564 4.445 130 HA VAL 19 HA VAL 19 -5.096 5.913 4.659 131 HB VAL 19 HB VAL 19 -7.027 6.875 6.813 132 1HG1 VAL 19 1HG1 VAL 19 -4.211 5.781 7.178 133 2HG1 VAL 19 2HG1 VAL 19 -5.238 6.501 8.423 134 3HG1 VAL 19 3HG1 VAL 19 -5.704 4.969 7.683 135 1HG2 VAL 19 1HG2 VAL 19 -5.287 8.595 7.203 136 2HG2 VAL 19 2HG2 VAL 19 -4.346 7.951 5.840 137 3HG2 VAL 19 3HG2 VAL 19 -5.931 8.705 5.563 138 H HIS 20 H HIS 20 -8.389 5.305 6.035 139 HA HIS 20 HA HIS 20 -7.734 2.608 6.674 140 1HB HIS 20 2HB HIS 20 -9.494 2.789 7.951 141 2HB HIS 20 3HB HIS 20 -9.735 4.432 7.390 142 HD1 HIS 20 1HD HIS 20 -11.858 1.884 8.159 143 HD2 HIS 20 2HD HIS 20 -11.155 3.957 4.573 144 HE1 HIS 20 1HE HIS 20 -13.982 1.723 6.777 145 H LYS 21 H LYS 21 -8.977 4.179 3.764 146 HA LYS 21 HA LYS 21 -10.106 1.915 2.584 147 1HB LYS 21 2HB LYS 21 -9.742 4.523 1.750 148 2HB LYS 21 3HB LYS 21 -8.692 3.647 0.644 149 1HG LYS 21 2HG LYS 21 -11.658 3.193 1.191 150 2HG LYS 21 3HG LYS 21 -10.942 3.921 -0.255 151 1HD LYS 21 2HD LYS 21 -9.799 1.740 -0.749 152 2HD LYS 21 3HD LYS 21 -10.633 1.008 0.633 153 1HE LYS 21 2HE LYS 21 -12.842 1.716 -0.403 154 2HE LYS 21 3HE LYS 21 -11.946 2.203 -1.850 155 1HZ LYS 21 1HZ LYS 21 -12.844 0.007 -2.060 156 2HZ LYS 21 2HZ LYS 21 -11.206 -0.096 -2.050 157 3HZ LYS 21 3HZ LYS 21 -12.065 -0.518 -0.712 158 H ILE 22 H ILE 22 -6.757 3.146 2.419 159 HA ILE 22 HA ILE 22 -5.926 0.882 0.770 160 HB ILE 22 HB ILE 22 -4.192 2.909 2.235 161 1HG1 ILE 22 2HG1 ILE 22 -5.418 2.837 -0.542 162 2HG1 ILE 22 3HG1 ILE 22 -5.629 4.041 0.760 163 1HG2 ILE 22 1HG2 ILE 22 -3.694 0.851 0.059 164 2HG2 ILE 22 2HG2 ILE 22 -2.527 2.128 0.437 165 3HG2 ILE 22 3HG2 ILE 22 -2.926 0.926 1.663 166 1HD1 ILE 22 1HD1 ILE 22 -3.151 4.528 0.521 167 2HD1 ILE 22 2HD1 ILE 22 -3.259 3.708 -1.061 168 3HD1 ILE 22 3HD1 ILE 22 -4.266 5.126 -0.726 169 H GLU 23 H GLU 23 -5.391 1.892 4.175 170 HA GLU 23 HA GLU 23 -3.922 -0.269 5.021 171 1HB GLU 23 2HB GLU 23 -5.059 1.963 6.194 172 2HB GLU 23 3HB GLU 23 -5.935 0.692 7.019 173 1HG GLU 23 2HG GLU 23 -3.884 -0.142 7.964 174 2HG GLU 23 3HG GLU 23 -2.891 0.653 6.727 175 H SER 24 H SER 24 -7.497 -0.037 4.987 176 HA SER 24 HA SER 24 -7.910 -2.714 5.990 177 1HB SER 24 2HB SER 24 -9.588 -0.880 6.172 178 2HB SER 24 3HB SER 24 -9.848 -0.973 4.416 179 HG SER 24 HG SER 24 -10.180 -3.145 6.219 180 H SER 25 H SER 25 -7.962 -1.262 2.674 181 HA SER 25 HA SER 25 -8.693 -3.620 1.309 182 1HB SER 25 2HB SER 25 -8.669 -1.354 0.361 183 2HB SER 25 3HB SER 25 -6.898 -1.383 0.319 184 HG SER 25 HG SER 25 -7.189 -3.341 -1.014 185 H LEU 26 H LEU 26 -5.591 -2.645 2.644 186 HA LEU 26 HA LEU 26 -4.193 -4.966 1.479 187 1HB LEU 26 2HB LEU 26 -3.463 -2.604 3.159 188 2HB LEU 26 3HB LEU 26 -2.452 -4.032 3.274 189 HG LEU 26 HG LEU 26 -3.052 -3.513 0.439 190 1HD1 LEU 26 1HD1 LEU 26 -1.707 -1.450 0.234 191 2HD1 LEU 26 2HD1 LEU 26 -3.303 -1.225 0.978 192 3HD1 LEU 26 3HD1 LEU 26 -1.826 -1.212 1.984 193 1HD2 LEU 26 1HD2 LEU 26 -0.500 -3.376 2.037 194 2HD2 LEU 26 2HD2 LEU 26 -1.179 -4.879 1.377 195 3HD2 LEU 26 3HD2 LEU 26 -0.639 -3.609 0.269 196 H THR 27 H THR 27 -5.174 -4.038 4.823 197 HA THR 27 HA THR 27 -4.501 -6.686 5.858 198 HB THR 27 HB THR 27 -5.527 -5.872 7.953 199 HG1 THR 27 1HG THR 27 -5.724 -3.393 6.593 200 1HG2 THR 27 1HG2 THR 27 -3.120 -5.583 7.527 201 2HG2 THR 27 2HG2 THR 27 -3.435 -4.054 6.680 202 3HG2 THR 27 3HG2 THR 27 -3.768 -4.192 8.417 203 H LYS 28 H LYS 28 -5.645 -7.649 4.115 204 HA LYS 28 HA LYS 28 -8.086 -8.864 4.967 205 1HB LYS 28 2HB LYS 28 -9.638 -8.073 3.345 206 2HB LYS 28 3HB LYS 28 -8.923 -6.676 4.152 207 1HG LYS 28 2HG LYS 28 -8.851 -5.886 2.068 208 2HG LYS 28 3HG LYS 28 -7.279 -6.677 2.095 209 1HD LYS 28 2HD LYS 28 -8.477 -8.718 1.002 210 2HD LYS 28 3HD LYS 28 -9.912 -7.689 0.898 211 1HE LYS 28 2HE LYS 28 -8.636 -6.052 -0.487 212 2HE LYS 28 3HE LYS 28 -7.186 -7.056 -0.343 213 1HZ LYS 28 1HZ LYS 28 -8.274 -7.413 -2.412 214 2HZ LYS 28 2HZ LYS 28 -8.322 -8.794 -1.524 215 3HZ LYS 28 3HZ LYS 28 -9.675 -7.867 -1.678 216 H HIS 29 H HIS 29 -5.800 -8.210 2.248 217 HA HIS 29 HA HIS 29 -6.326 -10.871 1.124 218 1HB HIS 29 2HB HIS 29 -4.625 -10.340 -0.472 219 2HB HIS 29 3HB HIS 29 -5.791 -9.025 -0.381 220 HD1 HIS 29 1HD HIS 29 -2.243 -9.855 0.941 221 HD2 HIS 29 2HD HIS 29 -4.670 -6.613 -0.271 222 HE1 HIS 29 1HE HIS 29 -0.736 -7.796 0.811 223 H ARG 30 H ARG 30 -4.962 -12.642 1.402 224 HA ARG 30 HA ARG 30 -3.419 -12.823 3.808 225 1HB ARG 30 2HB ARG 30 -4.536 -14.715 2.641 226 2HB ARG 30 3HB ARG 30 -3.358 -14.597 1.321 227 1HG ARG 30 2HG ARG 30 -1.548 -15.256 2.800 228 2HG ARG 30 3HG ARG 30 -2.595 -15.095 4.234 229 1HD ARG 30 2HD ARG 30 -3.988 -16.954 3.425 230 2HD ARG 30 3HD ARG 30 -2.966 -17.094 1.967 231 HE ARG 30 HE ARG 30 -1.263 -17.256 4.206 232 1HH1 ARG 30 2HH2 ARG 30 -3.859 -19.131 2.749 233 2HH1 ARG 30 1HH2 ARG 30 -3.318 -20.670 3.344 234 1HH2 ARG 30 2HH1 ARG 30 -0.490 -19.279 5.018 235 2HH2 ARG 30 1HH1 ARG 30 -1.341 -20.746 4.670 236 H GLY 31 H GLY 31 -0.992 -13.336 3.801 237 1HA GLY 31 2HA GLY 31 1.140 -13.142 2.925 238 2HA GLY 31 1HA GLY 31 0.546 -12.285 1.504 239 H ILE 32 H ILE 32 -1.016 -10.245 3.116 240 HA ILE 32 HA ILE 32 1.062 -8.513 4.072 241 HB ILE 32 HB ILE 32 -1.745 -8.369 3.504 242 1HG1 ILE 32 2HG1 ILE 32 0.094 -6.723 2.842 243 2HG1 ILE 32 3HG1 ILE 32 -1.450 -6.044 3.403 244 1HG2 ILE 32 1HG2 ILE 32 -2.428 -6.855 5.368 245 2HG2 ILE 32 2HG2 ILE 32 -2.410 -8.590 5.776 246 3HG2 ILE 32 3HG2 ILE 32 -1.113 -7.506 6.341 247 1HD1 ILE 32 1HD1 ILE 32 -0.533 -5.507 5.547 248 2HD1 ILE 32 2HD1 ILE 32 0.890 -6.521 5.230 249 3HD1 ILE 32 3HD1 ILE 32 0.669 -4.977 4.382 250 H LEU 33 H LEU 33 1.920 -8.461 6.023 251 HA LEU 33 HA LEU 33 0.826 -10.075 8.298 252 1HB LEU 33 2HB LEU 33 3.413 -8.449 8.049 253 2HB LEU 33 3HB LEU 33 2.828 -9.257 9.493 254 HG LEU 33 HG LEU 33 4.548 -10.513 8.610 255 1HD1 LEU 33 1HD1 LEU 33 3.557 -12.716 8.304 256 2HD1 LEU 33 2HD1 LEU 33 2.599 -11.808 9.491 257 3HD1 LEU 33 3HD1 LEU 33 2.008 -12.007 7.823 258 1HD2 LEU 33 1HD2 LEU 33 4.515 -9.710 6.270 259 2HD2 LEU 33 2HD2 LEU 33 4.748 -11.456 6.432 260 3HD2 LEU 33 3HD2 LEU 33 3.172 -10.838 5.932 261 H TYR 34 H TYR 34 2.001 -6.813 7.374 262 HA TYR 34 HA TYR 34 -0.090 -5.540 9.065 263 1HB TYR 34 2HB TYR 34 1.856 -6.061 10.539 264 2HB TYR 34 3HB TYR 34 2.907 -5.200 9.447 265 HD1 TYR 34 HD1 TYR 34 0.031 -4.732 11.787 266 HD2 TYR 34 HD2 TYR 34 3.107 -2.825 9.449 267 HE1 TYR 34 HE1 TYR 34 -0.511 -2.545 12.837 268 HE2 TYR 34 HE2 TYR 34 2.614 -0.673 10.547 269 HH TYR 34 HH TYR 34 0.883 0.463 11.654 270 H CYS 35 H CYS 35 -0.472 -3.338 8.524 271 HA CYS 35 HA CYS 35 0.975 -2.239 6.160 272 1HB CYS 35 2HB CYS 35 -1.315 -3.194 5.471 273 2HB CYS 35 3HB CYS 35 -2.042 -2.087 6.645 274 HG CYS 35 HG CYS 35 -2.286 -1.352 4.208 275 H SER 36 H SER 36 1.156 0.072 6.286 276 HA SER 36 HA SER 36 -0.822 1.384 7.884 277 1HB SER 36 2HB SER 36 2.062 2.065 8.567 278 2HB SER 36 3HB SER 36 0.612 2.939 9.096 279 HG SER 36 HG SER 36 0.199 0.426 9.694 280 H VAL 37 H VAL 37 -1.532 3.131 6.655 281 HA VAL 37 HA VAL 37 0.412 4.229 4.677 282 HB VAL 37 HB VAL 37 -1.541 4.934 3.402 283 1HG1 VAL 37 1HG1 VAL 37 -2.500 2.185 3.799 284 2HG1 VAL 37 2HG1 VAL 37 -1.716 2.951 2.405 285 3HG1 VAL 37 3HG1 VAL 37 -0.747 2.222 3.701 286 1HG2 VAL 37 1HG2 VAL 37 -3.770 4.308 3.986 287 2HG2 VAL 37 2HG2 VAL 37 -3.251 3.509 5.478 288 3HG2 VAL 37 3HG2 VAL 37 -3.085 5.277 5.312 289 H ALA 38 H ALA 38 0.127 6.601 4.240 290 HA ALA 38 HA ALA 38 -0.821 8.193 6.548 291 1HB ALA 38 1HB ALA 38 1.304 9.351 6.797 292 2HB ALA 38 2HB ALA 38 1.458 7.631 7.228 293 3HB ALA 38 3HB ALA 38 2.084 8.215 5.667 294 H LEU 39 H LEU 39 -1.481 10.151 5.985 295 HA LEU 39 HA LEU 39 -1.894 10.717 3.175 296 1HB LEU 39 2HB LEU 39 -2.469 12.383 5.658 297 2HB LEU 39 3HB LEU 39 -2.978 12.799 4.018 298 HG LEU 39 HG LEU 39 -3.851 10.320 5.555 299 1HD1 LEU 39 1HD1 LEU 39 -6.023 11.471 5.674 300 2HD1 LEU 39 2HD1 LEU 39 -4.762 12.432 6.463 301 3HD1 LEU 39 3HD1 LEU 39 -5.341 12.883 4.844 302 1HD2 LEU 39 1HD2 LEU 39 -3.936 9.806 3.171 303 2HD2 LEU 39 2HD2 LEU 39 -5.577 10.184 3.697 304 3HD2 LEU 39 3HD2 LEU 39 -4.646 11.399 2.807 305 H ALA 40 H ALA 40 -0.112 12.479 5.758 306 HA ALA 40 HA ALA 40 0.853 14.567 4.170 307 1HB ALA 40 1HB ALA 40 1.013 14.551 6.623 308 2HB ALA 40 2HB ALA 40 2.199 13.227 6.562 309 3HB ALA 40 3HB ALA 40 2.610 14.818 5.895 310 H THR 41 H THR 41 2.527 11.484 4.996 311 HA THR 41 HA THR 41 4.655 11.914 3.111 312 HB THR 41 HB THR 41 3.863 9.347 4.494 313 HG1 THR 41 1HG THR 41 5.024 11.708 5.551 314 1HG2 THR 41 1HG2 THR 41 5.968 9.428 3.013 315 2HG2 THR 41 2HG2 THR 41 6.625 10.596 4.171 316 3HG2 THR 41 3HG2 THR 41 6.233 8.957 4.707 317 H ASN 42 H ASN 42 1.464 11.216 2.515 318 HA ASN 42 HA ASN 42 0.289 10.012 0.969 319 1HB ASN 42 2HB ASN 42 1.248 12.001 -0.193 320 2HB ASN 42 3HB ASN 42 2.648 11.020 -0.660 321 1HD2 ASN 42 1HD2 ASN 42 -0.954 10.650 -0.667 322 2HD2 ASN 42 2HD2 ASN 42 -0.984 9.828 -2.226 323 H LYS 43 H LYS 43 1.546 8.255 2.507 324 HA LYS 43 HA LYS 43 3.109 6.454 0.704 325 1HB LYS 43 2HB LYS 43 4.408 7.599 2.413 326 2HB LYS 43 3HB LYS 43 3.423 6.880 3.689 327 1HG LYS 43 2HG LYS 43 4.265 4.735 3.341 328 2HG LYS 43 3HG LYS 43 4.704 5.028 1.657 329 1HD LYS 43 2HD LYS 43 6.162 6.293 4.014 330 2HD LYS 43 3HD LYS 43 6.608 4.768 3.247 331 1HE LYS 43 2HE LYS 43 6.763 5.989 1.012 332 2HE LYS 43 3HE LYS 43 6.505 7.511 1.848 333 1HZ LYS 43 1HZ LYS 43 8.544 7.092 3.078 334 2HZ LYS 43 2HZ LYS 43 8.788 5.697 2.260 335 3HZ LYS 43 3HZ LYS 43 8.777 7.131 1.437 336 H ALA 44 H ALA 44 2.693 4.298 0.699 337 