NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
554399 | 2m0y | 18832 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1HT MET 1 -7.323 16.361 11.521 2 H2 MET 1 2HT MET 1 -5.672 16.613 11.127 3 H3 MET 1 3HT MET 1 -6.549 15.337 10.386 4 HA MET 1 HA MET 1 -7.273 18.168 10.105 5 HB2 MET 1 2HB MET 1 -5.122 16.578 8.876 6 HB3 MET 1 1HB MET 1 -6.156 17.407 7.719 7 HG2 MET 1 2HG MET 1 -5.206 19.008 10.006 8 HG3 MET 1 1HG MET 1 -3.989 18.511 8.830 9 HE1 MET 1 2HE MET 1 -3.818 21.468 8.626 10 HE2 MET 1 3HE MET 1 -4.125 21.647 6.899 11 HE3 MET 1 1HE MET 1 -3.225 20.252 7.494 12 H THR 2 H THR 2 -7.137 15.048 8.372 13 HA THR 2 HA THR 2 -9.992 15.367 7.744 14 HB THR 2 HB THR 2 -9.452 14.311 5.494 15 HG1 THR 2 1HG THR 2 -7.292 13.687 6.128 16 HG21 THR 2 3HG2 THR 2 -9.729 16.868 6.040 17 HG22 THR 2 1HG2 THR 2 -9.224 16.313 4.444 18 HG23 THR 2 2HG2 THR 2 -8.024 16.908 5.592 19 H ARG 3 H ARG 3 -10.915 13.243 6.874 20 HA ARG 3 HA ARG 3 -9.877 11.058 8.546 21 HB2 ARG 3 2HB ARG 3 -12.221 10.110 8.216 22 HB3 ARG 3 1HB ARG 3 -12.081 11.545 9.221 23 HG2 ARG 3 2HG ARG 3 -12.829 12.939 7.388 24 HG3 ARG 3 1HG ARG 3 -12.894 11.534 6.322 25 HD2 ARG 3 2HD ARG 3 -14.913 10.962 7.071 26 HD3 ARG 3 1HD ARG 3 -14.397 11.084 8.751 27 HE ARG 3 HE ARG 3 -15.855 13.037 7.243 28 HH11 ARG 3 1HH1 ARG 3 -13.664 12.572 9.919 29 HH12 ARG 3 2HH1 ARG 3 -14.145 14.025 10.728 30 HH21 ARG 3 1HH2 ARG 3 -16.490 14.949 8.307 31 HH22 ARG 3 2HH2 ARG 3 -15.750 15.374 9.815 32 H TRP 4 H TRP 4 -8.969 9.374 7.584 33 HA TRP 4 HA TRP 4 -9.041 9.136 4.705 34 HB2 TRP 4 2HB TRP 4 -7.239 8.398 6.769 35 HB3 TRP 4 1HB TRP 4 -7.721 6.917 5.949 36 HD1 TRP 4 HD TRP 4 -7.488 10.107 3.904 37 HE1 TRP 4 1HE TRP 4 -5.491 9.929 2.289 38 HE3 TRP 4 3HE TRP 4 -5.400 5.847 5.714 39 HZ2 TRP 4 2HZ TRP 4 -3.306 8.188 1.850 40 HZ3 TRP 4 3HZ TRP 4 -3.356 4.971 4.655 41 HH2 TRP 4 HH TRP 4 -2.331 6.121 2.759 42 H VAL 5 H VAL 5 -9.433 7.011 3.668 43 HA VAL 5 HA VAL 5 -11.961 5.958 4.550 44 HB VAL 5 HB VAL 5 -10.319 4.885 2.266 45 HG11 VAL 5 1HG1 VAL 5 -12.115 3.480 2.475 46 HG12 VAL 5 2HG1 VAL 5 -12.795 4.701 1.399 47 HG13 VAL 5 3HG1 VAL 5 -13.165 4.740 3.123 48 HG21 VAL 5 3HG2 VAL 5 -10.341 7.073 1.597 49 HG22 VAL 5 1HG2 VAL 5 -11.821 7.444 2.482 50 HG23 VAL 5 2HG2 VAL 5 -11.901 6.548 0.965 51 HA PRO 6 HA PRO 6 -10.191 2.435 6.609 52 HB2 PRO 6 2HB PRO 6 -12.683 1.164 6.953 53 HB3 PRO 6 1HB PRO 6 -11.908 2.290 8.067 54 HG2 PRO 6 2HG PRO 6 -14.275 2.732 6.614 55 HG3 PRO 6 1HG PRO 6 -13.345 3.940 7.512 56 HD2 PRO 6 2HD PRO 6 -13.396 3.370 4.596 57 HD3 PRO 6 1HD PRO 6 -13.111 4.901 5.448 58 H THR 7 H THR 7 -10.845 2.377 3.536 59 HA THR 7 HA THR 7 -11.022 0.850 1.842 60 HB THR 7 HB THR 7 -8.725 0.531 2.315 61 HG1 THR 7 1HG THR 7 -9.524 -1.124 1.031 62 HG21 THR 7 3HG2 THR 7 -9.527 -1.251 4.600 63 HG22 THR 7 1HG2 THR 7 -8.740 0.322 4.713 64 HG23 THR 7 2HG2 THR 7 -7.884 -1.043 3.997 65 H LYS 8 H LYS 8 -13.185 0.249 1.936 66 HA LYS 8 HA LYS 8 -13.782 -2.228 3.405 67 HB2 LYS 8 2HB LYS 8 -16.129 -1.611 3.234 68 HB3 LYS 8 1HB LYS 8 -15.207 -0.300 3.958 69 HG2 LYS 8 2HG LYS 8 -15.101 0.526 1.447 70 HG3 LYS 8 1HG LYS 8 -16.577 -0.436 1.333 71 HD2 LYS 8 2HD LYS 8 -17.702 0.884 2.891 72 HD3 LYS 8 1HD LYS 8 -16.205 1.549 3.546 73 HE2 LYS 8 2HE LYS 8 -16.988 2.072 0.704 74 HE3 LYS 8 1HE LYS 8 -17.688 3.023 2.014 75 HZ1 LYS 8 3HZ LYS 8 -15.108 3.155 2.637 76 HZ2 LYS 8 1HZ LYS 8 -15.881 4.289 1.646 77 HZ3 LYS 8 2HZ LYS 8 -14.983 3.033 0.955 78 H ARG 9 H ARG 9 -15.377 -3.690 2.305 79 HA ARG 9 HA ARG 9 -15.883 -5.106 0.599 80 HB2 ARG 9 2HB ARG 9 -15.575 -2.560 -0.996 81 HB3 ARG 9 1HB ARG 9 -16.179 -4.068 -1.670 82 HG2 ARG 9 2HG ARG 9 -17.678 -3.561 0.662 83 HG3 ARG 9 1HG ARG 9 -17.585 -2.044 -0.235 84 HD2 ARG 9 2HD ARG 9 -18.640 -4.700 -1.171 85 HD3 ARG 9 1HD ARG 9 -19.507 -3.170 -1.031 86 HE ARG 9 HE ARG 9 -17.841 -4.030 -3.210 87 HH11 ARG 9 1HH1 ARG 9 -19.187 -1.269 -1.554 88 HH12 ARG 9 2HH1 ARG 9 -19.077 -0.229 -2.934 89 HH21 ARG 9 1HH2 ARG 9 -17.694 -2.663 -5.027 90 HH22 ARG 9 2HH2 ARG 9 -18.231 -1.021 -4.906 91 H GLU 10 H GLU 10 -13.156 -4.915 1.451 92 HA GLU 10 HA GLU 10 -11.700 -5.444 -1.052 93 HB2 GLU 10 2HB GLU 10 -11.008 -3.848 1.105 94 HB3 GLU 10 1HB GLU 10 -10.081 -5.316 1.373 95 HG2 GLU 10 2HG GLU 10 -8.702 -3.868 0.132 96 HG3 GLU 10 1HG GLU 10 -9.262 -5.105 -0.993 97 H GLU 11 H GLU 11 -10.072 -7.198 -0.956 98 HA GLU 11 HA GLU 11 -11.272 -9.567 0.195 99 HB2 GLU 11 2HB GLU 11 -10.086 -9.212 -2.156 100 HB3 GLU 11 1HB GLU 11 -8.658 -9.661 -1.234 101 HG2 GLU 11 2HG GLU 11 -9.213 -11.757 -1.718 102 HG3 GLU 11 1HG GLU 11 -10.459 -11.576 -0.485 103 H LYS 12 H LYS 12 -7.900 -8.404 0.122 104 HA LYS 12 HA LYS 12 -7.561 -8.475 2.926 105 HB2 LYS 12 2HB LYS 12 -7.489 -11.008 1.730 106 HB3 LYS 12 1HB LYS 12 -5.805 -10.586 2.008 107 HG2 LYS 12 2HG LYS 12 -6.438 -10.054 4.381 108 HG3 LYS 12 1HG LYS 12 -8.014 -10.769 4.036 109 HD2 LYS 12 2HD LYS 12 -6.921 -12.878 3.433 110 HD3 LYS 12 1HD LYS 12 -5.347 -12.161 3.787 111 HE2 LYS 12 2HE LYS 12 -5.623 -12.336 6.020 112 HE3 LYS 12 1HE LYS 12 -7.345 -11.962 5.940 113 HZ1 LYS 12 3HZ LYS 12 -6.524 -14.529 4.841 114 HZ2 LYS 12 1HZ LYS 12 -7.898 -14.126 5.743 115 HZ3 LYS 12 2HZ LYS 12 -6.415 -14.369 6.520 116 H TYR 13 H TYR 13 -5.401 -9.567 0.313 117 HA TYR 13 HA TYR 13 -3.928 -7.046 0.514 118 HB2 TYR 13 2HB TYR 13 -1.775 -8.419 0.471 119 HB3 TYR 13 1HB TYR 13 -2.654 -8.371 1.997 120 HD1 TYR 13 1HD TYR 13 -2.186 -10.457 -1.054 121 HD2 TYR 13 2HD TYR 13 -3.248 -10.357 3.064 122 HE1 TYR 13 1HE TYR 13 -2.236 -12.916 -1.013 123 HE2 TYR 13 2HE TYR 13 -3.300 -12.815 3.117 124 HH TYR 13 HH TYR 13 -1.904 -14.730 1.129 125 H GLY 14 H GLY 14 -2.004 -7.204 -1.190 126 HA2 GLY 14 2HA GLY 14 -2.845 -8.634 -3.594 127 HA3 GLY 14 1HA GLY 14 -2.832 -6.880 -3.677 128 H VAL 15 H VAL 15 -1.244 -6.888 -5.292 129 HA VAL 15 HA VAL 15 1.459 -7.447 -4.276 130 HB VAL 15 HB VAL 15 0.573 -7.988 -7.112 131 HG11 VAL 15 1HG1 VAL 15 3.164 -8.637 -5.711 132 HG12 VAL 15 2HG1 VAL 15 2.929 -7.312 -6.851 133 HG13 VAL 15 3HG1 VAL 15 2.763 -8.984 -7.393 134 HG21 VAL 15 3HG2 VAL 15 0.614 -10.306 -6.631 135 HG22 VAL 15 1HG2 VAL 15 -0.356 -9.555 -5.364 136 HG23 VAL 15 2HG2 VAL 15 1.309 -10.034 -5.032 137 H ALA 16 H ALA 16 3.093 -6.082 -5.007 138 