HA ALA 44 HA ALA 44 0.951 3.174 2.811 338 1HB ALA 44 1HB ALA 44 1.296 2.190 -0.061 339 2HB ALA 44 2HB ALA 44 0.362 1.380 1.216 340 3HB ALA 44 3HB ALA 44 -0.163 2.959 0.587 341 H HIS 45 H HIS 45 2.299 2.097 4.221 342 HA HIS 45 HA HIS 45 4.667 0.738 3.032 343 1HB HIS 45 2HB HIS 45 5.836 0.849 4.863 344 2HB HIS 45 3HB HIS 45 4.899 2.310 5.132 345 HD1 HIS 45 1HD HIS 45 4.750 2.338 7.694 346 HD2 HIS 45 2HD HIS 45 4.300 -1.509 6.051 347 HE1 HIS 45 1HE HIS 45 4.583 0.705 9.648 348 H ILE 46 H ILE 46 4.623 -1.378 2.844 349 HA ILE 46 HA ILE 46 2.368 -2.927 4.047 350 HB ILE 46 HB ILE 46 3.872 -3.446 1.471 351 1HG1 ILE 46 2HG1 ILE 46 1.513 -2.938 0.460 352 2HG1 ILE 46 3HG1 ILE 46 1.257 -1.949 1.911 353 1HG2 ILE 46 1HG2 ILE 46 2.791 -5.335 2.769 354 2HG2 ILE 46 2HG2 ILE 46 1.240 -4.611 2.357 355 3HG2 ILE 46 3HG2 ILE 46 2.306 -5.169 1.074 356 1HD1 ILE 46 1HD1 ILE 46 2.070 -0.765 -0.181 357 2HD1 ILE 46 2HD1 ILE 46 3.090 -0.480 1.224 358 3HD1 ILE 46 3HD1 ILE 46 3.604 -1.654 0.004 359 H LYS 47 H LYS 47 3.161 -4.282 5.507 360 HA LYS 47 HA LYS 47 5.874 -5.523 5.259 361 1HB LYS 47 2HB LYS 47 3.993 -5.724 7.609 362 2HB LYS 47 3HB LYS 47 5.645 -6.320 7.445 363 1HG LYS 47 2HG LYS 47 6.280 -3.819 7.068 364 2HG LYS 47 3HG LYS 47 4.655 -3.462 7.681 365 1HD LYS 47 2HD LYS 47 5.172 -4.890 9.692 366 2HD LYS 47 3HD LYS 47 6.816 -5.110 9.071 367 1HE LYS 47 2HE LYS 47 7.174 -2.623 9.162 368 2HE LYS 47 3HE LYS 47 5.535 -2.416 9.798 369 1HZ LYS 47 1HZ LYS 47 6.166 -3.673 11.726 370 2HZ LYS 47 2HZ LYS 47 7.698 -3.877 11.152 371 3HZ LYS 47 3HZ LYS 47 7.152 -2.374 11.534 372 H TYR 48 H TYR 48 5.464 -7.062 3.677 373 HA TYR 48 HA TYR 48 3.388 -9.053 4.272 374 1HB TYR 48 2HB TYR 48 2.499 -9.052 2.066 375 2HB TYR 48 3HB TYR 48 2.453 -7.408 2.606 376 HD1 TYR 48 HD1 TYR 48 4.874 -6.075 1.904 377 HD2 TYR 48 HD2 TYR 48 3.152 -9.496 -0.060 378 HE1 TYR 48 HE1 TYR 48 6.143 -5.576 -0.135 379 HE2 TYR 48 HE2 TYR 48 4.134 -8.757 -2.205 380 HH TYR 48 HH TYR 48 5.528 -7.233 -3.229 381 H ASP 49 H ASP 49 3.643 -10.941 2.618 382 HA ASP 49 HA ASP 49 6.513 -11.679 2.359 383 1HB ASP 49 2HB ASP 49 3.974 -13.286 2.332 384 2HB ASP 49 3HB ASP 49 5.633 -13.933 2.223 385 HA PRO 50 HA PRO 50 5.306 -10.709 -2.093 386 1HB PRO 50 2HB PRO 50 7.985 -10.373 -2.890 387 2HB PRO 50 3HB PRO 50 6.865 -9.077 -2.410 388 1HG PRO 50 2HG PRO 50 8.924 -10.478 -0.725 389 2HG PRO 50 3HG PRO 50 8.550 -8.734 -0.781 390 1HD PRO 50 2HD PRO 50 7.596 -10.271 1.198 391 2HD PRO 50 3HD PRO 50 6.543 -9.048 0.474 392 H GLU 51 H GLU 51 7.517 -13.007 -0.559 393 HA GLU 51 HA GLU 51 8.065 -14.726 -2.663 394 1HB GLU 51 2HB GLU 51 8.728 -14.894 -0.216 395 2HB GLU 51 3HB GLU 51 7.149 -15.606 0.116 396 1HG GLU 51 2HG GLU 51 7.689 -17.492 -1.379 397 2HG GLU 51 3HG GLU 51 9.204 -16.705 -1.862 398 H ILE 52 H ILE 52 4.952 -14.313 -0.959 399 HA ILE 52 HA ILE 52 3.842 -16.654 -2.461 400 HB ILE 52 HB ILE 52 2.078 -16.542 -0.619 401 1HG1 ILE 52 2HG1 ILE 52 4.252 -15.056 0.851 402 2HG1 ILE 52 3HG1 ILE 52 2.748 -14.318 0.283 403 1HG2 ILE 52 1HG2 ILE 52 3.462 -18.046 0.766 404 2HG2 ILE 52 2HG2 ILE 52 3.863 -18.294 -0.925 405 3HG2 ILE 52 3HG2 ILE 52 4.944 -17.331 0.098 406 1HD1 ILE 52 1HD1 ILE 52 1.449 -15.976 1.661 407 2HD1 ILE 52 2HD1 ILE 52 2.986 -16.581 2.328 408 3HD1 ILE 52 3HD1 ILE 52 2.488 -14.929 2.640 409 H ILE 53 H ILE 53 2.961 -13.361 -1.535 410 HA ILE 53 HA ILE 53 0.768 -13.455 -3.582 411 HB ILE 53 HB ILE 53 0.127 -12.698 -1.386 412 1HG1 ILE 53 2HG1 ILE 53 -0.135 -10.591 -3.570 413 2HG1 ILE 53 3HG1 ILE 53 -1.153 -11.996 -3.286 414 1HG2 ILE 53 1HG2 ILE 53 1.722 -10.153 -1.675 415 2HG2 ILE 53 2HG2 ILE 53 0.827 -10.767 -0.289 416 3HG2 ILE 53 3HG2 ILE 53 2.316 -11.565 -0.774 417 1HD1 ILE 53 1HD1 ILE 53 -2.197 -9.970 -2.420 418 2HD1 ILE 53 2HD1 ILE 53 -1.791 -11.060 -1.082 419 3HD1 ILE 53 3HD1 ILE 53 -0.787 -9.623 -1.405 420 H GLY 54 H GLY 54 1.799 -10.230 -3.561 421 1HA GLY 54 2HA GLY 54 4.365 -10.463 -4.574 422 2HA GLY 54 1HA GLY 54 3.266 -10.497 -5.969 423 HA PRO 55 HA PRO 55 4.024 -6.007 -4.481 424 1HB PRO 55 2HB PRO 55 5.791 -5.277 -6.495 425 2HB PRO 55 3HB PRO 55 6.281 -5.824 -4.877 426 1HG PRO 55 2HG PRO 55 6.134 -7.450 -7.415 427 2HG PRO 55 3HG PRO 55 7.424 -7.450 -6.179 428 1HD PRO 55 2HD PRO 55 5.499 -9.381 -6.260 429 2HD PRO 55 3HD PRO 55 6.091 -8.786 -4.694 430 H ARG 56 H ARG 56 3.814 -7.576 -7.700 431 HA ARG 56 HA ARG 56 2.540 -5.489 -9.141 432 1HB ARG 56 2HB ARG 56 2.646 -8.507 -9.359 433 2HB ARG 56 3HB ARG 56 1.396 -7.647 -10.251 434 1HG ARG 56 2HG ARG 56 3.298 -7.970 -11.675 435 2HG ARG 56 3HG ARG 56 2.994 -6.250 -11.395 436 1HD ARG 56 2HD ARG 56 4.839 -6.185 -9.743 437 2HD ARG 56 3HD ARG 56 5.125 -7.931 -10.003 438 HE ARG 56 HE ARG 56 5.203 -6.639 -12.513 439 1HH1 ARG 56 2HH2 ARG 56 7.065 -6.695 -9.533 440 2HH1 ARG 56 1HH2 ARG 56 8.586 -6.283 -10.264 441 1HH2 ARG 56 2HH1 ARG 56 7.199 -6.085 -13.546 442 2HH2 ARG 56 1HH1 ARG 56 8.654 -5.929 -12.618 443 H ASP 57 H ASP 57 1.050 -8.230 -7.337 444 HA ASP 57 HA ASP 57 -1.593 -7.718 -7.571 445 1HB ASP 57 2HB ASP 57 -0.271 -8.466 -4.920 446 2HB ASP 57 3HB ASP 57 -1.859 -8.936 -5.515 447 H ILE 58 H ILE 58 0.551 -6.396 -5.056 448 HA ILE 58 HA ILE 58 -1.336 -4.630 -3.823 449 HB ILE 58 HB ILE 58 1.698 -4.647 -3.936 450 1HG1 ILE 58 2HG1 ILE 58 -0.110 -5.321 -1.583 451 2HG1 ILE 58 3HG1 ILE 58 0.287 -6.546 -2.790 452 1HG2 ILE 58 1HG2 ILE 58 -0.141 -2.938 -2.206 453 2HG2 ILE 58 2HG2 ILE 58 1.614 -3.104 -1.986 454 3HG2 ILE 58 3HG2 ILE 58 0.989 -2.355 -3.449 455 1HD1 ILE 58 1HD1 ILE 58 2.660 -6.283 -2.413 456 2HD1 ILE 58 2HD1 ILE 58 2.381 -5.024 -1.198 457 3HD1 ILE 58 3HD1 ILE 58 1.810 -6.680 -0.903 458 H ILE 59 H ILE 59 1.246 -3.807 -6.202 459 HA ILE 59 HA ILE 59 0.509 -1.116 -6.459 460 HB ILE 59 HB ILE 59 2.055 -3.080 -8.083 461 1HG1 ILE 59 2HG1 ILE 59 3.684 -1.210 -8.135 462 2HG1 ILE 59 3HG1 ILE 59 2.538 -0.216 -7.235 463 1HG2 ILE 59 1HG2 ILE 59 2.348 -1.531 -9.994 464 2HG2 ILE 59 2HG2 ILE 59 0.722 -2.198 -9.927 465 3HG2 ILE 59 3HG2 ILE 59 1.018 -0.531 -9.380 466 1HD1 ILE 59 1HD1 ILE 59 4.249 -1.174 -5.767 467 2HD1 ILE 59 2HD1 ILE 59 2.673 -1.864 -5.338 468 3HD1 ILE 59 3HD1 ILE 59 3.836 -2.812 -6.295 469 H HIS 60 H HIS 60 -0.819 -3.906 -8.239 470 HA HIS 60 HA HIS 60 -2.578 -2.290 -9.831 471 1HB HIS 60 2HB HIS 60 -2.554 -5.266 -9.279 472 2HB HIS 60 3HB HIS 60 -3.605 -4.459 -10.456 473 HD1 HIS 60 1HD HIS 60 -1.639 -2.500 -11.898 474 HD2 HIS 60 2HD HIS 60 -0.721 -6.458 -10.745 475 HE1 HIS 60 1HE HIS 60 0.349 -3.243 -13.311 476 H THR 61 H THR 61 -2.937 -3.875 -6.658 477 HA THR 61 HA THR 61 -5.780 -3.426 -6.448 478 HB THR 61 HB THR 61 -3.672 -3.510 -4.243 479 HG1 THR 61 1HG THR 61 -3.838 -5.410 -5.508 480 1HG2 THR 61 1HG2 THR 61 -5.762 -2.480 -3.429 481 2HG2 THR 61 2HG2 THR 61 -6.702 -3.814 -4.138 482 3HG2 THR 61 3HG2 THR 61 -5.577 -4.125 -2.798 483 H ILE 62 H ILE 62 -2.933 -1.474 -5.406 484 HA ILE 62 HA ILE 62 -4.419 0.767 -4.498 485 HB ILE 62 HB ILE 62 -1.572 0.567 -5.564 486 1HG1 ILE 62 2HG1 ILE 62 -1.742 -0.979 -3.705 487 2HG1 ILE 62 3HG1 ILE 62 -0.999 0.483 -3.086 488 1HG2 ILE 62 1HG2 ILE 62 -1.110 2.552 -4.233 489 2HG2 ILE 62 2HG2 ILE 62 -2.301 2.898 -5.476 490 3HG2 ILE 62 3HG2 ILE 62 -2.823 2.694 -3.788 491 1HD1 ILE 62 1HD1 ILE 62 -2.581 -0.350 -1.528 492 2HD1 ILE 62 2HD1 ILE 62 -3.301 1.125 -2.211 493 3HD1 ILE 62 3HD1 ILE 62 -3.856 -0.492 -2.733 494 H GLU 63 H GLU 63 -3.008 0.135 -7.733 495 HA GLU 63 HA GLU 63 -3.804 2.407 -9.124 496 1HB GLU 63 2HB GLU 63 -2.385 0.469 -9.859 497 2HB GLU 63 3HB GLU 63 -3.849 -0.517 -9.964 498 1HG GLU 63 2HG GLU 63 -4.741 1.007 -11.654 499 2HG GLU 63 3HG GLU 63 -3.202 1.897 -11.660 500 H SER 64 H SER 64 -5.619 -0.669 -8.659 501 HA SER 64 HA SER 64 -8.055 0.186 -9.794 502 1HB SER 64 2HB SER 64 -7.702 -1.882 -7.593 503 2HB SER 64 3HB SER 64 -9.095 -1.682 -8.669 504 HG SER 64 HG SER 64 -6.439 -2.354 -9.432 505 H LEU 65 H LEU 65 -6.899 0.603 -6.424 506 HA LEU 65 HA LEU 65 -9.396 1.671 -5.431 507 1HB LEU 65 2HB LEU 65 -6.554 2.206 -4.480 508 2HB LEU 65 3HB LEU 65 -8.026 2.673 -3.637 509 HG LEU 65 HG LEU 65 -7.082 -0.175 -4.117 510 1HD1 LEU 65 1HD1 LEU 65 -6.790 -0.216 -1.723 511 2HD1 LEU 65 2HD1 LEU 65 -5.882 1.150 -2.386 512 3HD1 LEU 65 3HD1 LEU 65 -7.429 1.435 -1.563 513 1HD2 LEU 65 1HD2 LEU 65 -9.032 -0.734 -2.592 514 2HD2 LEU 65 2HD2 LEU 65 -9.643 0.909 -2.927 515 3HD2 LEU 65 3HD2 LEU 65 -9.469 -0.273 -4.243 516 H GLY 66 H GLY 66 -7.078 3.014 -7.633 517 1HA GLY 66 2HA GLY 66 -7.288 4.986 -8.787 518 2HA GLY 66 1HA GLY 66 -8.551 5.555 -7.687 519 H PHE 67 H PHE 67 -5.303 4.275 -6.816 520 HA PHE 67 HA PHE 67 -4.336 7.045 -6.350 521 1HB PHE 67 2HB PHE 67 -3.582 4.698 -4.607 522 2HB PHE 67 3HB PHE 67 -3.150 6.390 -4.381 523 HD1 PHE 67 1HD PHE 67 -5.455 7.962 -4.354 524 HD2 PHE 67 2HD PHE 67 -5.197 3.837 -3.148 525 HE1 PHE 67 1HE PHE 67 -7.452 8.257 -2.937 526 HE2 PHE 67 2HE PHE 67 -7.179 4.142 -1.695 527 HZ PHE 67 HZ PHE 67 -8.305 6.334 -1.572 528 H GLU 68 H GLU 68 -2.101 7.228 -6.833 529 HA GLU 68 HA GLU 68 -1.318 5.319 -8.907 530 1HB GLU 68 2HB GLU 68 -1.771 7.596 -9.612 531 2HB GLU 68 3HB GLU 68 -0.703 8.247 -8.363 532 1HG GLU 68 2HG GLU 68 0.360 8.415 -10.527 533 2HG GLU 68 3HG GLU 68 1.265 7.257 -9.549 534 HA PRO 69 HA PRO 69 1.675 4.390 -5.748 535 1HB PRO 69 2HB PRO 69 2.508 1.910 -6.449 536 2HB PRO 69 3HB PRO 69 0.932 2.261 -5.685 537 1HG PRO 69 2HG PRO 69 1.475 1.837 -8.617 538 2HG PRO 69 3HG PRO 69 0.169 1.138 -7.605 539 1HD PRO 69 2HD PRO 69 -0.183 3.368 -9.190 540 2HD PRO 69 3HD PRO 69 -1.025 3.152 -7.630 541 H SER 70 H SER 70 3.945 