HA ALA 16 HA ALA 16 2.183 -3.674 -6.448 139 HB1 ALA 16 1HB ALA 16 4.308 -2.802 -4.960 140 HB2 ALA 16 2HB ALA 16 3.534 -3.952 -3.870 141 HB3 ALA 16 3HB ALA 16 2.610 -2.601 -4.527 142 H PHE 17 H PHE 17 3.106 -3.636 -8.408 143 HA PHE 17 HA PHE 17 5.824 -4.723 -8.678 144 HB2 PHE 17 2HB PHE 17 5.285 -4.782 -11.142 145 HB3 PHE 17 1HB PHE 17 4.333 -5.871 -10.139 146 HD1 PHE 17 2HD PHE 17 1.980 -5.281 -9.584 147 HD2 PHE 17 1HD PHE 17 4.271 -3.069 -12.407 148 HE1 PHE 17 2HE PHE 17 -0.088 -4.312 -10.499 149 HE2 PHE 17 1HE PHE 17 2.207 -2.096 -13.326 150 HZ PHE 17 HZ PHE 17 0.023 -2.718 -12.373 151 H TYR 18 H TYR 18 7.009 -2.944 -8.063 152 HA TYR 18 HA TYR 18 7.395 -0.958 -10.090 153 HB2 TYR 18 2HB TYR 18 5.475 -0.298 -8.257 154 HB3 TYR 18 1HB TYR 18 6.916 0.401 -7.528 155 HD1 TYR 18 1HD TYR 18 4.904 0.345 -10.650 156 HD2 TYR 18 2HD TYR 18 7.795 2.428 -8.325 157 HE1 TYR 18 1HE TYR 18 4.721 2.275 -12.162 158 HE2 TYR 18 2HE TYR 18 7.621 4.364 -9.831 159 HH TYR 18 HH TYR 18 6.106 4.220 -12.842 160 H ASN 19 H ASN 19 9.013 0.776 -9.149 161 HA ASN 19 HA ASN 19 11.026 -0.684 -7.566 162 HB2 ASN 19 2HB ASN 19 11.359 1.200 -9.902 163 HB3 ASN 19 1HB ASN 19 12.687 0.820 -8.809 164 HD21 ASN 19 1HD2 ASN 19 10.303 -0.642 -10.960 165 HD22 ASN 19 2HD2 ASN 19 11.274 -1.999 -11.406 166 H TYR 20 H TYR 20 9.266 0.601 -6.084 167 HA TYR 20 HA TYR 20 9.958 3.358 -5.637 168 HB2 TYR 20 2HB TYR 20 7.668 2.234 -5.263 169 HB3 TYR 20 1HB TYR 20 8.355 1.647 -3.752 170 HD1 TYR 20 1HD TYR 20 9.611 3.621 -2.380 171 HD2 TYR 20 2HD TYR 20 6.406 4.151 -5.127 172 HE1 TYR 20 1HE TYR 20 9.036 5.749 -1.290 173 HE2 TYR 20 2HE TYR 20 5.821 6.281 -4.043 174 HH TYR 20 HH TYR 20 6.116 7.417 -1.936 175 H ASP 21 H ASP 21 11.299 4.200 -4.164 176 HA ASP 21 HA ASP 21 12.534 2.387 -2.203 177 HB2 ASP 21 2HB ASP 21 14.110 2.781 -4.040 178 HB3 ASP 21 1HB ASP 21 13.946 4.520 -3.823 179 H ALA 22 H ALA 22 11.203 3.148 -0.568 180 HA ALA 22 HA ALA 22 10.767 5.884 -0.003 181 HB1 ALA 22 1HB ALA 22 9.235 4.217 0.812 182 HB2 ALA 22 2HB ALA 22 9.941 5.070 2.186 183 HB3 ALA 22 3HB ALA 22 10.509 3.454 1.763 184 H ARG 23 H ARG 23 11.820 7.312 1.274 185 HA ARG 23 HA ARG 23 14.326 6.393 2.524 186 HB2 ARG 23 2HB ARG 23 13.674 9.026 1.198 187 HB3 ARG 23 1HB ARG 23 15.115 8.764 2.172 188 HG2 ARG 23 2HG ARG 23 15.876 7.051 0.634 189 HG3 ARG 23 1HG ARG 23 14.404 7.234 -0.322 190 HD2 ARG 23 2HD ARG 23 15.709 8.621 -1.538 191 HD3 ARG 23 1HD ARG 23 15.246 9.782 -0.295 192 HE ARG 23 HE ARG 23 17.513 8.536 0.649 193 HH11 ARG 23 1HH1 ARG 23 16.656 10.442 -2.146 194 HH12 ARG 23 2HH1 ARG 23 18.245 11.104 -2.337 195 HH21 ARG 23 1HH2 ARG 23 19.602 9.406 0.401 196 HH22 ARG 23 2HH2 ARG 23 19.918 10.516 -0.891 197 H GLY 24 H GLY 24 11.645 6.507 3.714 198 HA2 GLY 24 2HA GLY 24 12.378 7.866 6.141 199 HA3 GLY 24 1HA GLY 24 11.053 8.648 5.292 200 H ALA 25 H ALA 25 10.577 7.756 7.786 201 HA ALA 25 HA ALA 25 9.610 5.082 7.897 202 HB1 ALA 25 1HB ALA 25 10.190 6.012 9.963 203 HB2 ALA 25 2HB ALA 25 8.427 5.966 9.987 204 HB3 ALA 25 3HB ALA 25 9.266 7.484 9.662 205 H ASP 26 H ASP 26 8.224 8.138 6.948 206 HA ASP 26 HA ASP 26 5.497 7.387 7.115 207 HB2 ASP 26 2HB ASP 26 6.976 9.549 5.639 208 HB3 ASP 26 1HB ASP 26 5.247 9.309 5.400 209 H GLU 27 H GLU 27 7.931 7.117 4.587 210 HA GLU 27 HA GLU 27 5.976 6.002 2.730 211 HB2 GLU 27 2HB GLU 27 8.826 6.903 2.487 212 HB3 GLU 27 1HB GLU 27 8.123 5.857 1.261 213 HG2 GLU 27 2HG GLU 27 7.578 7.804 0.295 214 HG3 GLU 27 1HG GLU 27 6.213 7.736 1.409 215 H LEU 28 H LEU 28 7.145 4.119 1.346 216 HA LEU 28 HA LEU 28 8.454 2.194 3.085 217 HB2 LEU 28 2HB LEU 28 5.674 2.147 2.775 218 HB3 LEU 28 1HB LEU 28 6.267 0.881 1.718 219 HG LEU 28 HG LEU 28 6.840 1.117 4.673 220 HD11 LEU 28 1HD1 LEU 28 5.216 -0.424 5.071 221 HD12 LEU 28 2HD1 LEU 28 5.368 -1.161 3.477 222 HD13 LEU 28 3HD1 LEU 28 4.505 0.366 3.664 223 HD21 LEU 28 3HD2 LEU 28 7.804 -0.757 2.548 224 HD22 LEU 28 1HD2 LEU 28 7.666 -1.288 4.224 225 HD23 LEU 28 2HD2 LEU 28 8.720 0.065 3.811 226 H SER 29 H SER 29 9.864 0.961 1.990 227 HA SER 29 HA SER 29 10.278 1.437 -0.793 228 HB2 SER 29 2HB SER 29 12.137 1.010 0.794 229 HB3 SER 29 1HB SER 29 11.563 -0.647 0.989 230 HG SER 29 HG SER 29 12.428 0.543 -1.441 231 H LEU 30 H LEU 30 9.287 0.468 -2.426 232 HA LEU 30 HA LEU 30 8.221 -2.246 -2.005 233 HB2 LEU 30 2HB LEU 30 6.973 0.183 -3.097 234 HB3 LEU 30 1HB LEU 30 6.708 -1.266 -4.049 235 HG LEU 30 HG LEU 30 6.031 -0.948 -1.123 236 HD11 LEU 30 1HD1 LEU 30 4.671 0.275 -2.979 237 HD12 LEU 30 2HD1 LEU 30 3.833 -0.617 -1.711 238 HD13 LEU 30 3HD1 LEU 30 4.038 -1.338 -3.307 239 HD21 LEU 30 3HD2 LEU 30 5.611 -3.139 -1.017 240 HD22 LEU 30 1HD2 LEU 30 6.596 -3.275 -2.474 241 HD23 LEU 30 2HD2 LEU 30 4.841 -3.157 -2.603 242 H GLN 31 H GLN 31 8.648 -3.769 -3.508 243 HA GLN 31 HA GLN 31 10.060 -2.938 -5.950 244 HB2 GLN 31 2HB GLN 31 10.838 -5.067 -3.971 245 HB3 GLN 31 1HB GLN 31 11.384 -5.128 -5.642 246 HG2 GLN 31 2HG GLN 31 12.930 -3.564 -5.309 247 HG3 GLN 31 1HG GLN 31 11.822 -2.534 -4.404 248 HE21 GLN 31 1HE2 GLN 31 14.537 -2.918 -3.775 249 HE22 GLN 31 2HE2 GLN 31 14.627 -3.696 -2.235 250 H ILE 32 H ILE 32 9.964 -4.506 -7.698 251 HA ILE 32 HA ILE 32 7.352 -5.542 -8.044 252 HB ILE 32 HB ILE 32 9.799 -6.146 -9.706 253 HG12 ILE 32 2HG1 ILE 32 7.782 -4.079 -10.463 254 HG13 ILE 32 1HG1 ILE 32 8.983 -3.661 -9.245 255 HG21 ILE 32 1HG2 ILE 32 8.328 -7.591 -10.620 256 HG22 ILE 32 2HG2 ILE 32 7.724 -6.141 -11.424 257 HG23 ILE 32 3HG2 ILE 32 6.925 -6.741 -9.970 258 HD11 ILE 32 3HD1 ILE 32 10.767 -4.026 -10.764 259 HD12 ILE 32 1HD1 ILE 32 9.568 -3.026 -11.586 260 HD13 ILE 32 2HD1 ILE 32 9.685 -4.746 -11.956 261 H GLY 33 H GLY 33 6.528 -7.539 -7.819 262 HA2 GLY 33 2HA GLY 33 6.628 -9.902 -7.696 263 HA3 GLY 33 1HA GLY 33 8.337 -9.786 -7.307 264 H ASP 34 H ASP 34 7.017 -7.505 -5.415 265 HA ASP 34 HA ASP 34 6.918 -9.316 -3.126 266 HB2 ASP 34 2HB ASP 34 7.260 -6.338 -3.410 267 HB3 ASP 34 1HB ASP 34 6.896 -7.074 -1.853 268 H THR 35 H THR 35 5.232 -9.280 -1.603 269 HA THR 35 HA THR 35 2.661 -8.383 -2.710 270 HB THR 35 HB THR 35 3.194 -10.416 -0.532 271 HG1 THR 35 1HG THR 35 2.700 -11.931 -2.127 272 HG21 THR 35 3HG2 THR 35 0.895 -9.153 -0.756 273 HG22 THR 35 1HG2 THR 35 0.975 -10.883 -0.421 274 HG23 THR 35 2HG2 THR 