4.312 -5.492 542 HA SER 70 HA SER 70 5.681 3.671 -7.778 543 1HB SER 70 2HB SER 70 6.014 6.211 -6.137 544 2HB SER 70 3HB SER 70 7.105 5.598 -7.422 545 HG SER 70 HG SER 70 4.600 5.905 -8.364 546 H LEU 71 H LEU 71 7.370 2.416 -6.882 547 HA LEU 71 HA LEU 71 7.433 1.730 -4.161 548 1HB LEU 71 2HB LEU 71 9.562 0.686 -4.618 549 2HB LEU 71 3HB LEU 71 8.433 0.420 -5.940 550 HG LEU 71 HG LEU 71 9.694 2.667 -6.871 551 1HD1 LEU 71 1HD1 LEU 71 11.302 2.795 -4.984 552 2HD1 LEU 71 2HD1 LEU 71 11.827 1.133 -5.317 553 3HD1 LEU 71 3HD1 LEU 71 12.122 2.421 -6.500 554 1HD2 LEU 71 1HD2 LEU 71 11.040 1.146 -8.275 555 2HD2 LEU 71 2HD2 LEU 71 10.680 -0.200 -7.172 556 3HD2 LEU 71 3HD2 LEU 71 9.377 0.564 -8.111 557 H VAL 72 H VAL 72 8.665 2.329 -2.473 558 HA VAL 72 HA VAL 72 9.462 3.995 -1.021 559 HB VAL 72 HB VAL 72 11.804 3.058 -2.673 560 1HG1 VAL 72 1HG1 VAL 72 12.405 4.663 -0.858 561 2HG1 VAL 72 2HG1 VAL 72 11.529 3.659 0.316 562 3HG1 VAL 72 3HG1 VAL 72 12.990 3.041 -0.478 563 1HG2 VAL 72 1HG2 VAL 72 10.307 1.529 -0.510 564 2HG2 VAL 72 2HG2 VAL 72 10.430 1.086 -2.226 565 3HG2 VAL 72 3HG2 VAL 72 11.864 1.058 -1.205 566 H LYS 73 H LYS 73 8.796 6.117 -1.414 567 HA LYS 73 HA LYS 73 10.792 7.876 -2.553 568 1HB LYS 73 2HB LYS 73 7.995 7.504 -3.588 569 2HB LYS 73 3HB LYS 73 8.584 9.169 -3.500 570 1HG LYS 73 2HG LYS 73 10.287 8.808 -5.073 571 2HG LYS 73 3HG LYS 73 10.296 7.062 -4.813 572 1HD LYS 73 2HD LYS 73 9.352 7.579 -6.976 573 2HD LYS 73 3HD LYS 73 8.240 6.734 -5.891 574 1HE LYS 73 2HE LYS 73 6.964 8.805 -5.487 575 2HE LYS 73 3HE LYS 73 8.187 9.757 -6.340 576 1HZ LYS 73 1HZ LYS 73 6.338 7.803 -7.625 577 2HZ LYS 73 2HZ LYS 73 6.304 9.427 -7.723 578 3HZ LYS 73 3HZ LYS 73 7.556 8.603 -8.378 579 H ILE 74 H ILE 74 10.001 10.205 -2.037 580 HA ILE 74 HA ILE 74 9.365 10.321 0.850 581 HB ILE 74 HB ILE 74 10.185 12.603 0.724 582 1HG1 ILE 74 2HG1 ILE 74 10.763 12.127 -2.239 583 2HG1 ILE 74 3HG1 ILE 74 9.428 13.111 -1.623 584 1HG2 ILE 74 1HG2 ILE 74 11.725 10.662 1.064 585 2HG2 ILE 74 2HG2 ILE 74 12.148 10.738 -0.658 586 3HG2 ILE 74 3HG2 ILE 74 12.513 12.101 0.418 587 1HD1 ILE 74 1HD1 ILE 74 11.073 14.577 -0.449 588 2HD1 ILE 74 2HD1 ILE 74 12.392 13.665 -1.226 589 3HD1 ILE 74 3HD1 ILE 74 11.238 14.570 -2.216 590 H GLU 75 H GLU 75 8.198 12.800 1.055 591 HA GLU 75 HA GLU 75 5.573 11.999 0.870 592 1HB GLU 75 2HB GLU 75 6.496 14.869 1.227 593 2HB GLU 75 3HB GLU 75 5.028 14.103 1.826 594 1HG GLU 75 2HG GLU 75 6.919 12.453 2.957 595 2HG GLU 75 3HG GLU 75 7.830 13.964 2.890 Start of MODEL 29 1 1H MET 1 H1 MET 1 10.541 -15.749 2.815 2 2H MET 1 H2 MET 1 11.923 -15.994 2.154 3 3H MET 1 H3 MET 1 11.666 -16.559 3.725 4 HA MET 1 HA MET 1 12.816 -14.599 4.208 5 1HB MET 1 2HB MET 1 11.330 -13.377 1.847 6 2HB MET 1 3HB MET 1 12.369 -12.487 2.960 7 1HG MET 1 2HG MET 1 14.298 -13.867 2.351 8 2HG MET 1 3HG MET 1 13.323 -14.795 1.207 9 1HE MET 1 1HE MET 1 12.328 -13.872 -1.013 10 2HE MET 1 2HE MET 1 11.545 -12.478 -0.224 11 3HE MET 1 3HE MET 1 12.607 -12.222 -1.621 12 H GLY 2 H GLY 2 9.418 -14.198 3.017 13 1HA GLY 2 2HA GLY 2 7.519 -13.812 4.133 14 2HA GLY 2 1HA GLY 2 8.324 -14.261 5.640 15 H ASP 3 H ASP 3 9.182 -11.564 3.486 16 HA ASP 3 HA ASP 3 7.311 -9.761 4.208 17 1HB ASP 3 2HB ASP 3 8.474 -9.557 6.413 18 2HB ASP 3 3HB ASP 3 9.892 -8.941 5.558 19 H GLY 4 H GLY 4 7.881 -7.676 3.134 20 1HA GLY 4 2HA GLY 4 10.347 -7.572 1.459 21 2HA GLY 4 1HA GLY 4 8.793 -7.364 0.654 22 H VAL 5 H VAL 5 8.240 -5.866 3.623 23 HA VAL 5 HA VAL 5 7.604 -3.697 3.790 24 HB VAL 5 HB VAL 5 10.603 -3.267 3.911 25 1HG1 VAL 5 1HG1 VAL 5 8.245 -2.074 5.460 26 2HG1 VAL 5 2HG1 VAL 5 9.962 -1.708 5.728 27 3HG1 VAL 5 3HG1 VAL 5 9.186 -1.224 4.217 28 1HG2 VAL 5 1HG2 VAL 5 10.304 -3.983 6.323 29 2HG2 VAL 5 2HG2 VAL 5 8.679 -4.546 5.880 30 3HG2 VAL 5 3HG2 VAL 5 10.115 -5.313 5.165 31 H LEU 6 H LEU 6 6.695 -3.441 1.621 32 HA LEU 6 HA LEU 6 8.355 -1.920 -0.316 33 1HB LEU 6 2HB LEU 6 6.805 -3.838 -0.955 34 2HB LEU 6 3HB LEU 6 5.453 -2.766 -0.615 35 HG LEU 6 HG LEU 6 5.860 -2.843 -2.951 36 1HD1 LEU 6 1HD1 LEU 6 5.422 -0.545 -2.018 37 2HD1 LEU 6 2HD1 LEU 6 7.175 -0.237 -2.135 38 3HD1 LEU 6 3HD1 LEU 6 6.240 -0.580 -3.596 39 1HD2 LEU 6 1HD2 LEU 6 8.186 -3.718 -2.872 40 2HD2 LEU 6 2HD2 LEU 6 7.966 -2.423 -4.059 41 3HD2 LEU 6 3HD2 LEU 6 8.779 -2.080 -2.524 42 H GLU 7 H GLU 7 8.602 0.170 0.454 43 HA GLU 7 HA GLU 7 6.233 1.756 1.288 44 1HB GLU 7 2HB GLU 7 9.147 2.487 0.837 45 2HB GLU 7 3HB GLU 7 7.844 3.619 1.188 46 1HG GLU 7 2HG GLU 7 7.468 2.148 3.318 47 2HG GLU 7 3HG GLU 7 9.091 1.527 2.957 48 H LEU 8 H LEU 8 4.921 2.367 -0.339 49 HA LEU 8 HA LEU 8 6.242 3.472 -2.751 50 1HB LEU 8 2HB LEU 8 4.289 2.913 -4.128 51 2HB LEU 8 3HB LEU 8 5.065 1.491 -3.480 52 HG LEU 8 HG LEU 8 3.215 1.563 -1.619 53 1HD1 LEU 8 1HD1 LEU 8 2.039 3.362 -3.796 54 2HD1 LEU 8 2HD1 LEU 8 1.068 2.533 -2.568 55 3HD1 LEU 8 3HD1 LEU 8 2.240 3.757 -2.083 56 1HD2 LEU 8 1HD2 LEU 8 2.548 0.908 -4.511 57 2HD2 LEU 8 2HD2 LEU 8 3.393 -0.162 -3.375 58 3HD2 LEU 8 3HD2 LEU 8 1.708 0.281 -3.079 59 H VAL 9 H VAL 9 4.969 5.338 -3.621 60 HA VAL 9 HA VAL 9 3.486 6.786 -1.475 61 HB VAL 9 HB VAL 9 5.546 7.791 -3.430 62 1HG1 VAL 9 1HG1 VAL 9 4.907 10.110 -2.823 63 2HG1 VAL 9 2HG1 VAL 9 3.644 9.309 -3.759 64 3HG1 VAL 9 3HG1 VAL 9 3.464 9.499 -1.998 65 1HG2 VAL 9 1HG2 VAL 9 6.441 8.878 -1.391 66 2HG2 VAL 9 2HG2 VAL 9 5.052 8.287 -0.456 67 3HG2 VAL 9 3HG2 VAL 9 6.243 7.137 -1.111 68 H VAL 10 H VAL 10 1.684 7.875 -2.139 69 HA VAL 10 HA VAL 10 0.594 7.035 -4.772 70 HB VAL 10 HB VAL 10 -1.539 7.264 -2.855 71 1HG1 VAL 10 1HG1 VAL 10 -0.350 4.777 -4.132 72 2HG1 VAL 10 2HG1 VAL 10 -2.000 4.998 -3.538 73 3HG1 VAL 10 3HG1 VAL 10 -1.447 5.897 -4.966 74 1HG2 VAL 10 1HG2 VAL 10 0.567 5.253 -1.997 75 2HG2 VAL 10 2HG2 VAL 10 0.042 6.657 -1.039 76 3HG2 VAL 10 3HG2 VAL 10 -1.093 5.349 -1.410 77 H ARG 11 H ARG 11 -1.676 8.376 -4.832 78 HA ARG 11 HA ARG 11 -1.378 11.142 -3.914 79 1HB ARG 11 2HB ARG 11 -1.996 10.312 -6.775 80 2HB ARG 11 3HB ARG 11 -2.281 11.926 -6.140 81 1HG ARG 11 2HG ARG 11 0.021 12.416 -5.905 82 2HG ARG 11 3HG ARG 11 0.516 10.719 -6.100 83 1HD ARG 11 2HD ARG 11 -0.146 10.632 -8.357 84 2HD ARG 11 3HD ARG 11 -0.981 12.201 -8.294 85 HE ARG 11 HE ARG 11 1.717 12.660 -7.657 86 1HH1 ARG 11 2HH2 ARG 11 -0.154 11.352 -10.410 87 2HH1 ARG 11 1HH2 ARG 11 0.906 11.984 -11.617 88 1HH2 ARG 11 2HH1 ARG 11 3.172 13.459 -9.282 89 2HH2 ARG 11 1HH1 ARG 11 2.855 13.171 -10.964 90 H GLY 12 H GLY 12 -3.638 12.092 -3.995 91 1HA GLY 12 2HA GLY 12 -5.930 12.005 -4.085 92 2HA GLY 12 1HA GLY 12 -5.859 10.345 -4.679 93 H MET 13 H MET 13 -4.023 10.427 -1.838 94 HA MET 13 HA MET 13 -6.162 9.229 -0.231 95 1HB MET 13 2HB MET 13 -3.251 9.867 0.282 96 2HB MET 13 3HB MET 13 -4.354 9.283 1.539 97 1HG MET 13 2HG MET 13 -4.757 7.250 0.477 98 2HG MET 13 3HG MET 13 -3.968 7.735 -1.027 99 1HE MET 13 1HE MET 13 -2.210 8.732 2.350 100 2HE MET 13 2HE MET 13 -3.171 7.322 2.878 101 3HE MET 13 3HE MET 13 -1.393 7.228 2.786 102 H THR 14 H THR 14 -7.515 11.146 -0.552 103 HA THR 14 HA THR 14 -6.624 13.673 0.562 104 HB THR 14 HB THR 14 -7.856 13.496 -1.546 105 HG1 THR 14 1HG THR 14 -8.941 14.988 0.580 106 1HG2 THR 14 1HG2 THR 14 -10.290 13.172 -1.556 107 2HG2 THR 14 2HG2 THR 14 -9.473 11.698 -1.026 108 3HG2 THR 14 3HG2 THR 14 -10.276 12.749 0.163 109 H CYS 15 H CYS 15 -7.844 11.082 2.327 110 HA CYS 15 HA CYS 15 -8.757 12.796 4.478 111 1HB CYS 15 2HB CYS 15 -10.768 12.749 2.860 112 2HB CYS 15 3HB CYS 15 -10.834 10.997 3.138 113 HG CYS 15 HG CYS 15 -11.077 13.533 5.232 114 H ALA 16 H ALA 16 -9.339 11.493 6.392 115 HA ALA 16 HA ALA 16 -7.795 9.234 7.011 116 1HB ALA 16 1HB ALA 16 -10.496 10.092 8.124 117 2HB ALA 16 2HB ALA 16 -9.366 8.951 8.885 118 3HB ALA 16 3HB ALA 16 -8.901 10.652 8.680 119 H SER 17 H SER 17 -11.125 9.456 5.631 120 HA SER 17 HA SER 17 -11.915 6.866 5.490 121 1HB SER 17 2HB SER 17 -12.050 8.714 3.083 122 2HB SER 17 3HB SER 17 -13.279 7.597 3.711 123 HG SER 17 HG SER 17 -13.697 9.812 4.284 124 H CYS 18 H CYS 18 -9.517 8.473 3.295 125 HA CYS 18 HA CYS 18 -9.254 6.251 1.503 126 1HB CYS 18 2HB CYS 18 -7.257 8.479 2.110 127 2HB CYS 18 3HB CYS 18 -7.246 7.388 0.719 128 HG CYS 18 HG CYS 18 -9.522 8.101 -0.272 129 H VAL 19 H VAL 19 -7.445 7.309 4.399 130 HA VAL 19 HA VAL 19 -5.397 5.435 4.414 131 HB VAL 19 HB VAL 19 -6.900 6.437 6.880 132 1HG1 VAL 19 1HG1 VAL 19 -4.015 5.594 6.635 133 2HG1 VAL 19 2HG1 VAL 19 -4.874 6.127 8.083 134 3HG1 VAL 19 3HG1 VAL 19 -5.310 4.591 7.321 135 1HG2 VAL 19 1HG2 VAL 19 -6.294 8.350 5.516 136 2HG2 VAL 19 2HG2 VAL 19 -5.210 8.244 6.907 137 3HG2 VAL 19 3HG2 VAL 19 -4.648 7.713 5.299 138 H HIS 20 H HIS 20 -8.638 5.185 6.030 139 HA HIS 20 HA HIS 20 -8.163 2.494 6.791 140 1HB HIS 20 2HB HIS 20 -9.780 2.978 8.142 141 2HB HIS 20 3HB HIS 20 -10.061 4.510 7.339 142 HD1 HIS 20 1HD HIS 20 -12.184 2.297 8.671 143 HD2 HIS 20 2HD HIS 20 -11.609 3.647 4.744 144 HE1 HIS 20 1HE HIS 20 -14.432 2.153 7.507 145 H LYS 21 H LYS 21 -9.564 3.933 3.868 146 HA LYS 21 HA LYS 21 -10.817 1.671 2.787 147 1HB LYS 21 2HB LYS 21 -10.713 4.138 1.975 148 2HB LYS 21 3HB LYS 21 -9.281 3.704 1.088 149 1HG LYS 21 2HG LYS 21 -11.857 2.130 0.761 150 2HG LYS 21 3HG LYS 21 -11.643 3.703 -0.020 151 1HD LYS 21 2HD LYS 21 -9.551 2.926 -1.100 152 2HD LYS 21 3HD LYS 21 -9.813 1.298 -0.469 153 1HE LYS 21 2HE LYS 21 -11.713 2.848 -2.320 154 2HE LYS 21 3HE LYS 21 -10.550 1.644 -2.857 155 1HZ LYS 21 1HZ LYS 21 -12.816 1.111 -1.059 156 2HZ LYS 21 2HZ LYS 21 -12.697 0.686 -2.644 157 3HZ LYS 21 3HZ LYS 21 -11.696 0.000 -1.535 158 H ILE 22 