35 0.657 -10.317 -2.060 275 H VAL 36 H VAL 36 1.321 -7.041 -1.562 276 HA VAL 36 HA VAL 36 2.288 -6.121 1.062 277 HB VAL 36 HB VAL 36 1.567 -3.827 0.481 278 HG11 VAL 36 1HG1 VAL 36 3.443 -3.404 -1.190 279 HG12 VAL 36 2HG1 VAL 36 3.712 -5.147 -1.157 280 HG13 VAL 36 3HG1 VAL 36 3.880 -4.201 0.321 281 HG21 VAL 36 3HG2 VAL 36 1.551 -3.641 -2.217 282 HG22 VAL 36 1HG2 VAL 36 0.097 -3.742 -1.224 283 HG23 VAL 36 2HG2 VAL 36 0.742 -5.192 -1.993 284 H HIS 37 H HIS 37 0.786 -5.789 2.609 285 HA HIS 37 HA HIS 37 -1.979 -6.495 1.934 286 HB2 HIS 37 2HB HIS 37 -0.942 -7.847 3.688 287 HB3 HIS 37 1HB HIS 37 -0.569 -6.395 4.611 288 HD1 HIS 37 1HD HIS 37 -2.943 -9.026 4.513 289 HD2 HIS 37 2HD HIS 37 -3.169 -4.936 5.213 290 HE1 HIS 37 1HE HIS 37 -5.116 -8.671 5.727 291 HE2 HIS 37 2HE HIS 37 -5.206 -6.196 6.191 292 H ILE 38 H ILE 38 -3.172 -4.768 1.455 293 HA ILE 38 HA ILE 38 -2.607 -2.158 2.494 294 HB ILE 38 HB ILE 38 -5.072 -3.038 0.994 295 HG12 ILE 38 2HG1 ILE 38 -2.963 -1.647 -0.502 296 HG13 ILE 38 1HG1 ILE 38 -2.491 -3.246 0.063 297 HG21 ILE 38 1HG2 ILE 38 -4.953 -0.606 0.239 298 HG22 ILE 38 2HG2 ILE 38 -3.816 -0.373 1.568 299 HG23 ILE 38 3HG2 ILE 38 -5.462 -0.911 1.900 300 HD11 ILE 38 3HD1 ILE 38 -3.862 -2.690 -2.239 301 HD12 ILE 38 1HD1 ILE 38 -5.138 -3.205 -1.135 302 HD13 ILE 38 2HD1 ILE 38 -3.762 -4.263 -1.449 303 H LEU 39 H LEU 39 -3.412 -1.193 4.235 304 HA LEU 39 HA LEU 39 -5.642 -2.499 5.649 305 HB2 LEU 39 2HB LEU 39 -4.756 -1.633 7.709 306 HB3 LEU 39 1HB LEU 39 -3.489 -2.500 6.863 307 HG LEU 39 HG LEU 39 -2.961 -0.026 5.974 308 HD11 LEU 39 1HD1 LEU 39 -3.742 1.660 7.207 309 HD12 LEU 39 2HD1 LEU 39 -3.457 0.801 8.721 310 HD13 LEU 39 3HD1 LEU 39 -4.937 0.510 7.807 311 HD21 LEU 39 3HD2 LEU 39 -2.009 -0.762 8.711 312 HD22 LEU 39 1HD2 LEU 39 -1.111 -0.066 7.362 313 HD23 LEU 39 2HD2 LEU 39 -1.587 -1.764 7.324 314 H GLU 40 H GLU 40 -4.382 0.488 4.373 315 HA GLU 40 HA GLU 40 -6.966 1.772 4.938 316 HB2 GLU 40 2HB GLU 40 -4.206 2.794 5.439 317 HB3 GLU 40 1HB GLU 40 -5.444 3.938 4.940 318 HG2 GLU 40 2HG GLU 40 -5.999 2.074 7.196 319 HG3 GLU 40 1HG GLU 40 -4.989 3.493 7.465 320 H THR 41 H THR 41 -7.372 3.663 3.461 321 HA THR 41 HA THR 41 -5.924 3.698 0.967 322 HB THR 41 HB THR 41 -7.371 1.762 0.614 323 HG1 THR 41 1HG THR 41 -8.415 2.536 -1.259 324 HG21 THR 41 3HG2 THR 41 -9.762 3.549 0.870 325 HG22 THR 41 1HG2 THR 41 -9.184 2.548 2.201 326 HG23 THR 41 2HG2 THR 41 -9.706 1.796 0.695 327 H TYR 42 H TYR 42 -6.936 5.269 -0.601 328 HA TYR 42 HA TYR 42 -8.907 7.102 0.217 329 HB2 TYR 42 2HB TYR 42 -6.972 7.618 1.823 330 HB3 TYR 42 1HB TYR 42 -6.146 8.283 0.418 331 HD1 TYR 42 1HD TYR 42 -9.298 8.581 2.378 332 HD2 TYR 42 2HD TYR 42 -6.529 10.491 -0.226 333 HE1 TYR 42 1HE TYR 42 -10.472 10.716 2.706 334 HE2 TYR 42 2HE TYR 42 -7.695 12.632 0.095 335 HH TYR 42 HH TYR 42 -9.171 13.686 1.810 336 H GLU 43 H GLU 43 -8.101 5.665 -2.142 337 HA GLU 43 HA GLU 43 -8.057 5.970 -4.395 338 HB2 GLU 43 2HB GLU 43 -9.617 7.962 -3.564 339 HB3 GLU 43 1HB GLU 43 -8.280 8.931 -4.168 340 HG2 GLU 43 2HG GLU 43 -9.799 8.769 -5.943 341 HG3 GLU 43 1HG GLU 43 -8.496 7.648 -6.332 342 H GLY 44 H GLY 44 -6.031 5.459 -4.992 343 HA2 GLY 44 2HA GLY 44 -3.879 5.761 -5.744 344 HA3 GLY 44 1HA GLY 44 -4.275 7.466 -5.905 345 H TRP 45 H TRP 45 -4.332 5.577 -2.939 346 HA TRP 45 HA TRP 45 -1.815 6.261 -1.950 347 HB2 TRP 45 2HB TRP 45 -3.355 8.499 -2.069 348 HB3 TRP 45 1HB TRP 45 -3.743 7.925 -0.458 349 HD1 TRP 45 HD TRP 45 -2.566 10.354 0.169 350 HE1 TRP 45 1HE TRP 45 -0.121 10.864 0.759 351 HE3 TRP 45 3HE TRP 45 -0.318 6.188 -1.832 352 HZ2 TRP 45 2HZ TRP 45 2.405 9.688 0.432 353 HZ3 TRP 45 3HZ TRP 45 2.119 5.980 -1.644 354 HH2 TRP 45 HH TRP 45 3.453 7.691 -0.534 355 H TYR 46 H TYR 46 -1.920 4.149 -1.172 356 HA TYR 46 HA TYR 46 -3.859 3.714 1.011 357 HB2 TYR 46 2HB TYR 46 -2.577 1.482 -0.547 358 HB3 TYR 46 1HB TYR 46 -4.022 1.430 0.455 359 HD1 TYR 46 2HD TYR 46 -5.258 4.005 -0.772 360 HD2 TYR 46 1HD TYR 46 -3.575 0.489 -2.474 361 HE1 TYR 46 2HE TYR 46 -6.654 4.313 -2.770 362 HE2 TYR 46 1HE TYR 46 -4.966 0.786 -4.477 363 HH TYR 46 HH TYR 46 -6.170 2.502 -5.647 364 H ARG 47 H ARG 47 -3.154 2.298 2.736 365 HA ARG 47 HA ARG 47 -0.236 2.348 3.142 366 HB2 ARG 47 2HB ARG 47 -1.686 3.995 4.513 367 HB3 ARG 47 1HB ARG 47 -2.208 2.569 5.401 368 HG2 ARG 47 2HG ARG 47 -0.073 2.175 6.254 369 HG3 ARG 47 1HG ARG 47 0.695 3.214 5.054 370 HD2 ARG 47 2HD ARG 47 -0.932 4.995 6.244 371 HD3 ARG 47 1HD ARG 47 -0.630 3.905 7.597 372 HE ARG 47 HE ARG 47 1.783 4.620 6.268 373 HH11 ARG 47 1HH1 ARG 47 -0.593 5.787 8.542 374 HH12 ARG 47 2HH1 ARG 47 0.513 6.855 9.340 375 HH21 ARG 47 1HH2 ARG 47 3.239 6.022 7.316 376 HH22 ARG 47 2HH2 ARG 47 2.688 6.989 8.643 377 H GLY 48 H GLY 48 0.660 0.622 4.349 378 HA2 GLY 48 2HA GLY 48 -0.765 -1.470 5.525 379 HA3 GLY 48 1HA GLY 48 -0.526 -1.893 3.837 380 H TYR 49 H TYR 49 0.771 -3.668 4.432 381 HA TYR 49 HA TYR 49 3.553 -2.963 4.796 382 HB2 TYR 49 2HB TYR 49 3.795 -4.670 6.670 383 HB3 TYR 49 1HB TYR 49 3.038 -3.141 7.100 384 HD1 TYR 49 1HD TYR 49 0.584 -3.038 7.464 385 HD2 TYR 49 2HD TYR 49 2.598 -6.729 6.812 386 HE1 TYR 49 1HE TYR 49 -1.361 -4.249 8.356 387 HE2 TYR 49 2HE TYR 49 0.657 -7.951 7.701 388 HH TYR 49 HH TYR 49 -1.260 -7.508 9.218 389 H THR 50 H THR 50 4.968 -4.519 4.035 390 HA THR 50 HA THR 50 3.908 -6.355 2.143 391 HB THR 50 HB THR 50 6.485 -7.124 2.329 392 HG1 THR 50 1HG THR 50 7.733 -5.389 2.965 393 HG21 THR 50 3HG2 THR 50 5.389 -6.093 0.356 394 HG22 THR 50 1HG2 THR 50 7.052 -5.565 0.618 395 HG23 THR 50 2HG2 THR 50 5.711 -4.511 1.065 396 H LEU 51 H LEU 51 3.981 -8.616 2.132 397 HA LEU 51 HA LEU 51 3.258 -9.899 4.497 398 HB2 LEU 51 2HB LEU 51 4.060 -10.799 1.778 399 HB3 LEU 51 1HB LEU 51 4.021 -11.999 3.055 400 HG LEU 51 HG LEU 51 1.931 -11.917 1.737 401 HD11 LEU 51 1HD1 LEU 51 0.400 -11.851 3.650 402 HD12 LEU 51 2HD1 LEU 51 1.661 -11.094 4.624 403 HD13 LEU 51 3HD1 LEU 51 1.880 -12.736 4.020 404 HD21 LEU 51 3HD2 LEU 51 1.567 -9.190 2.970 405 HD22 LEU 51 1HD2 LEU 51 0.435 -10.038 1.916 406 HD23 LEU 51 2HD2 LEU 51 1.985 -9.485 1.282 407 H ARG 52 H ARG 52 6.393 -9.357 3.079 408 HA ARG 52 HA ARG 52 7.730 -11.241 4.817 409 HB2 ARG 52 2HB ARG 52 8.649 -9.274 2.740 410 HB3 ARG 52 1HB ARG 52 9.803 -10.049 