H ILE 22 -7.474 2.803 2.666 159 HA ILE 22 HA ILE 22 -6.606 0.720 0.821 160 HB ILE 22 HB ILE 22 -4.975 2.639 2.568 161 1HG1 ILE 22 2HG1 ILE 22 -5.414 2.694 -0.418 162 2HG1 ILE 22 3HG1 ILE 22 -6.477 3.579 0.695 163 1HG2 ILE 22 1HG2 ILE 22 -4.370 0.573 0.447 164 2HG2 ILE 22 2HG2 ILE 22 -3.265 1.921 0.673 165 3HG2 ILE 22 3HG2 ILE 22 -3.570 0.824 2.031 166 1HD1 ILE 22 1HD1 ILE 22 -4.765 5.033 -0.264 167 2HD1 ILE 22 2HD1 ILE 22 -4.661 4.937 1.505 168 3HD1 ILE 22 3HD1 ILE 22 -3.485 4.077 0.487 169 H GLU 23 H GLU 23 -5.989 1.540 4.234 170 HA GLU 23 HA GLU 23 -4.623 -0.576 5.193 171 1HB GLU 23 2HB GLU 23 -5.522 1.504 6.390 172 2HB GLU 23 3HB GLU 23 -7.020 0.618 6.654 173 1HG GLU 23 2HG GLU 23 -4.319 -0.456 7.503 174 2HG GLU 23 3HG GLU 23 -5.321 0.591 8.525 175 H SER 24 H SER 24 -8.185 -0.452 5.229 176 HA SER 24 HA SER 24 -8.531 -3.084 6.233 177 1HB SER 24 2HB SER 24 -10.873 -2.870 5.537 178 2HB SER 24 3HB SER 24 -10.290 -1.422 6.379 179 HG SER 24 HG SER 24 -10.125 -0.375 4.412 180 H SER 25 H SER 25 -8.370 -1.827 2.931 181 HA SER 25 HA SER 25 -9.090 -4.285 1.633 182 1HB SER 25 2HB SER 25 -9.361 -1.957 0.775 183 2HB SER 25 3HB SER 25 -7.626 -1.898 0.463 184 HG SER 25 HG SER 25 -8.025 -3.963 -0.728 185 H LEU 26 H LEU 26 -6.082 -3.052 2.928 186 HA LEU 26 HA LEU 26 -4.486 -5.140 1.536 187 1HB LEU 26 2HB LEU 26 -3.810 -3.174 3.729 188 2HB LEU 26 3HB LEU 26 -2.788 -4.544 3.362 189 HG LEU 26 HG LEU 26 -1.862 -2.752 2.296 190 1HD1 LEU 26 1HD1 LEU 26 -1.742 -3.290 -0.047 191 2HD1 LEU 26 2HD1 LEU 26 -1.767 -4.759 0.928 192 3HD1 LEU 26 3HD1 LEU 26 -3.228 -4.241 0.035 193 1HD2 LEU 26 1HD2 LEU 26 -3.876 -1.342 2.277 194 2HD2 LEU 26 2HD2 LEU 26 -2.955 -1.246 0.780 195 3HD2 LEU 26 3HD2 LEU 26 -4.465 -2.194 0.823 196 H THR 27 H THR 27 -5.549 -4.518 4.963 197 HA THR 27 HA THR 27 -4.492 -6.981 5.933 198 HB THR 27 HB THR 27 -6.325 -6.508 7.722 199 HG1 THR 27 1HG THR 27 -6.323 -3.886 7.233 200 1HG2 THR 27 1HG2 THR 27 -4.813 -4.779 8.719 201 2HG2 THR 27 2HG2 THR 27 -3.859 -6.073 7.979 202 3HG2 THR 27 3HG2 THR 27 -4.052 -4.519 7.139 203 H LYS 28 H LYS 28 -7.576 -6.189 4.465 204 HA LYS 28 HA LYS 28 -9.032 -8.486 4.399 205 1HB LYS 28 2HB LYS 28 -9.773 -6.648 3.168 206 2HB LYS 28 3HB LYS 28 -8.204 -6.445 2.388 207 1HG LYS 28 2HG LYS 28 -9.758 -7.054 0.768 208 2HG LYS 28 3HG LYS 28 -8.561 -8.328 0.944 209 1HD LYS 28 2HD LYS 28 -10.226 -9.577 2.443 210 2HD LYS 28 3HD LYS 28 -11.399 -8.286 2.123 211 1HE LYS 28 2HE LYS 28 -11.331 -8.822 -0.306 212 2HE LYS 28 3HE LYS 28 -10.102 -10.065 -0.007 213 1HZ LYS 28 1HZ LYS 28 -11.704 -11.256 1.317 214 2HZ LYS 28 2HZ LYS 28 -12.855 -10.111 1.042 215 3HZ LYS 28 3HZ LYS 28 -12.281 -11.016 -0.204 216 H HIS 29 H HIS 29 -5.941 -8.068 2.451 217 HA HIS 29 HA HIS 29 -6.619 -10.674 1.226 218 1HB HIS 29 2HB HIS 29 -5.082 -10.203 -0.467 219 2HB HIS 29 3HB HIS 29 -6.089 -8.780 -0.203 220 HD1 HIS 29 1HD HIS 29 -2.507 -9.963 0.783 221 HD2 HIS 29 2HD HIS 29 -4.780 -6.599 -0.351 222 HE1 HIS 29 1HE HIS 29 -0.854 -8.078 0.328 223 H ARG 30 H ARG 30 -5.242 -12.425 1.078 224 HA ARG 30 HA ARG 30 -3.787 -13.107 3.408 225 1HB ARG 30 2HB ARG 30 -3.113 -15.087 2.226 226 2HB ARG 30 3HB ARG 30 -4.801 -14.748 1.818 227 1HG ARG 30 2HG ARG 30 -4.055 -13.749 -0.358 228 2HG ARG 30 3HG ARG 30 -2.368 -14.071 0.083 229 1HD ARG 30 2HD ARG 30 -2.919 -16.503 0.273 230 2HD ARG 30 3HD ARG 30 -4.521 -16.142 -0.425 231 HE ARG 30 HE ARG 30 -2.587 -14.970 -2.110 232 1HH1 ARG 30 2HH2 ARG 30 -3.543 -18.203 -1.108 233 2HH1 ARG 30 1HH2 ARG 30 -2.870 -19.018 -2.487 234 1HH2 ARG 30 2HH1 ARG 30 -1.613 -16.008 -3.939 235 2HH2 ARG 30 1HH1 ARG 30 -1.774 -17.716 -4.157 236 H GLY 31 H GLY 31 -1.501 -13.450 3.691 237 1HA GLY 31 2HA GLY 31 0.713 -13.051 3.481 238 2HA GLY 31 1HA GLY 31 0.450 -12.953 1.732 239 H ILE 32 H ILE 32 -1.197 -10.619 3.875 240 HA ILE 32 HA ILE 32 0.932 -8.647 3.464 241 HB ILE 32 HB ILE 32 -1.651 -8.266 2.870 242 1HG1 ILE 32 2HG1 ILE 32 0.381 -6.656 2.753 243 2HG1 ILE 32 3HG1 ILE 32 -1.249 -6.011 2.804 244 1HG2 ILE 32 1HG2 ILE 32 -2.615 -8.716 5.007 245 2HG2 ILE 32 2HG2 ILE 32 -1.494 -7.599 5.824 246 3HG2 ILE 32 3HG2 ILE 32 -2.681 -6.955 4.687 247 1HD1 ILE 32 1HD1 ILE 32 -1.076 -5.406 5.111 248 2HD1 ILE 32 2HD1 ILE 32 0.315 -6.471 5.326 249 3HD1 ILE 32 3HD1 ILE 32 0.493 -4.951 4.433 250 H LEU 33 H LEU 33 1.958 -8.089 5.384 251 HA LEU 33 HA LEU 33 1.395 -9.756 7.797 252 1HB LEU 33 2HB LEU 33 3.789 -8.072 6.994 253 2HB LEU 33 3HB LEU 33 3.683 -9.058 8.455 254 HG LEU 33 HG LEU 33 3.400 -10.229 5.645 255 1HD1 LEU 33 1HD1 LEU 33 5.700 -10.843 5.719 256 2HD1 LEU 33 2HD1 LEU 33 5.579 -9.084 5.868 257 3HD1 LEU 33 3HD1 LEU 33 5.930 -10.070 7.308 258 1HD2 LEU 33 1HD2 LEU 33 2.537 -11.687 7.430 259 2HD2 LEU 33 2HD2 LEU 33 4.059 -12.329 6.807 260 3HD2 LEU 33 3HD2 LEU 33 4.040 -11.473 8.359 261 H TYR 34 H TYR 34 1.966 -6.372 6.694 262 HA TYR 34 HA TYR 34 0.128 -5.371 8.694 263 1HB TYR 34 2HB TYR 34 2.157 -5.635 10.095 264 2HB TYR 34 3HB TYR 34 3.098 -4.756 8.909 265 HD1 TYR 34 HD1 TYR 34 -0.083 -4.251 10.878 266 HD2 TYR 34 HD2 TYR 34 3.540 -2.502 9.331 267 HE1 TYR 34 HE1 TYR 34 -0.726 -2.060 11.836 268 HE2 TYR 34 HE2 TYR 34 2.969 -0.356 10.419 269 HH TYR 34 HH TYR 34 -0.172 0.177 12.019 270 H CYS 35 H CYS 35 -0.743 -3.464 7.949 271 HA CYS 35 HA CYS 35 0.507 -2.171 5.549 272 1HB CYS 35 2HB CYS 35 -1.695 -3.160 5.064 273 2HB CYS 35 3HB CYS 35 -2.417 -2.286 6.431 274 HG CYS 35 HG CYS 35 -2.993 -1.366 4.096 275 H SER 36 H SER 36 0.862 0.039 5.697 276 HA SER 36 HA SER 36 -0.636 1.586 7.666 277 1HB SER 36 2HB SER 36 1.237 0.802 9.046 278 2HB SER 36 3HB SER 36 2.391 1.502 7.891 279 HG SER 36 HG SER 36 1.737 2.802 9.815 280 H VAL 37 H VAL 37 -1.455 3.007 6.192 281 HA VAL 37 HA VAL 37 0.467 4.390 4.435 282 HB VAL 37 HB VAL 37 -1.369 4.885 3.002 283 1HG1 VAL 37 1HG1 VAL 37 -2.042 2.812 2.256 284 2HG1 VAL 37 2HG1 VAL 37 -0.582 2.356 3.156 285 3HG1 VAL 37 3HG1 VAL 37 -2.178 2.106 3.875 286 1HG2 VAL 37 1HG2 VAL 37 -3.093 5.470 4.622 287 2HG2 VAL 37 2HG2 VAL 37 -3.694 4.205 3.539 288 3HG2 VAL 37 3HG2 VAL 37 -3.197 3.766 5.180 289 H ALA 38 H ALA 38 0.531 6.636 4.360 290 HA ALA 38 HA ALA 38 -0.580 8.045 6.759 291 1HB ALA 38 1HB ALA 38 1.722 7.459 7.285 292 2HB ALA 38 2HB ALA 38 2.258 8.137 5.724 293 3HB ALA 38 3HB ALA 38 1.549 9.208 6.959 294 H LEU 39 H LEU 39 -1.330 9.958 6.396 295 HA LEU 39 HA LEU 39 -1.825 10.862 3.704 296 1HB LEU 39 2HB LEU 39 -2.373 12.103 6.433 297 2HB LEU 39 3HB LEU 39 -2.974 12.773 4.913 298 HG LEU 39 HG LEU 39 -3.619 9.930 5.808 299 1HD1 LEU 39 1HD1 LEU 39 -4.446 11.498 7.505 300 2HD1 LEU 39 2HD1 LEU 39 -5.209 12.487 6.237 301 3HD1 LEU 39 3HD1 LEU 39 -5.791 10.837 6.554 302 1HD2 LEU 39 1HD2 LEU 39 -5.499 10.191 4.211 303 2HD2 LEU 39 2HD2 LEU 39 -4.968 11.841 3.842 304 3HD2 LEU 39 3HD2 LEU 39 -3.958 10.454 3.388 305 H ALA 40 H ALA 40 0.187 12.164 6.397 306 HA ALA 40 HA ALA 40 0.671 14.670 5.224 307 1HB ALA 40 1HB ALA 40 2.417 13.078 7.155 308 2HB ALA 40 2HB ALA 40 2.523 14.824 6.846 309 3HB ALA 40 3HB ALA 40 1.066 14.148 7.601 310 H THR 41 H THR 41 2.218 11.571 4.728 311 HA THR 41 HA THR 41 4.220 12.771 2.851 312 HB THR 41 HB THR 41 5.178 11.662 4.748 313 HG1 THR 41 1HG THR 41 5.346 10.421 2.230 314 1HG2 THR 41 1HG2 THR 41 4.888 9.168 5.045 315 2HG2 THR 41 2HG2 THR 41 3.549 10.188 5.577 316 3HG2 THR 41 3HG2 THR 41 3.429 9.306 4.040 317 H ASN 42 H ASN 42 1.177 11.502 2.738 318 HA ASN 42 HA ASN 42 -0.021 10.120 1.517 319 1HB ASN 42 2HB ASN 42 0.518 12.207 0.081 320 2HB ASN 42 3HB ASN 42 1.481 11.112 -0.918 321 1HD2 ASN 42 1HD2 ASN 42 -0.238 8.782 -0.647 322 2HD2 ASN 42 2HD2 ASN 42 -1.778 9.125 -1.396 323 H LYS 43 H LYS 43 1.844 8.620 2.698 324 HA LYS 43 HA LYS 43 3.228 6.984 0.612 325 1HB LYS 43 2HB LYS 43 4.608 8.015 2.452 326 2HB LYS 43 3HB LYS 43 3.764 6.934 3.588 327 1HG LYS 43 2HG LYS 43 4.548 4.989 2.147 328 2HG LYS 43 3HG LYS 43 5.465 6.134 1.172 329 1HD LYS 43 2HD LYS 43 5.834 5.565 4.157 330 2HD LYS 43 3HD LYS 43 6.735 4.846 2.829 331 1HE LYS 43 2HE LYS 43 7.403 7.297 2.185 332 2HE LYS 43 3HE LYS 43 6.820 7.716 3.805 333 1HZ LYS 43 1HZ LYS 43 8.405 5.765 4.479 334 2HZ LYS 43 2HZ LYS 43 9.064 5.928 3.067 335 3HZ LYS 43 3HZ LYS 43 9.103 7.234 4.079 336 H ALA 44 H ALA 44 2.922 4.719 0.584 337 HA ALA 44 HA ALA 44 1.180 3.546 2.674 338 1HB ALA 44 1HB ALA 44 0.386 1.877 1.053 339 2HB ALA 44 2HB ALA 44 -0.128 3.511 0.580 340 3HB ALA 44 3HB ALA 44 1.236 2.723 -0.243 341 H HIS 45 H HIS 45 2.558 2.414 3.979 342 HA HIS 45 HA HIS 45 4.720 0.921 2.604 343 1HB HIS 45 2HB HIS 45 5.991 0.810 4.355 344 2HB HIS 45 3HB HIS 45 5.268 2.377 4.690 345 HD1 HIS 45 1HD HIS 45 5.295 2.399 7.255 346 HD2 HIS 45 2HD HIS 45 4.450 -1.379 5.630 347 HE1 HIS 45 1HE HIS 45 5.226 0.747 9.199 348 H ILE 46 H ILE 46 4.479 -1.158 2.308 349 HA ILE 46 HA ILE 46 2.365 -2.594 3.847 350 HB ILE 46 HB ILE 46 3.269 -3.346 1.047 351 1HG1 ILE 46 2HG1 ILE 46 0.842 -2.532 0.467 352 2HG1 ILE 46 3HG1 ILE 46 1.019 -1.456 1.851 353 1HG2 ILE 46 1HG2 ILE 46 1.337 -4.766 1.100 354 2HG2 ILE 46 2HG2 ILE 46 2.122 -4.951 2.681 355 3HG2 ILE 46 3HG2 ILE 46 0.682 -3.924 2.510 356 1HD1 ILE 46 1HD1 ILE 46 2.915 -1.579 -0.555 357 2HD1 ILE 46 2HD1 ILE 46 1.569 -0.434 -0.390 358 3HD1 ILE 46 3HD1 ILE 46 2.937 -0.349 0.721 359 H LYS 47 H LYS 47 3.190 -4.015 5.119 360 HA LYS 47 HA LYS 47 5.742 -5.422 4.513 361 1HB LYS 47 2HB LYS 47 3.992 -5.586 6.990 362 2HB LYS 47 3HB LYS 47 5.514 -6.440 6.680 363 1HG LYS 47 2HG LYS 47 6.667 -4.241 6.554 364 2HG LYS 47 3HG LYS 47 5.163 -3.425 6.994 365 1HD LYS 47 2HD LYS 47 5.298 -4.019 