3.817 411 HG2 ARG 52 2HG ARG 52 7.860 -11.682 2.233 412 HG3 ARG 52 1HG ARG 52 9.355 -11.090 1.506 413 HD2 ARG 52 2HD ARG 52 9.785 -12.301 4.114 414 HD3 ARG 52 1HD ARG 52 9.049 -13.416 2.966 415 HE ARG 52 HE ARG 52 11.731 -12.433 2.928 416 HH11 ARG 52 1HH1 ARG 52 9.124 -13.576 0.911 417 HH12 ARG 52 2HH1 ARG 52 10.172 -14.106 -0.360 418 HH21 ARG 52 1HH2 ARG 52 13.113 -13.130 1.257 419 HH22 ARG 52 2HH2 ARG 52 12.437 -13.853 -0.164 420 H LYS 53 H LYS 53 7.061 -7.815 4.712 421 HA LYS 53 HA LYS 53 8.509 -7.489 7.258 422 HB2 LYS 53 2HB LYS 53 8.293 -5.761 4.863 423 HB3 LYS 53 1HB LYS 53 8.220 -4.942 6.416 424 HG2 LYS 53 2HG LYS 53 10.368 -5.668 7.024 425 HG3 LYS 53 1HG LYS 53 10.410 -6.876 5.737 426 HD2 LYS 53 2HD LYS 53 11.773 -5.131 4.962 427 HD3 LYS 53 1HD LYS 53 10.239 -4.907 4.120 428 HE2 LYS 53 2HE LYS 53 10.403 -3.517 6.690 429 HE3 LYS 53 1HE LYS 53 11.587 -2.970 5.503 430 HZ1 LYS 53 3HZ LYS 53 8.645 -3.090 5.119 431 HZ2 LYS 53 1HZ LYS 53 9.758 -2.641 3.927 432 HZ3 LYS 53 2HZ LYS 53 9.574 -1.690 5.313 433 H LYS 54 H LYS 54 6.558 -8.280 8.304 434 HA LYS 54 HA LYS 54 4.130 -6.761 8.107 435 HB2 LYS 54 2HB LYS 54 5.070 -9.138 9.594 436 HB3 LYS 54 1HB LYS 54 3.810 -8.197 10.382 437 HG2 LYS 54 2HG LYS 54 2.245 -8.978 9.014 438 HG3 LYS 54 1HG LYS 54 3.222 -8.647 7.584 439 HD2 LYS 54 2HD LYS 54 3.893 -10.779 7.419 440 HD3 LYS 54 1HD LYS 54 4.199 -10.907 9.152 441 HE2 LYS 54 2HE LYS 54 1.931 -11.417 9.607 442 HE3 LYS 54 1HE LYS 54 1.430 -10.960 7.979 443 HZ1 LYS 54 3HZ LYS 54 1.873 -13.472 8.738 444 HZ2 LYS 54 1HZ LYS 54 3.405 -13.080 8.137 445 HZ3 LYS 54 2HZ LYS 54 2.045 -12.938 7.142 446 H SER 55 H SER 55 6.954 -6.752 10.154 447 HA SER 55 HA SER 55 5.872 -5.215 12.275 448 HB2 SER 55 2HB SER 55 8.672 -5.812 11.350 449 HB3 SER 55 1HB SER 55 8.374 -4.686 12.675 450 HG SER 55 HG SER 55 7.474 -7.376 12.565 451 H LYS 56 H LYS 56 7.267 -4.410 9.178 452 HA LYS 56 HA LYS 56 7.364 -1.573 9.828 453 HB2 LYS 56 2HB LYS 56 8.933 -3.126 8.227 454 HB3 LYS 56 1HB LYS 56 7.852 -2.403 7.044 455 HG2 LYS 56 2HG LYS 56 9.849 -1.071 7.268 456 HG3 LYS 56 1HG LYS 56 8.455 -0.173 7.876 457 HD2 LYS 56 2HD LYS 56 9.339 -1.466 10.122 458 HD3 LYS 56 1HD LYS 56 10.847 -1.115 9.276 459 HE2 LYS 56 2HE LYS 56 8.927 1.105 9.345 460 HE3 LYS 56 1HE LYS 56 9.546 0.617 10.923 461 HZ1 LYS 56 3HZ LYS 56 11.711 1.123 10.317 462 HZ2 LYS 56 1HZ LYS 56 10.828 2.373 9.596 463 HZ3 LYS 56 2HZ LYS 56 11.382 1.079 8.659 464 H LYS 57 H LYS 57 6.125 0.003 8.822 465 HA LYS 57 HA LYS 57 3.925 -0.895 7.105 466 HB2 LYS 57 2HB LYS 57 3.072 -0.815 9.418 467 HB3 LYS 57 1HB LYS 57 3.576 0.865 9.540 468 HG2 LYS 57 2HG LYS 57 2.030 0.988 7.336 469 HG3 LYS 57 1HG LYS 57 1.236 -0.320 8.214 470 HD2 LYS 57 2HD LYS 57 1.957 2.030 9.832 471 HD3 LYS 57 1HD LYS 57 0.721 2.308 8.605 472 HE2 LYS 57 2HE LYS 57 -0.126 1.615 10.875 473 HE3 LYS 57 1HE LYS 57 -0.691 0.643 9.517 474 HZ1 LYS 57 3HZ LYS 57 0.654 -1.124 10.118 475 HZ2 LYS 57 1HZ LYS 57 0.136 -0.541 11.619 476 HZ3 LYS 57 2HZ LYS 57 1.689 -0.172 11.058 477 H GLY 58 H GLY 58 3.207 0.618 5.618 478 HA2 GLY 58 2HA GLY 58 4.001 3.368 5.724 479 HA3 