9.168 366 2HD LYS 47 3HD LYS 47 5.736 -5.688 8.806 367 1HE LYS 47 2HE LYS 47 7.741 -3.392 8.561 368 2HE LYS 47 3HE LYS 47 7.439 -4.194 10.108 369 1HZ LYS 47 1HZ LYS 47 9.312 -5.160 8.846 370 2HZ LYS 47 2HZ LYS 47 8.143 -6.261 9.188 371 3HZ LYS 47 3HZ LYS 47 8.276 -5.699 7.697 372 H TYR 48 H TYR 48 5.436 -7.470 3.663 373 HA TYR 48 HA TYR 48 3.013 -8.903 3.624 374 1HB TYR 48 2HB TYR 48 2.421 -8.551 1.252 375 2HB TYR 48 3HB TYR 48 2.485 -6.971 1.995 376 HD1 TYR 48 HD1 TYR 48 4.837 -5.752 1.848 377 HD2 TYR 48 HD2 TYR 48 3.685 -9.013 -0.701 378 HE1 TYR 48 HE1 TYR 48 6.897 -5.460 0.530 379 HE2 TYR 48 HE2 TYR 48 5.510 -8.424 -2.258 380 HH TYR 48 HH TYR 48 7.494 -7.240 -2.508 381 H ASP 49 H ASP 49 3.293 -10.845 2.182 382 HA ASP 49 HA ASP 49 6.107 -11.675 2.251 383 1HB ASP 49 2HB ASP 49 3.573 -13.211 1.820 384 2HB ASP 49 3HB ASP 49 5.200 -13.886 2.140 385 HA PRO 50 HA PRO 50 5.737 -10.686 -2.279 386 1HB PRO 50 2HB PRO 50 8.426 -10.876 -2.927 387 2HB PRO 50 3HB PRO 50 7.691 -9.428 -2.192 388 1HG PRO 50 2HG PRO 50 9.146 -11.662 -0.770 389 2HG PRO 50 3HG PRO 50 9.385 -9.902 -0.583 390 1HD PRO 50 2HD PRO 50 7.879 -11.246 1.156 391 2HD PRO 50 3HD PRO 50 7.328 -9.652 0.547 392 H GLU 51 H GLU 51 7.464 -13.342 -0.744 393 HA GLU 51 HA GLU 51 7.854 -15.030 -2.946 394 1HB GLU 51 2HB GLU 51 7.444 -15.592 0.016 395 2HB GLU 51 3HB GLU 51 8.063 -16.775 -1.145 396 1HG GLU 51 2HG GLU 51 10.045 -15.517 -1.573 397 2HG GLU 51 3HG GLU 51 9.431 -14.062 -0.788 398 H ILE 52 H ILE 52 4.811 -14.182 -1.463 399 HA ILE 52 HA ILE 52 3.548 -16.506 -2.866 400 HB ILE 52 HB ILE 52 1.760 -16.371 -1.110 401 1HG1 ILE 52 2HG1 ILE 52 3.938 -15.049 0.532 402 2HG1 ILE 52 3HG1 ILE 52 2.496 -14.223 -0.072 403 1HG2 ILE 52 1HG2 ILE 52 2.943 -18.000 0.300 404 2HG2 ILE 52 2HG2 ILE 52 3.462 -18.208 -1.370 405 3HG2 ILE 52 3HG2 ILE 52 4.514 -17.357 -0.223 406 1HD1 ILE 52 1HD1 ILE 52 1.061 -15.872 1.174 407 2HD1 ILE 52 2HD1 ILE 52 2.538 -16.526 1.923 408 3HD1 ILE 52 3HD1 ILE 52 2.062 -14.856 2.222 409 H ILE 53 H ILE 53 2.909 -13.184 -1.765 410 HA ILE 53 HA ILE 53 0.707 -13.133 -3.786 411 HB ILE 53 HB ILE 53 0.021 -12.333 -1.689 412 1HG1 ILE 53 2HG1 ILE 53 0.243 -10.115 -3.772 413 2HG1 ILE 53 3HG1 ILE 53 -0.891 -11.470 -3.829 414 1HG2 ILE 53 1HG2 ILE 53 1.836 -9.911 -1.863 415 2HG2 ILE 53 2HG2 ILE 53 0.767 -10.411 -0.551 416 3HG2 ILE 53 3HG2 ILE 53 2.225 -11.340 -0.869 417 1HD1 ILE 53 1HD1 ILE 53 -0.797 -9.221 -1.809 418 2HD1 ILE 53 2HD1 ILE 53 -2.060 -9.549 -3.001 419 3HD1 ILE 53 3HD1 ILE 53 -1.842 -10.660 -1.629 420 H GLY 54 H GLY 54 3.269 -10.778 -2.937 421 1HA GLY 54 2HA GLY 54 5.016 -10.413 -4.564 422 2HA GLY 54 1HA GLY 54 3.842 -10.464 -5.876 423 HA PRO 55 HA PRO 55 4.263 -6.061 -3.990 424 1HB PRO 55 2HB PRO 55 6.225 -4.940 -5.568 425 2HB PRO 55 3HB PRO 55 6.532 -5.753 -4.015 426 1HG PRO 55 2HG PRO 55 6.799 -6.905 -6.800 427 2HG PRO 55 3HG PRO 55 7.945 -7.051 -5.439 428 1HD PRO 55 2HD PRO 55 6.161 -9.034 -6.058 429 2HD PRO 55 3HD PRO 55 6.578 -8.685 -4.363 430 H ARG 56 H ARG 56 4.582 -7.192 -7.383 431 HA ARG 56 HA ARG 56 3.419 -4.986 -8.704 432 1HB ARG 56 2HB ARG 56 3.554 -7.973 -9.277 433 2HB ARG 56 3HB ARG 56 2.476 -6.957 -10.206 434 1HG ARG 56 2HG ARG 56 4.625 -5.398 -10.512 435 2HG ARG 56 3HG ARG 56 5.490 -6.885 -10.104 436 1HD ARG 56 2HD ARG 56 5.252 -6.648 -12.521 437 2HD ARG 56 3HD ARG 56 4.281 -8.038 -11.971 438 HE ARG 56 HE ARG 56 2.535 -5.840 -11.923 439 1HH1 ARG 56 2HH2 ARG 56 4.387 -7.514 -14.413 440 2HH1 ARG 56 1HH2 ARG 56 3.246 -7.185 -15.683 441 1HH2 ARG 56 2HH1 ARG 56 1.026 -5.489 -13.443 442 2HH2 ARG 56 1HH1 ARG 56 1.251 -5.915 -15.131 443 H ASP 57 H ASP 57 1.734 -7.973 -7.598 444 HA ASP 57 HA ASP 57 -0.854 -7.330 -8.038 445 1HB ASP 57 2HB ASP 57 0.345 -8.760 -5.640 446 2HB ASP 57 3HB ASP 57 -1.321 -8.928 -6.216 447 H ILE 58 H ILE 58 1.023 -6.425 -5.121 448 HA ILE 58 HA ILE 58 -1.078 -4.888 -3.883 449 HB ILE 58 HB ILE 58 1.943 -4.856 -3.634 450 1HG1 ILE 58 2HG1 ILE 58 -0.144 -5.677 -1.579 451 2HG1 ILE 58 3HG1 ILE 58 0.369 -6.811 -2.833 452 1HG2 ILE 58 1HG2 ILE 58 1.615 -3.468 -1.596 453 2HG2 ILE 58 2HG2 ILE 58 1.190 -2.591 -3.060 454 3HG2 ILE 58 3HG2 ILE 58 -0.094 -3.255 -2.026 455 1HD1 ILE 58 1HD1 ILE 58 1.640 -7.151 -0.801 456 2HD1 ILE 58 2HD1 ILE 58 2.684 -6.661 -2.153 457 3HD1 ILE 58 3HD1 ILE 58 2.283 -5.497 -0.875 458 H ILE 59 H ILE 59 1.590 -3.763 -6.051 459 HA ILE 59 HA ILE 59 0.690 -1.077 -6.105 460 HB ILE 59 HB ILE 59 2.219 -2.758 -8.102 461 1HG1 ILE 59 2HG1 ILE 59 3.154 -0.450 -6.370 462 2HG1 ILE 59 3HG1 ILE 59 3.164 -2.120 -5.797 463 1HG2 ILE 59 1HG2 ILE 59 1.676 0.229 -8.243 464 2HG2 ILE 59 2HG2 ILE 59 2.811 -0.663 -9.274 465 3HG2 ILE 59 3HG2 ILE 59 1.089 -0.991 -9.396 466 1HD1 ILE 59 1HD1 ILE 59 4.722 -1.069 -8.187 467 2HD1 ILE 59 2HD1 ILE 59 5.355 -1.578 -6.615 468 3HD1 ILE 59 3HD1 ILE 59 4.621 -2.777 -7.696 469 H HIS 60 H HIS 60 -0.373 -3.843 -8.121 470 HA HIS 60 HA HIS 60 -2.211 -2.419 -9.775 471 1HB HIS 60 2HB HIS 60 -2.600 -5.256 -8.759 472 2HB HIS 60 3HB HIS 60 -3.261 -4.528 -10.214 473 HD1 HIS 60 1HD HIS 60 -1.562 -7.225 -10.148 474 HD2 HIS 60 2HD HIS 60 -0.195 -3.376 -11.167 475 HE1 HIS 60 1HE HIS 60 0.435 -7.552 -11.685 476 H THR 61 H THR 61 -2.583 -3.988 -6.573 477 HA THR 61 HA THR 61 -5.381 -3.516 -6.314 478 HB THR 61 HB THR 61 -3.295 -3.795 -4.106 479 HG1 THR 61 1HG THR 61 -3.327 -5.549 -5.576 480 1HG2 THR 61 1HG2 THR 61 -5.422 -2.975 -3.231 481 2HG2 THR 61 2HG2 THR 61 -6.307 -4.241 -4.114 482 3HG2 THR 61 3HG2 THR 61 -5.196 -4.677 -2.797 483 H ILE 62 H ILE 62 -2.568 -1.601 -5.070 484 HA ILE 62 HA ILE 62 -4.171 0.456 -3.942 485 HB ILE 62 HB ILE 62 -1.321 0.666 -4.980 486 1HG1 ILE 62 2HG1 ILE 62 -1.244 -1.101 -3.392 487 2HG1 ILE 62 3HG1 ILE 62 -0.694 0.340 -2.566 488 1HG2 ILE 62 1HG2 ILE 62 -2.262 2.860 -4.593 489 2HG2 ILE 62 2HG2 ILE 62 -2.935 2.368 -3.028 490 3HG2 ILE 62 3HG2 ILE 62 -1.181 2.491 -3.248 491 1HD1 ILE 62 1HD1 ILE 62 -2.996 0.548 -1.558 492 2HD1 ILE 62 2HD1 ILE 62 -3.411 -1.008 -2.332 493 3HD1 ILE 62 3HD1 ILE 62 -2.098 -0.935 -1.151 494 H GLU 63 H GLU 63 -2.780 0.159 -7.273 495 HA GLU 63 HA GLU 63 -3.667 2.584 -8.318 496 1HB GLU 63 2HB GLU 63 -2.134 1.080 -9.378 497 2HB GLU 63 3HB GLU 63 -3.311 -0.216 -9.473 498 1HG GLU 63 2HG GLU 63 -3.729 2.440 -10.848 499 2HG GLU 63 3HG GLU 63 -2.800 1.098 -11.552 500 H SER 64 H SER 64 -5.264 -0.567 -8.613 501 HA SER 64 HA SER 64 -7.654 0.247 -9.653 502 1HB SER 64 2HB SER 64 -6.813 -2.031 -9.573 503 2HB SER 64 3HB SER 64 -7.149 -2.130 -7.830 504 HG SER 64 HG SER 64 -9.070 -1.663 -9.881 505 H LEU 65 H LEU 65 -6.849 0.117 -6.168 506 HA LEU 65 HA LEU 65 -9.486 0.682 -5.207 507 1HB LEU 65 2HB LEU 65 -6.732 1.160 -4.038 508 2HB LEU 65 3HB LEU 65 -8.206 1.509 -3.139 509 HG LEU 65 HG LEU 65 -7.573 -1.255 -4.247 510 1HD1 LEU 65 1HD1 LEU 65 -6.924 -1.796 -1.915 511 2HD1 LEU 65 2HD1 LEU 65 -5.871 -0.544 -2.593 512 3HD1 LEU 65 3HD1 LEU 65 -7.155 -0.098 -1.453 513 1HD2 LEU 65 1HD2 LEU 65 -9.267 -2.068 -2.781 514 2HD2 LEU 65 2HD2 LEU 65 -9.527 -0.469 -2.068 515 3HD2 LEU 65 3HD2 LEU 65 -10.010 -0.807 -3.748 516 H GLY 66 H GLY 66 -7.415 2.740 -6.972 517 1HA GLY 66 2HA GLY 66 -8.407 4.601 -7.978 518 2HA GLY 66 1HA GLY 66 -9.359 4.947 -6.531 519 H PHE 67 H PHE 67 -5.836 4.291 -7.001 520 HA PHE 67 HA PHE 67 -5.179 7.080 -6.235 521 1HB PHE 67 2HB PHE 67 -3.932 4.665 -4.892 522 2HB PHE 67 3HB PHE 67 -3.651 6.375 -4.526 523 HD1 PHE 67 1HD PHE 67 -5.578 3.463 -3.665 524 HD2 PHE 67 2HD PHE 67 -5.697 7.765 -3.697 525 HE1 PHE 67 1HE PHE 67 -7.285 3.433 -1.875 526 HE2 PHE 67 2HE PHE 67 -7.395 7.741 -1.904 527 HZ PHE 67 HZ PHE 67 -8.155 5.568 -0.944 528 H GLU 68 H GLU 68 -2.704 7.340 -6.493 529 HA GLU 68 HA GLU 68 -1.832 5.902 -8.963 530 1HB GLU 68 2HB GLU 68 -1.061 8.615 -7.880 531 2HB GLU 68 3HB GLU 68 -0.584 7.942 -9.439 532 1HG GLU 68 2HG GLU 68 -2.890 8.039 -10.246 533 2HG GLU 68 3HG GLU 68 -3.476 8.568 -8.659 534 HA PRO 69 HA PRO 69 1.237 4.750 -5.678 535 1HB PRO 69 2HB PRO 69 1.638 2.117 -6.331 536 2HB PRO 69 3HB PRO 69 0.295 2.681 -5.296 537 1HG PRO 69 2HG PRO 69 0.226 2.093 -8.256 538 2HG PRO 69 3HG PRO 69 -0.895 1.527 -6.993 539 1HD PRO 69 2HD PRO 69 -1.441 3.696 -8.573 540 2HD PRO 69 3HD PRO 69 -1.902 3.699 -6.846 541 H SER 70 H SER 70 3.345 5.181 -5.973 542 HA SER 70 HA SER 70 4.760 4.011 -8.289 543 1HB SER 70 2HB SER 70 4.334 6.361 -8.927 544 2HB SER 70 3HB SER 70 5.043 6.920 -7.396 545 HG SER 70 HG SER 70 7.049 6.188 -8.077 546 H LEU 71 H LEU 71 6.954 3.641 -7.793 547 HA LEU 71 HA LEU 71 7.710 3.475 -4.954 548 1HB LEU 71 2HB LEU 71 9.148 2.992 -7.583 549 2HB LEU 71 3HB LEU 71 10.037 3.059 -6.058 550 HG LEU 71 HG LEU 71 7.637 1.239 -6.343 551 1HD1 LEU 71 1HD1 LEU 71 9.163 0.674 -8.201 552 2HD1 LEU 71 2HD1 LEU 71 10.529 0.582 -7.068 553 3HD1 LEU 71 3HD1 LEU 71 9.198 -0.592 -6.962 554 1HD2 LEU 71 1HD2 LEU 71 8.822 -0.056 -4.591 555 2HD2 LEU 71 2HD2 LEU 71 10.142 1.129 -4.599 556 3HD2 LEU 71 3HD2 LEU 71 8.519 1.598 -4.052 557 H VAL 72 H VAL 72 9.089 4.841 -3.991 558 HA VAL 72 HA VAL 72 10.194 7.239 -5.283 559 HB VAL 72 HB VAL 72 8.131 7.359 -3.025 560 1HG1 VAL 72 1HG1 VAL 72 8.561 9.696 -2.756 561 2HG1 VAL 72 2HG1 VAL 72 10.129 8.903 -2.574 562 3HG1 VAL 72 3HG1 VAL 72 9.707 9.718 -4.096 563 1HG2 VAL 72 1HG2 VAL 72 7.055 7.429 -5.198 564 2HG2 VAL 72 2HG2 VAL 72 7.089 9.081 -4.571 565 3HG2 VAL 72 3HG2 VAL 72 8.252 8.591 -5.809 566 H LYS 73 H LYS 73 9.516 6.321 -1.890 567 HA LYS 73 HA LYS 73 10.796 5.769 -0.155 568 1HB LYS 73 2HB LYS 73 12.794 4.625 -2.160 569 2HB LYS 73 3HB LYS 73 12.733 4.352 -0.416 570 1HG LYS 73 2HG LYS 73 10.536 3.309 -0.604 571 2HG LYS 73 3HG LYS 73 10.441 3.676 -2.324 572 1HD LYS 73 2HD LYS 73 10.988 1.360 -2.024 573 2HD LYS 73 3HD LYS 73 12.324 2.214 -2.822 574 1HE LYS 73 2HE LYS 73 13.607 2.274 -0.721 575 2HE LYS 73 3HE LYS 73 12.234 1.602 0.180 576 1HZ LYS 73 1HZ LYS 73 12.484 -0.423 -1.073 577 2HZ LYS 73 2HZ LYS 73 13.735 0.212 -1.942 578 3HZ LYS 73 3HZ LYS 73 13.895 -0.042 -0.325 579 H ILE 74 H ILE 74 13.286 6.800 -2.535 580 HA ILE 74 HA ILE 74 14.336 8.756 -0.511 581 HB ILE 74 HB ILE 74 15.944 7.294 -2.631 582 1HG1 ILE 74 2HG1 ILE 74 15.215 5.598 -1.050 583 2HG1 ILE 74 3HG1 ILE 74 16.933 5.929 -0.891 584 1HG2 ILE 74 1HG2 ILE 74 16.742 9.049 -0.264 585 2HG2 ILE 74 2HG2 ILE 74 17.877 8.103 -1.250 586 3HG2 ILE 74 3HG2 ILE 74 16.955 9.418 -1.978 587 1HD1 ILE 74 1HD1 ILE 74 14.782 7.004 0.991 588 2HD1 ILE 74 2HD1 ILE 74 15.856 5.632 1.297 589 3HD1 ILE 74 3HD1 ILE 74 16.534 7.258 1.151 590 H GLU 75 H GLU 75 12.439 9.832 -1.602 591 HA GLU 75 HA GLU 75 11.539 11.349 -2.993 592 1HB GLU 75 2HB GLU 75 14.406 12.072 -3.716 593 2HB GLU 75 3HB GLU 75 12.964 13.057 -3.971 594 1HG GLU 75 2HG GLU 75 12.563 13.091 -1.496 595 2HG GLU 75 3HG GLU 75 14.076 12.198 -1.256 Start of MODEL 30 1 1H MET 1 H1 MET 1 15.997 -8.583 -1.090 2 2H MET 1 H2 MET 1 14.967 -8.497 -2.393 3 3H MET 1 H3 MET 1 14.373 -8.690 -0.892 4 HA MET 1 HA MET 1 14.252 -10.783 -1.934 5 1HB MET 1 2HB MET 1 17.220 -10.375 -2.476 6 2HB MET 1 3HB MET 1 16.354 -11.910 -2.646 7 1HG MET 1 2HG MET 1 14.810 -10.855 -4.285 8 2HG MET 1 3HG MET 1 15.762 -9.361 -4.200 9 1HE MET 1 1HE MET 1 15.966 -9.346 -6.817 10 2HE MET 1 2HE MET 1 16.551 -10.738 -7.758 11 3HE MET 1 3HE MET 1 15.006 -10.848 -6.884 12 H GLY 2 H GLY 2 13.626 -11.206 0.146 13 1HA GLY 2 2HA GLY 2 14.069 -12.680 2.097 14 2HA GLY 2 1HA GLY 2 15.711 -12.012 2.179 15 H ASP 3 H ASP 3 12.340 -10.954 1.911 16 HA ASP 3 HA ASP 3 13.077 -8.276 2.870 17 1HB ASP 3 2HB ASP 3 10.690 -9.274 1.268 18 2HB ASP 3 3HB ASP 3 11.226 -7.584 1.452 19 H GLY 4 H GLY 4 9.857 -8.180 2.880 20 1HA GLY 4 2HA GLY 4 8.557 -9.392 4.816 21 2HA GLY 4 1HA GLY 4 9.637 -8.395 5.817 22 H VAL 5 H VAL 5 9.818 -6.152 3.936 23 HA VAL 5 HA VAL 5 7.079 -5.143 3.877 24 HB VAL 5 HB VAL 5 7.357 -3.373 5.316 25 1HG1 VAL 5 1HG1 VAL 5 9.387 -5.255 6.601 26 2HG1 VAL 5 2HG1 VAL 5 8.359 -4.066 7.408 27 3HG1 VAL 5 3HG1 VAL 5 7.632 -5.500 6.667 28 1HG2 VAL 5 1HG2 VAL 5 9.294 -2.282 4.349 29 2HG2 VAL 5 2HG2 VAL 5 9.491 -2.414 6.093 30 3HG2 VAL 5 3HG2 VAL 5 10.375 -3.528 5.022 31 H LEU 6 H LEU 6 6.772 -3.157 2.754 32 HA LEU 6 HA LEU 6 8.878 -2.166 1.010 33 1HB LEU 6 2HB LEU 6 7.985 -4.043 -0.306 34 2HB LEU 6 3HB LEU 6 6.325 -3.485 -0.010 35 HG LEU 6 HG LEU 6 6.776 -1.458 -1.387 36 1HD1 LEU 6 1HD1 LEU 6 9.262 -1.304 -1.109 37 2HD1 LEU 6 2HD1 LEU 6 9.442 -2.839 -1.978 38 3HD1 LEU 6 3HD1 LEU 6 8.805 -1.408 -2.813 39 1HD2 LEU 6 1HD2 LEU 6 5.773 -3.490 -2.360 40 2HD2 LEU 6 2HD2 LEU 6 6.766 -2.610 -3.535 41 3HD2 LEU 6 3HD2 LEU 6 7.395 -4.088 -2.777 42 H GLU 7 H GLU 7 8.107 -0.082 0.066 43 HA GLU 7 HA GLU 7 5.712 1.063 1.408 44 1HB GLU 7 2HB GLU 7 8.451 2.335 0.978 45 2HB GLU 7 3HB GLU 7 6.968 3.180 1.432 46 1HG GLU 7 2HG GLU 7 6.879 1.695 3.501 47 2HG GLU 7 3HG GLU 7 8.525 1.169 3.093 48 H LEU 8 H LEU 8 4.649 2.685 0.200 49 HA LEU 8 HA LEU 8 5.637 3.357 -2.430 50 1HB LEU 8 2HB LEU 8 3.570 2.622 -3.649 51 2HB LEU 8 3HB LEU 8 4.649 1.350 -3.145 52 HG LEU 8 HG LEU 8 2.450 0.624 -2.994 53 1HD1 LEU 8 1HD1 LEU 8 3.220 0.991 -0.099 54 2HD1 LEU 8 2HD1 LEU 8 2.237 -0.267 -0.838 55 3HD1 LEU 8 3HD1 LEU 8 3.969 -0.185 -1.210 56 1HD2 LEU 8 1HD2 LEU 8 1.744 2.820 -1.052 57 2HD2 LEU 8 2HD2 LEU 8 1.343 2.816 -2.779 58 3HD2 LEU 8 3HD2 LEU 8 0.672 1.571 -1.705 59 H VAL 9 H VAL 9 4.720 5.248 -3.245 60 HA VAL 9 HA VAL 9 3.387 6.974 -1.228 61 HB VAL 9 HB VAL 9 5.068 7.522 -3.690 62 1HG1 VAL 9 1HG1 VAL 9 3.163 9.120 -3.815 63 2HG1 VAL 9 2HG1 VAL 9 3.450 9.569 -2.116 64 3HG1 VAL 9 3HG1 VAL 9 4.662 9.931 -3.352 65 1HG2 VAL 9 1HG2 VAL 9 6.402 8.819 -2.069 66 2HG2 VAL 9 2HG2 VAL 9 5.210 8.490 -0.793 67 3HG2 VAL 9 3HG2 VAL 9 6.181 7.168 -1.470 68 H VAL 10 H VAL 10 1.300 7.667 -1.616 69 HA VAL 10 HA VAL 10 -0.020 6.554 -4.044 70 HB VAL 10 HB VAL 10 -1.789 6.367 -1.762 71 1HG1 VAL 10 1HG1 VAL 10 -0.657 3.976 -3.136 72 2HG1 VAL 10 2HG1 VAL 10 -2.316 4.350 -2.657 73 3HG1 VAL 10 3HG1 VAL 10 -1.606 5.073 -4.119 74 1HG2 VAL 10 1HG2 VAL 10 -0.661 4.500 -0.634 75 2HG2 VAL 10 2HG2 VAL 10 0.801 4.819 -1.587 76 3HG2 VAL 10 3HG2 VAL 10 0.241 6.016 -0.392 77 H ARG 11 H ARG 11 0.163 8.635 -4.914 78 HA ARG 11 HA ARG 11 -1.289 10.903 -3.867 79 1HB ARG 11 2HB ARG 11 -0.397 10.061 -6.626 80 2HB ARG 11 3HB ARG 11 -1.368 11.523 -6.371 81 1HG ARG 11 2HG ARG 11 0.237 12.485 -4.883 82 2HG ARG 11 3HG ARG 11 1.209 11.017 -4.820 83 1HD ARG 11 2HD ARG 11 0.812 12.423 -7.489 84 2HD ARG 11 3HD ARG 11 1.925 13.068 -6.296 85 HE ARG 11 HE ARG 11 3.368 11.311 -6.463 86 1HH1 ARG 11 2HH2 ARG 11 0.536 10.619 -8.560 87 2HH1 ARG 11 1HH2 ARG 11 1.339 9.176 -9.200 88 1HH2 ARG 11 2HH1 ARG 11 4.323 9.413 -7.532 89 2HH2 ARG 11 1HH1 ARG 11 3.263 8.564 -8.664 90 H GLY 12 H GLY 12 -3.444 11.332 -3.876 91 1HA GLY 12 2HA GLY 12 -5.676 10.842 -4.960 92 2HA GLY 12 1HA GLY 12 -5.304 9.135 -4.723 93 H MET 13 H MET 13 -3.879 9.625 -2.111 94 HA MET 13 HA MET 13 -6.101 9.916 -0.252 95 1HB MET 13 2HB MET 13 -3.092 9.935 -0.022 96 2HB MET 13 3HB MET 13 -4.106 10.464 1.330 97 1HG MET 13 2HG MET 13 -5.269 8.341 1.372 98 2HG MET 13 3HG MET 13 -4.241 7.714 0.070 99 1HE MET 13 1HE MET 13 -0.816 7.428 1.893 100 2HE MET 13 2HE MET 13 -1.783 6.945 0.482 101 3HE MET 13 3HE MET 13 -1.396 8.659 0.752 102 H THR 14 H THR 14 -6.690 11.775 0.920 103 HA THR 14 HA THR 14 -5.419 14.312 0.550 104 HB THR 14 HB THR 14 -6.243 14.305 -1.655 105 HG1 THR 14 1HG THR 14 -7.564 16.093 -1.585 106 1HG2 THR 14 1HG2 THR 14 -8.445 13.921 -2.413 107 2HG2 THR 14 2HG2 THR 14 -8.074 12.531 -1.395 108 3HG2 THR 14 3HG2 THR 14 -9.119 13.839 -0.788 109 H CYS 15 H CYS 15 -8.799 13.127 1.023 110 HA CYS 15 HA CYS 15 -9.225 15.189 2.992 111 1HB CYS 15 2HB CYS 15 -11.015 14.621 1.517 112 2HB CYS 15 3HB CYS 15 -10.987 12.913 2.005 113 HG CYS 15 HG CYS 15 -13.071 14.149 3.027 114 H ALA 16 H ALA 16 -9.951 11.712 3.449 115 HA ALA 16 HA ALA 16 -8.420 11.457 5.895 116 1HB ALA 16 1HB ALA 16 -10.424 11.195 7.384 117 2HB ALA 16 2HB ALA 16 -10.164 12.871 6.859 118 3HB ALA 16 3HB ALA 16 -11.441 11.892 6.109 119 H SER 17 H SER 17 -11.601 10.330 4.703 120 HA SER 17 HA SER 17 -11.469 7.781 5.618 121 1HB SER 17 2HB SER 17 -13.441 8.920 4.492 122 2HB SER 17 3HB SER 17 -12.753 8.421 2.931 123 HG SER 17 HG SER 17 -12.814 6.219 3.907 124 H CYS 18 H CYS 18 -10.050 8.914 2.570 125 HA CYS 18 HA CYS 18 -9.226 6.672 1.227 126 1HB CYS 18 2HB CYS 18 -7.605 9.174 1.773 127 2HB CYS 18 3HB CYS 18 -7.238 7.899 0.582 128 HG CYS 18 HG CYS 18 -8.207 9.828 -0.789 129 H VAL 19 H VAL 19 -7.845 7.832 4.322 130 HA VAL 19 HA VAL 19 -5.632 6.106 4.471 131 HB VAL 19 HB VAL 19 -7.454 7.276 6.609 132 1HG1 VAL 19 1HG1 VAL 19 -6.299 5.300 7.589 133 2HG1 VAL 19 2HG1 VAL 19 -4.742 5.968 7.064 134 3HG1 VAL 19 3HG1 VAL 19 -5.721 6.826 8.256 135 1HG2 VAL 19 1HG2 VAL 19 -5.599 8.868 6.914 136 2HG2 VAL 19 2HG2 VAL 19 -4.651 8.044 5.658 137 3HG2 VAL 19 3HG2 VAL 19 -6.141 8.905 5.229 138 H HIS 20 H HIS 20 -8.860 5.532 6.089 139 HA HIS 20 HA HIS 20 -8.118 2.806 6.553 140 1HB HIS 20 2HB HIS 20 -9.826 2.699 7.903 141 2HB HIS 20 3HB HIS 20 -9.976 4.434 7.685 142 HD1 HIS 20 1HD HIS 20 -12.246 1.920 8.167 143 HD2 HIS 20 2HD HIS 20 -11.613 4.502 4.920 144 HE1 HIS 20 1HE HIS 20 -14.451 2.063 6.891 145 H LYS 21 H LYS 21 -9.654 4.447 3.891 146 HA LYS 21 HA LYS 21 -10.824 2.317 2.490 147 1HB LYS 21 2HB LYS 21 -10.375 4.967 2.043 148 2HB LYS 21 3HB LYS 21 -9.241 4.308 0.885 149 1HG LYS 21 2HG LYS 21 -12.178 3.470 0.999 150 2HG LYS 21 3HG LYS 21 -11.630 4.931 0.172 151 1HD LYS 21 2HD LYS 21 -10.072 3.587 -1.219 152 2HD LYS 21 3HD LYS 21 -10.728 2.100 -0.493 153 1HE LYS 21 2HE LYS 21 -12.987 2.672 -1.353 154 2HE LYS 21 3HE LYS 21 -12.390 4.225 -1.967 155 1HZ LYS 21 1HZ LYS 21 -10.996 3.044 -3.518 156 2HZ LYS 21 2HZ LYS 21 -11.525 1.593 -2.951 157 3HZ LYS 21 3HZ LYS 21 -12.563 2.616 -3.709 158 H ILE 22 H ILE 22 -7.414 3.351 2.738 159 HA ILE 22 HA ILE 22 -6.450 1.226 0.928 160 HB ILE 22 HB ILE 22 -5.113 3.360 2.629 161 1HG1 ILE 22 2HG1 ILE 22 -5.136 2.858 -0.336 162 2HG1 ILE 22 3HG1 ILE 22 -6.257 3.953 0.526 163 1HG2 ILE 22 1HG2 ILE 22 -3.880 1.198 0.901 164 2HG2 ILE 22 2HG2 ILE 22 -2.981 2.585 1.535 165 3HG2 ILE 22 3HG2 ILE 22 -3.641 1.405 2.662 166 1HD1 ILE 22 1HD1 ILE 22 -4.421 5.386 1.188 167 2HD1 ILE 22 2HD1 ILE 22 -3.265 4.373 0.269 168 3HD1 ILE 22 3HD1 ILE 22 -4.546 5.241 -0.569 169 H GLU 23 H GLU 23 -5.957 2.137 4.327 170 HA GLU 23 HA GLU 23 -4.535 -0.025 5.115 171 1HB GLU 23 2HB GLU 23 -5.529 2.246 6.310 172 2HB GLU 23 3HB GLU 23 -6.458 1.042 7.184 173 1HG GLU 23 2HG GLU 23 -4.481 0.038 8.070 174 2HG GLU 23 3HG GLU 23 -3.442 0.796 6.847 175 H SER 24 H SER 24 -8.069 0.285 5.464 176 HA SER 24 HA SER 24 -8.367 -2.402 6.543 177 1HB SER 24 2HB SER 24 -9.796 -0.442 7.212 178 2HB SER 24 3HB SER 24 -10.542 -0.499 5.599 179 HG SER 24 HG SER 24 -10.932 -2.801 6.146 180 H SER 25 H SER 25 -7.725 -1.414 3.429 181 HA SER 25 HA SER 25 -9.382 -3.513 2.142 182 1HB SER 25 2HB SER 25 -9.482 -1.278 1.211 183 2HB SER 25 3HB SER 25 -7.748 -1.329 0.836 184 HG SER 25 HG SER 25 -8.230 -3.208 -0.460 185 H LEU 26 H LEU 26 -5.997 -2.488 2.815 186 HA LEU 26 HA LEU 26 -4.805 -4.763 1.500 187 1HB LEU 26 2HB LEU 26 -3.855 -2.919 3.731 188 2HB LEU 26 3HB LEU 26 -2.939 -4.336 3.252 189 HG LEU 26 HG LEU 26 -1.915 -2.579 2.189 190 1HD1 LEU 26 1HD1 LEU 26 -2.238 -4.588 0.744 191 2HD1 LEU 26 2HD1 LEU 26 -3.641 -3.796 -0.012 192 3HD1 LEU 26 3HD1 LEU 26 -2.046 -3.078 -0.164 193 1HD2 LEU 26 1HD2 LEU 26 -2.943 -0.909 0.815 194 2HD2 LEU 26 2HD2 LEU 26 -4.555 -1.637 1.040 195 3HD2 LEU 26 3HD2 LEU 26 -3.685 -0.925 2.424 196 H THR 27 H THR 27 -5.944 -4.243 4.873 197 HA THR 27 HA THR 27 -4.800 -6.603 5.901 198 HB THR 27 HB THR 27 -6.463 -6.252 7.764 199 HG1 THR 27 1HG THR 27 -8.096 -5.429 6.432 200 1HG2 THR 27 1HG2 THR 27 -5.555 -4.080 8.474 201 2HG2 THR 27 2HG2 THR 27 -4.266 -5.068 7.751 202 3HG2 THR 27 3HG2 THR 27 -5.010 -3.757 6.826 203 H LYS 28 H LYS 28 -5.316 -8.111 4.227 204 HA LYS 28 HA LYS 28 -7.099 -10.156 4.700 205 1HB LYS 28 2HB LYS 28 -8.791 -9.944 2.939 206 2HB LYS 28 3HB LYS 28 -9.001 -8.758 4.202 207 1HG LYS 28 2HG LYS 28 -7.542 -7.238 2.503 208 2HG LYS 28 3HG LYS 28 -8.076 -8.437 1.331 209 1HD LYS 28 2HD LYS 28 -9.608 -6.649 1.222 210 2HD LYS 28 3HD LYS 28 -10.473 -7.954 2.064 211 1HE LYS 28 2HE LYS 28 -10.031 -6.840 4.259 212 2HE LYS 28 3HE LYS 28 -8.969 -5.679 3.463 213 1HZ LYS 28 1HZ LYS 28 -11.887 -5.841 3.295 214 2HZ LYS 28 2HZ LYS 28 -10.899 -4.612 3.824 215 3HZ LYS 28 3HZ LYS 28 -10.982 -4.959 2.224 216 H HIS 29 H HIS 29 -5.328 -8.207 2.257 217 HA HIS 29 HA HIS 29 -5.209 -10.085 0.184 218 1HB HIS 29 2HB HIS 29 -3.348 -7.912 1.148 219 2HB HIS 29 3HB HIS 29 -2.829 -8.987 -0.144 220 HD1 HIS 29 1HD HIS 29 -3.667 -8.339 -2.575 221 HD2 HIS 29 2HD HIS 29 -5.971 -6.815 0.619 222 HE1 HIS 29 1HE HIS 29 -5.609 -7.107 -3.596 223 H ARG 30 H ARG 30 -4.540 -12.118 0.088 224 HA ARG 30 HA ARG 30 -3.563 -13.402 2.416 225 1HB ARG 30 2HB ARG 30 -5.149 -14.372 0.768 226 2HB ARG 30 3HB ARG 30 -3.817 -14.530 -0.394 227 1HG ARG 30 2HG ARG 30 -2.613 -15.994 1.278 228 2HG ARG 30 3HG ARG 30 -4.010 -15.847 2.361 229 1HD ARG 30 2HD ARG 30 -5.441 -16.925 0.668 230 2HD ARG 30 3HD ARG 30 -4.064 -16.975 -0.468 231 HE ARG 30 HE ARG 30 -3.309 -18.249 1.960 232 1HH1 ARG 30 2HH2 ARG 30 -5.413 -18.771 -0.808 233 2HH1 ARG 30 1HH2 ARG 30 -5.318 -20.506 -0.780 234 1HH2 ARG 30 2HH1 ARG 30 -3.137 -20.555 2.047 235 2HH2 ARG 30 1HH1 ARG 30 -3.986 -21.543 0.904 236 H GLY 31 H GLY 31 -1.618 -12.160 2.712 237 1HA GLY 31 2HA GLY 31 0.788 -13.362 2.536 238 2HA GLY 31 1HA GLY 31 0.690 -12.608 0.936 239 H ILE 32 H ILE 32 -1.100 -10.400 2.480 240 HA ILE 32 HA ILE 32 0.926 -8.581 3.303 241 HB ILE 32 HB ILE 32 -1.775 -8.538 2.624 242 1HG1 ILE 32 2HG1 ILE 32 -0.016 -6.654 2.528 243 2HG1 ILE 32 3HG1 ILE 32 -1.753 -6.307 2.656 244 1HG2 ILE 32 1HG2 ILE 32 -1.586 -8.040 5.611 245 2HG2 ILE 32 2HG2 ILE 32 -2.974 -7.650 4.578 246 3HG2 ILE 32 3HG2 ILE 32 -2.488 -9.342 4.802 247 1HD1 ILE 32 1HD1 ILE 32 0.049 -6.517 5.026 248 2HD1 ILE 32 2HD1 ILE 32 -0.260 -4.966 4.184 249 3HD1 ILE 32 3HD1 ILE 32 -1.586 -5.821 4.986 250 H LEU 33 H LEU 33 1.571 -8.210 5.392 251 HA LEU 33 HA LEU 33 0.802 -10.123 7.565 252 1HB LEU 33 2HB LEU 33 3.289 -8.409 7.231 253 2HB LEU 33 3HB LEU 33 2.943 -9.459 8.609 254 HG LEU 33 HG LEU 33 3.291 -10.432 5.729 255 1HD1 LEU 33 1HD1 LEU 33 5.374 -9.464 6.604 256 2HD1 LEU 33 2HD1 LEU 33 5.248 -10.482 8.057 257 3HD1 LEU 33 3HD1 LEU 33 5.493 -11.224 6.462 258 1HD2 LEU 33 1HD2 LEU 33 3.560 -12.657 6.815 259 2HD2 LEU 33 2HD2 LEU 33 3.101 -11.940 8.373 260 3HD2 LEU 33 3HD2 LEU 33 1.936 -12.001 7.028 261 H TYR 34 H TYR 34 1.414 -6.665 6.685 262 HA TYR 34 HA TYR 34 -0.660 -5.753 8.455 263 1HB TYR 34 2HB TYR 34 1.188 -6.187 10.104 264 2HB TYR 34 3HB TYR 34 2.261 -5.192 9.135 265 HD1 TYR 34 HD1 TYR 34 -1.192 -4.859 10.645 266 HD2 TYR 34 HD2 TYR 34 2.692 -3.085 10.039 267 HE1 TYR 34 HE1 TYR 34 -1.912 -2.844 11.889 268 HE2 TYR 34 HE2 TYR 34 2.015 -1.145 11.421 269 HH TYR 34 HH TYR 34 -1.325 -0.702 12.565 270 H CYS 35 H CYS 35 -0.837 -3.307 8.238 271 HA CYS 35 HA CYS 35 0.736 -2.102 6.048 272 1HB CYS 35 2HB CYS 35 -1.374 -0.952 5.244 273 2HB CYS 35 3HB CYS 35 -1.383 -2.639 4.845 274 HG CYS 35 HG CYS 35 -3.764 -2.104 5.601 275 H SER 36 H SER 36 0.670 0.193 6.180 276 HA SER 36 HA SER 36 -0.989 1.446 8.184 277 1HB SER 36 2HB SER 36 1.970 2.091 8.408 278 2HB SER 36 3HB SER 36 0.635 2.639 9.430 279 HG SER 36 HG SER 36 0.455 0.128 9.686 280 H VAL 37 H VAL 37 -1.939 3.023 6.791 281 HA VAL 37 HA VAL 37 -0.101 4.375 4.915 282 HB VAL 37 HB VAL 37 -2.250 3.004 4.297 283 1HG1 VAL 37 1HG1 VAL 37 -3.521 5.637 5.120 284 2HG1 VAL 37 2HG1 VAL 37 -4.287 4.240 4.358 285 3HG1 VAL 37 3HG1 VAL 37 -3.698 4.098 6.010 286 1HG2 VAL 37 1HG2 VAL 37 -2.774 4.633 2.513 287 2HG2 VAL 37 2HG2 VAL 37 -1.641 5.770 3.276 288 3HG2 VAL 37 3HG2 VAL 37 -1.070 4.199 2.671 289 H ALA 38 H ALA 38 -0.123 6.650 4.717 290 HA ALA 38 HA ALA 38 -1.791 8.158 6.610 291 1HB ALA 38 1HB ALA 38 0.264 7.865 7.918 292 2HB ALA 38 2HB ALA 38 1.231 8.504 6.564 293 3HB ALA 38 3HB ALA 38 0.045 9.550 7.387 294 H LEU 39 H LEU 39 -2.475 9.993 5.784 295 HA LEU 39 HA LEU 39 -1.990 10.514 2.973 296 1HB LEU 39 2HB LEU 39 -3.749 12.096 3.070 297 2HB LEU 39 3HB LEU 39 -4.205 10.650 3.962 298 HG LEU 39 HG LEU 39 -3.362 12.099 6.069 299 1HD1 LEU 39 1HD1 LEU 39 -4.331 14.217 4.078 300 2HD1 LEU 39 2HD1 LEU 39 -3.965 14.476 5.792 301 3HD1 LEU 39 3HD1 LEU 39 -2.665 14.101 4.658 302 1HD2 LEU 39 1HD2 LEU 39 -5.711 12.865 6.335 303 2HD2 LEU 39 2HD2 LEU 39 -6.024 12.470 4.633 304 3HD2 LEU 39 3HD2 LEU 39 -5.618 11.185 5.792 305 H ALA 40 H ALA 40 -1.049 12.052 6.032 306 HA ALA 40 HA ALA 40 0.008 14.458 5.009 307 1HB ALA 40 1HB ALA 40 1.341 14.506 7.088 308 2HB ALA 40 2HB ALA 40 -0.338 14.029 7.407 309 3HB ALA 40 3HB ALA 40 0.949 12.800 7.394 310 H THR 41 H THR 41 1.626 11.272 5.529 311 HA THR 41 HA THR 41 4.092 12.075 4.271 312 HB THR 41 HB THR 41 3.128 9.236 4.691 313 HG1 THR 41 1HG THR 41 3.855 11.043 6.746 314 1HG2 THR 41 1HG2 THR 41 5.774 10.643 5.322 315 2HG2 THR 41 2HG2 THR 41 5.436 8.908 5.493 316 3HG2 THR 41 3HG2 THR 41 5.461 9.659 3.879 317 H ASN 42 H ASN 42 1.009 11.387 3.060 318 HA ASN 42 HA ASN 42 0.059 10.365 1.390 319 1HB ASN 42 2HB ASN 42 1.001 12.426 0.324 320 2HB ASN 42 3HB ASN 42 2.400 11.482 -0.219 321 1HD2 ASN 42 1HD2 ASN 42 -1.188 11.074 -0.148 322 2HD2 ASN 42 2HD2 ASN 42 -1.286 10.333 -1.736 323 H LYS 43 H LYS 43 1.370 8.470 2.840 324 HA LYS 43 HA LYS 43 2.687 6.721 0.807 325 1HB LYS 43 2HB LYS 43 4.309 8.053 2.315 326 2HB LYS 43 3HB LYS 43 3.721 7.011 3.626 327 1HG LYS 43 2HG LYS 43 4.306 5.081 1.868 328 2HG LYS 43 3HG LYS 43 5.305 6.311 1.122 329 1HD LYS 43 2HD LYS 43 5.436 5.425 4.065 330 2HD LYS 43 3HD LYS 43 6.353 4.711 2.760 331 1HE LYS 43 2HE LYS 43 7.345 7.036 2.282 332 2HE LYS 43 3HE LYS 43 6.615 7.535 3.817 333 1HZ LYS 43 1HZ LYS 43 7.889 5.404 4.650 334 2HZ LYS 43 2HZ LYS 43 8.729 5.527 3.335 335 3HZ LYS 43 3HZ LYS 43 8.781 6.800 4.391 336 H ALA 44 H ALA 44 2.363 4.555 0.999 337 HA ALA 44 HA ALA 44 1.041 3.499 3.453 338 1HB ALA 44 1HB ALA 44 1.283 1.921 0.901 339 2HB ALA 44 2HB ALA 44 0.233 1.653 2.290 340 3HB ALA 44 3HB ALA 44 -0.118 2.968 1.150 341 H HIS 45 H HIS 45 2.322 2.216 4.690 342 HA HIS 45 HA HIS 45 4.582 0.886 3.281 343 1HB HIS 45 2HB HIS 45 5.721 0.449 5.130 344 2HB HIS 45 3HB HIS 45 5.087 2.027 5.574 345 HD1 HIS 45 1HD HIS 45 4.628 1.870 8.096 346 HD2 HIS 45 2HD HIS 45 3.971 -1.753 6.061 347 HE1 HIS 45 1HE HIS 45 4.170 0.094 9.857 348 H ILE 46 H ILE 46 4.473 -1.290 3.090 349 HA ILE 46 HA ILE 46 2.138 -2.712 4.256 350 HB ILE 46 HB ILE 46 3.230 -2.839 1.446 351 1HG1 ILE 46 2HG1 ILE 46 0.405 -2.651 2.596 352 2HG1 ILE 46 3HG1 ILE 46 1.345 -1.252 2.039 353 1HG2 ILE 46 1HG2 ILE 46 1.573 -4.924 2.893 354 2HG2 ILE 46 2HG2 ILE 46 1.787 -4.876 1.132 355 3HG2 ILE 46 3HG2 ILE 46 3.178 -5.125 2.169 356 1HD1 ILE 46 1HD1 ILE 46 1.486 -2.366 -0.235 357 2HD1 ILE 46 2HD1 ILE 46 0.240 -3.497 0.350 358 3HD1 ILE 46 3HD1 ILE 46 -0.107 -1.760 0.259 359 H LYS 47 H LYS 47 2.725 -4.415 5.278 360 HA LYS 47 HA LYS 47 5.434 -5.579 5.063 361 1HB LYS 47 2HB LYS 47 3.436 -6.045 7.283 362 2HB LYS 47 3HB LYS 47 5.076 -6.703 7.122 363 1HG LYS 47 2HG LYS 47 5.831 -4.215 7.032 364 2HG LYS 47 3HG LYS 47 4.209 -3.840 7.633 365 1HD LYS 47 2HD LYS 47 4.597 -5.398 9.561 366 2HD LYS 47 3HD LYS 47 6.240 -5.693 8.962 367 1HE LYS 47 2HE LYS 47 6.751 -3.247 9.191 368 2HE LYS 47 3HE LYS 47 5.118 -2.968 9.808 369 1HZ LYS 47 1HZ LYS 47 7.158 -4.645 11.107 370 2HZ LYS 47 2HZ LYS 47 6.704 -3.135 11.571 371 3HZ LYS 47 3HZ LYS 47 5.633 -4.377 11.673 372 H TYR 48 H TYR 48 5.403 -7.579 4.039 373 HA TYR 48 HA TYR 48 3.164 -9.212 3.785 374 1HB TYR 48 2HB TYR 48 2.456 -8.953 1.575 375 2HB TYR 48 3HB TYR 48 2.530 -7.306 2.148 376 HD1 TYR 48 HD1 TYR 48 3.217 -9.409 -0.528 377 HD2 TYR 48 HD2 TYR 48 5.171 -6.300 1.726 378 HE1 TYR 48 HE1 TYR 48 4.542 -8.793 -2.520 379 HE2 TYR 48 HE2 TYR 48 6.598 -5.811 -0.219 380 HH TYR 48 HH TYR 48 7.009 -6.220 -2.442 381 H ASP 49 H ASP 49 3.742 -11.141 2.403 382 HA ASP 49 HA ASP 49 6.674 -11.570 2.277 383 1HB ASP 49 2HB ASP 49 4.361 -13.492 1.964 384 2HB ASP 49 3HB ASP 49 6.083 -13.914 1.981 385 HA PRO 50 HA PRO 50 5.907 -10.750 -2.165 386 1HB PRO 50 2HB PRO 50 8.430 -10.165 -3.004 387 2HB PRO 50 3HB PRO 50 7.535 -9.089 -1.908 388 1HG PRO 50 2HG PRO 50 9.548 -11.204 -1.113 389 2HG PRO 50 3HG PRO 50 9.546 -9.468 -0.685 390 1HD PRO 50 2HD PRO 50 8.483 -11.366 0.966 391 2HD PRO 50 3HD PRO 50 7.718 -9.756 0.806 392 H GLU 51 H GLU 51 6.240 -13.537 -1.044 393 HA GLU 51 HA GLU 51 7.517 -14.853 -3.404 394 1HB GLU 51 2HB GLU 51 8.750 -14.901 -1.122 395 2HB GLU 51 3HB GLU 51 7.480 -16.016 -0.602 396 1HG GLU 51 2HG GLU 51 8.135 -17.585 -2.395 397 2HG GLU 51 3HG GLU 51 9.276 -16.394 -3.047 398 H ILE 52 H ILE 52 4.604 -14.143 -2.027 399 HA ILE 52 HA ILE 52 3.359 -16.582 -3.187 400 HB ILE 52 HB ILE 52 1.584 -16.182 -1.286 401 1HG1 ILE 52 2HG1 ILE 52 4.130 -15.415 0.223 402 2HG1 ILE 52 3HG1 ILE 52 2.884 -14.248 -0.220 403 1HG2 ILE 52 1HG2 ILE 52 4.190 -17.677 -0.791 404 2HG2 ILE 52 2HG2 ILE 52 2.612 -18.040 -0.062 405 3HG2 ILE 52 3HG2 ILE 52 2.844 -18.263 -1.789 406 1HD1 ILE 52 1HD1 ILE 52 1.198 -15.567 1.061 407 2HD1 ILE 52 2HD1 ILE 52 2.509 -16.629 1.630 408 3HD1 ILE 52 3HD1 ILE 52 2.519 -14.919 2.053 409 H ILE 53 H ILE 53 2.301 -13.481 -1.816 410 HA ILE 53 HA ILE 53 0.240 -13.324 -3.850 411 HB ILE 53 HB ILE 53 -0.125 -12.717 -1.551 412 1HG1 ILE 53 2HG1 ILE 53 -0.515 -10.113 -2.978 413 2HG1 ILE 53 3HG1 ILE 53 -1.211 -11.561 -3.711 414 1HG2 ILE 53 1HG2 ILE 53 1.568 -10.220 -1.957 415 2HG2 ILE 53 2HG2 ILE 53 0.650 -10.657 -0.522 416 3HG2 ILE 53 3HG2 ILE 53 2.058 -11.621 -0.975 417 1HD1 ILE 53 1HD1 ILE 53 -2.810 -10.457 -2.130 418 2HD1 ILE 53 2HD1 ILE 53 -2.420 -12.122 -1.671 419 3HD1 ILE 53 3HD1 ILE 53 -1.659 -10.771 -0.806 420 H GLY 54 H GLY 54 3.059 -11.371 -3.005 421 1HA GLY 54 2HA GLY 54 4.683 -10.537 -4.426 422 2HA GLY 54 1HA GLY 54 3.691 -10.909 -5.845 423 HA PRO 55 HA PRO 55 3.546 -6.322 -4.457 424 1HB PRO 55 2HB PRO 55 5.060 -5.180 -6.469 425 2HB PRO 55 3HB PRO 55 5.724 -5.764 -4.922 426 1HG PRO 55 2HG PRO 55 5.651 -7.232 -7.569 427 2HG PRO 55 3HG PRO 55 7.035 -7.047 -6.453 428 1HD PRO 55 2HD PRO 55 5.526 -9.298 -6.436 429 2HD PRO 55 3HD PRO 55 6.096 -8.591 -4.897 430 H ARG 56 H ARG 56 3.350 -7.896 -7.644 431 HA ARG 56 HA ARG 56 2.003 -5.928 -9.083 432 1HB ARG 56 2HB ARG 56 1.932 -8.962 -9.234 433 2HB ARG 56 3HB ARG 56 1.095 -7.959 -10.417 434 1HG ARG 56 2HG ARG 56 4.024 -7.469 -9.810 435 2HG ARG 56 3HG ARG 56 3.557 -8.763 -10.908 436 1HD ARG 56 2HD ARG 56 2.428 -5.976 -11.330 437 2HD ARG 56 3HD ARG 56 4.089 -6.324 -11.798 438 HE ARG 56 HE ARG 56 2.959 -8.375 -13.002 439 1HH1 ARG 56 2HH2 ARG 56 1.298 -5.271 -12.982 440 2HH1 ARG 56 1HH2 ARG 56 1.461 -4.981 -14.686 441 1HH2 ARG 56 2HH1 ARG 56 2.802 -8.226 -15.298 442 2HH2 ARG 56 1HH1 ARG 56 2.044 -6.848 -16.026 443 H ASP 57 H ASP 57 0.432 -8.655 -7.335 444 HA ASP 57 HA ASP 57 -2.260 -8.035 -7.684 445 1HB ASP 57 2HB ASP 57 -1.607 -10.056 -6.549 446 2HB ASP 57 3HB ASP 57 -0.703 -9.167 -5.317 447 H ILE 58 H ILE 58 -0.188 -7.023 -5.008 448 HA ILE 58 HA ILE 58 -1.973 -5.323 -3.692 449 HB ILE 58 HB ILE 58 1.059 -5.452 -3.825 450 1HG1 ILE 58 2HG1 ILE 58 -0.899 -6.249 -1.621 451 2HG1 ILE 58 3HG1 ILE 58 -0.363 -7.366 -2.877 452 1HG2 ILE 58 1HG2 ILE 58 -0.624 -3.776 -1.926 453 2HG2 ILE 58 2HG2 ILE 58 1.131 -4.064 -1.804 454 3HG2 ILE 58 3HG2 ILE 58 0.492 -3.144 -3.154 455 1HD1 ILE 58 1HD1 ILE 58 0.953 -7.738 -0.917 456 2HD1 ILE 58 2HD1 ILE 58 1.988 -7.061 -2.193 457 3HD1 ILE 58 3HD1 ILE 58 1.450 -6.043 -0.837 458 H ILE 59 H ILE 59 0.666 -4.266 -5.928 459 HA ILE 59 HA ILE 59 -0.150 -1.548 -5.868 460 HB ILE 59 HB ILE 59 1.724 -3.191 -7.519 461 1HG1 ILE 59 2HG1 ILE 59 2.063 -0.579 -6.018 462 2HG1 ILE 59 3HG1 ILE 59 2.220 -2.183 -5.284 463 1HG2 ILE 59 1HG2 ILE 59 0.692 -1.865 -9.290 464 2HG2 ILE 59 2HG2 ILE 59 0.919 -0.383 -8.340 465 3HG2 ILE 59 3HG2 ILE 59 2.315 -1.283 -8.958 466 1HD1 ILE 59 1HD1 ILE 59 4.417 -1.390 -5.812 467 2HD1 ILE 59 2HD1 ILE 59 4.039 -2.728 -6.915 468 3HD1 ILE 59 3HD1 ILE 59 3.978 -1.042 -7.488 469 H HIS 60 H HIS 60 -1.150 -4.168 -8.112 470 HA HIS 60 HA HIS 60 -2.694 -2.496 -9.860 471 1HB HIS 60 2HB HIS 60 -3.221 -5.370 -8.997 472 2HB HIS 60 3HB HIS 60 -3.966 -4.542 -10.365 473 HD1 HIS 60 1HD HIS 60 -2.545 -7.135 -10.995 474 HD2 HIS 60 2HD HIS 60 -0.596 -3.407 -10.882 475 HE1 HIS 60 1HE HIS 60 -0.422 -7.376 -12.390 476 H THR 61 H THR 61 -3.515 -4.232 -6.818 477 HA THR 61 HA THR 61 -6.238 -3.423 -6.773 478 HB THR 61 HB THR 61 -4.437 -4.046 -4.391 479 HG1 THR 61 1HG THR 61 -4.491 -5.750 -5.844 480 1HG2 THR 61 1HG2 THR 61 -6.574 -4.659 -3.304 481 2HG2 THR 61 2HG2 THR 61 -6.580 -2.948 -3.737 482 3HG2 THR 61 3HG2 THR 61 -7.471 -4.120 -4.733 483 H ILE 62 H ILE 62 -3.380 -1.917 -5.092 484 HA ILE 62 HA ILE 62 -4.955 0.207 -4.058 485 HB ILE 62 HB ILE 62 -1.954 0.169 -4.515 486 1HG1 ILE 62 2HG1 ILE 62 -2.350 -1.705 -3.137 487 2HG1 ILE 62 3HG1 ILE 62 -1.947 -0.420 -2.023 488 1HG2 ILE 62 1HG2 ILE 62 -2.750 2.422 -4.067 489 2HG2 ILE 62 2HG2 ILE 62 -3.722 1.862 -2.692 490 3HG2 ILE 62 3HG2 ILE 62 -1.949 1.800 -2.621 491 1HD1 ILE 62 1HD1 ILE 62 -3.803 -1.740 -1.189 492 2HD1 ILE 62 2HD1 ILE 62 -4.401 -0.108 -1.556 493 3HD1 ILE 62 3HD1 ILE 62 -4.747 -1.486 -2.638 494 H GLU 63 H GLU 63 -3.240 -0.004 -7.224 495 HA GLU 63 HA GLU 63 -3.712 2.607 -8.091 496 1HB GLU 63 2HB GLU 63 -2.326 0.971 -9.184 497 2HB GLU 63 3HB GLU 63 -3.682 -0.095 -9.510 498 1HG GLU 63 2HG GLU 63 -3.524 2.728 -10.586 499 2HG GLU 63 3HG GLU 63 -2.806 1.311 -11.383 500 H SER 64 H SER 64 -5.708 -0.261 -8.846 501 HA SER 64 HA SER 64 -7.894 1.187 -9.799 502 1HB SER 64 2HB SER 64 -7.431 -1.140 -10.322 503 2HB SER 64 3HB SER 64 -7.861 -1.624 -8.664 504 HG SER 64 HG SER 64 -9.933 -0.351 -9.310 505 H LEU 65 H LEU 65 -7.113 0.472 -6.479 506 HA LEU 65 HA LEU 65 -9.677 0.877 -5.273 507 1HB LEU 65 2HB LEU 65 -7.561 -0.182 -4.303 508 2HB LEU 65 3HB LEU 65 -6.957 1.466 -4.099 509 HG LEU 65 HG LEU 65 -9.009 1.844 -2.603 510 1HD1 LEU 65 1HD1 LEU 65 -9.155 -1.207 -2.805 511 2HD1 LEU 65 2HD1 LEU 65 -10.071 -0.196 -1.675 512 3HD1 LEU 65 3HD1 LEU 65 -10.399 -0.106 -3.414 513 1HD2 LEU 65 1HD2 LEU 65 -6.736 1.419 -1.739 514 2HD2 LEU 65 2HD2 LEU 65 -7.944 0.590 -0.746 515 3HD2 LEU 65 3HD2 LEU 65 -6.985 -0.333 -1.906 516 H GLY 66 H GLY 66 -7.468 3.071 -6.778 517 1HA GLY 66 2HA GLY 66 -8.516 5.038 -7.630 518 2HA GLY 66 1HA GLY 66 -9.278 5.344 -6.062 519 H PHE 67 H PHE 67 -5.875 4.439 -6.957 520 HA PHE 67 HA PHE 67 -4.915 7.066 -6.008 521 1HB PHE 67 2HB PHE 67 -3.883 4.465 -4.809 522 2HB PHE 67 3HB PHE 67 -3.415 6.130 -4.408 523 HD1 PHE 67 1HD PHE 67 -4.796 7.582 -3.100 524 HD2 PHE 67 2HD PHE 67 -5.900 3.498 -3.792 525 HE1 PHE 67 1HE PHE 67 -6.799 7.880 -1.655 526 HE2 PHE 67 2HE PHE 67 -7.750 3.717 -2.153 527 HZ PHE 67 HZ PHE 67 -8.259 5.937 -1.156 528 H GLU 68 H GLU 68 -2.406 7.041 -6.201 529 HA GLU 68 HA GLU 68 -1.525 5.285 -8.447 530 1HB GLU 68 2HB GLU 68 -1.914 7.768 -8.895 531 2HB GLU 68 3HB GLU 68 -0.472 8.066 -7.917 532 1HG GLU 68 2HG GLU 68 -0.570 6.229 -10.368 533 2HG GLU 68 3HG GLU 68 -0.158 7.940 -10.447 534 HA PRO 69 HA PRO 69 0.995 4.208 -4.789 535 1HB PRO 69 2HB PRO 69 1.148 1.524 -5.140 536 2HB PRO 69 3HB PRO 69 -0.354 2.302 -4.593 537 1HG PRO 69 2HG PRO 69 0.362 1.565 -7.432 538 2HG PRO 69 3HG PRO 69 -1.112 1.109 -6.533 539 1HD PRO 69 2HD PRO 69 -1.039 3.221 -8.206 540 2HD PRO 69 3HD PRO 69 -1.944 3.344 -6.665 541 H SER 70 H SER 70 2.541 5.546 -6.001 542 HA SER 70 HA SER 70 4.412 4.267 -7.876 543 1HB SER 70 2HB SER 70 4.060 6.627 -7.984 544 2HB SER 70 3HB SER 70 4.519 6.848 -6.274 545 HG SER 70 HG SER 70 6.651 6.269 -6.821 546 H LEU 71 H LEU 71 6.594 3.727 -7.367 547 HA LEU 71 HA LEU 71 7.162 2.622 -4.746 548 1HB LEU 71 2HB LEU 71 8.202 1.680 -6.739 549 2HB LEU 71 3HB LEU 71 8.774 3.277 -7.247 550 HG LEU 71 HG LEU 71 10.236 3.403 -5.321 551 1HD1 LEU 71 1HD1 LEU 71 10.753 1.332 -3.995 552 2HD1 LEU 71 2HD1 LEU 71 9.086 1.846 -3.723 553 3HD1 LEU 71 3HD1 LEU 71 9.423 0.492 -4.815 554 1HD2 LEU 71 1HD2 LEU 71 11.080 2.577 -7.467 555 2HD2 LEU 71 2HD2 LEU 71 11.913 1.770 -6.127 556 3HD2 LEU 71 3HD2 LEU 71 10.639 0.914 -7.022 557 H VAL 72 H VAL 72 8.407 3.714 -3.131 558 HA VAL 72 HA VAL 72 8.068 6.512 -2.899 559 HB VAL 72 HB VAL 72 10.127 4.760 -1.469 560 1HG1 VAL 72 1HG1 VAL 72 8.869 7.427 -0.692 561 2HG1 VAL 72 2HG1 VAL 72 9.947 6.452 0.328 562 3HG1 VAL 72 3HG1 VAL 72 10.563 7.173 -1.159 563 1HG2 VAL 72 1HG2 VAL 72 7.235 5.367 -0.734 564 2HG2 VAL 72 2HG2 VAL 72 7.936 3.787 -1.125 565 3HG2 VAL 72 3HG2 VAL 72 8.441 4.642 0.339 566 H LYS 73 H LYS 73 11.005 4.644 -3.532 567 HA LYS 73 HA LYS 73 12.982 5.036 -4.447 568 1HB LYS 73 2HB LYS 73 11.925 5.901 -6.441 569 2HB LYS 73 3HB LYS 73 11.764 7.499 -5.696 570 1HG LYS 73 2HG LYS 73 13.528 7.511 -7.301 571 2HG LYS 73 3HG LYS 73 14.103 7.887 -5.682 572 1HD LYS 73 2HD LYS 73 15.074 5.601 -5.481 573 2HD LYS 73 3HD LYS 73 14.322 5.125 -7.006 574 1HE LYS 73 2HE LYS 73 16.792 5.653 -7.134 575 2HE LYS 73 3HE LYS 73 15.776 6.553 -8.276 576 1HZ LYS 73 1HZ LYS 73 17.438 7.939 -7.127 577 2HZ LYS 73 2HZ LYS 73 15.902 8.445 -6.966 578 3HZ LYS 73 3HZ LYS 73 16.629 7.726 -5.697 579 H ILE 74 H ILE 74 14.752 5.654 -3.459 580 HA ILE 74 HA ILE 74 14.728 7.668 -1.328 581 HB ILE 74 HB ILE 74 17.041 6.086 -2.519 582 1HG1 ILE 74 2HG1 ILE 74 15.468 4.482 -1.637 583 2HG1 ILE 74 3HG1 ILE 74 16.862 4.603 -0.572 584 1HG2 ILE 74 1HG2 ILE 74 16.802 7.700 0.052 585 2HG2 ILE 74 2HG2 ILE 74 18.152 6.615 -0.343 586 3HG2 ILE 74 3HG2 ILE 74 17.843 8.041 -1.340 587 1HD1 ILE 74 1HD1 ILE 74 14.120 5.849 -0.071 588 2HD1 ILE 74 2HD1 ILE 74 14.815 4.434 0.730 589 3HD1 ILE 74 3HD1 ILE 74 15.535 6.029 0.996 590 H GLU 75 H GLU 75 14.943 9.800 -1.759 591 HA GLU 75 HA GLU 75 16.843 11.016 -3.424 592 1HB GLU 75 2HB GLU 75 14.077 10.532 -4.499 593 2HB GLU 75 3HB GLU 75 14.564 12.225 -4.477 594 1HG GLU 75 2HG GLU 75 16.369 11.922 -5.916 595 2HG GLU 75 3HG GLU 75 16.459 10.186 -5.636
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