GLY 58 1HA GLY 58 4.972 2.449 4.584 480 H ILE 59 H ILE 59 3.757 4.346 3.368 481 HA ILE 59 HA ILE 59 1.231 3.263 2.307 482 HB ILE 59 HB ILE 59 0.919 5.630 1.405 483 HG12 ILE 59 2HG1 ILE 59 3.068 6.173 3.469 484 HG13 ILE 59 1HG1 ILE 59 3.222 6.404 1.730 485 HG21 ILE 59 1HG2 ILE 59 0.062 6.450 3.589 486 HG22 ILE 59 2HG2 ILE 59 0.870 5.091 4.370 487 HG23 ILE 59 3HG2 ILE 59 -0.426 4.797 3.210 488 HD11 ILE 59 3HD1 ILE 59 1.828 8.048 3.751 489 HD12 ILE 59 1HD1 ILE 59 1.111 7.954 2.143 490 HD13 ILE 59 2HD1 ILE 59 2.766 8.533 2.338 491 H PHE 60 H PHE 60 0.825 3.649 -0.003 492 HA PHE 60 HA PHE 60 3.089 4.163 -1.710 493 HB2 PHE 60 2HB PHE 60 2.895 1.933 -2.867 494 HB3 PHE 60 1HB PHE 60 3.590 1.871 -1.251 495 HD1 PHE 60 2HD PHE 60 0.259 1.618 -2.917 496 HD2 PHE 60 1HD PHE 60 2.837 0.241 0.176 497 HE1 PHE 60 2HE PHE 60 -1.425 -0.051 -2.260 498 HE2 PHE 60 1HE PHE 60 1.159 -1.433 0.833 499 HZ PHE 60 HZ PHE 60 -0.975 -1.578 -0.390 500 HA PRO 61 HA PRO 61 -0.168 5.480 -4.386 501 HB2 PRO 61 2HB PRO 61 1.511 4.901 -6.714 502 HB3 PRO 61 1HB PRO 61 0.976 6.459 -6.083 503 HG2 PRO 61 2HG PRO 61 3.546 5.644 -5.933 504 HG3 PRO 61 1HG PRO 61 2.800 6.676 -4.699 505 HD2 PRO 61 2HD PRO 61 3.321 3.726 -4.642 506 HD3 PRO 61 1HD PRO 61 3.531 4.933 -3.356 507 H ALA 62 H ALA 62 -1.896 4.539 -5.290 508 HA ALA 62 HA ALA 62 -1.988 1.720 -5.665 509 HB1 ALA 62 1HB ALA 62 -3.866 3.345 -4.960 510 HB2 ALA 62 2HB ALA 62 -4.269 1.973 -5.992 511 HB3 ALA 62 3HB ALA 62 -4.092 3.582 -6.693 512 H SER 63 H SER 63 -0.912 4.193 -7.677 513 HA SER 63 HA SER 63 -1.817 3.592 -10.197 514 HB2 SER 63 2HB SER 63 1.067 4.277 -9.646 515 HB3 SER 63 1HB SER 63 0.087 4.720 -11.045 516 HG SER 63 HG SER 63 0.305 5.934 -8.603 517 H TYR 64 H TYR 64 0.323 1.703 -8.217 518 HA TYR 64 HA TYR 64 0.560 -0.223 -10.428 519 HB2 TYR 64 2HB TYR 64 2.848 -0.766 -9.699 520 HB3 TYR 64 1HB TYR 64 2.706 0.911 -10.214 521 HD1 TYR 64 2HD TYR 64 3.106 -1.317 -7.311 522 HD2 TYR 64 1HD TYR 64 3.038 2.716 -8.666 523 HE1 TYR 64 2HE TYR 64 4.056 -0.586 -5.165 524 HE2 TYR 64 1HE TYR 64 3.989 3.458 -6.524 525 HH TYR 64 HH TYR 64 5.253 2.591 -4.670 526 H ILE 65 H ILE 65 -1.260 -0.075 -8.093 527 HA ILE 65 HA ILE 65 -0.391 -2.482 -6.640 528 HB ILE 65 HB ILE 65 -2.557 -0.532 -5.853 529 HG12 ILE 65 2HG1 ILE 65 -0.382 0.546 -5.739 530 HG13 ILE 65 1HG1 ILE 65 -0.950 0.195 -4.110 531 HG21 ILE 65 1HG2 ILE 65 -2.596 -1.681 -3.743 532 HG22 ILE 65 2HG2 ILE 65 -1.261 -2.723 -4.239 533 HG23 ILE 65 3HG2 ILE 65 -2.830 -2.861 -5.034 534 HD11 ILE 65 3HD1 ILE 65 1.434 -0.273 -4.397 535 HD12 ILE 65 1HD1 ILE 65 1.040 -1.458 -5.642 536 HD13 ILE 65 2HD1 ILE 65 0.515 -1.719 -3.979 537 H HIS 66 H HIS 66 -1.526 -4.327 -6.746 538 HA HIS 66 HA HIS 66 -4.165 -4.298 -8.028 539 HB2 HIS 66 2HB HIS 66 -2.181 -4.939 -9.589 540 HB3 HIS 66 1HB HIS 66 -2.185 -6.456 -8.696 541 HD1 HIS 66 1HD HIS 66 -3.223 -5.464 -11.774 542 HD2 HIS 66 2HD HIS 66 -5.313 -7.160 -8.608 543 HE1 HIS 66 1HE HIS 66 -5.260 -6.517 -12.802 544 HE2 HIS 66 2HE HIS 66 -6.468 -7.609 -10.878 545 H LEU 67 H LEU 67 -5.515 -5.082 -6.553 546 HA LEU 67 HA LEU 67 -4.669 -6.755 -4.404 547 HB2 LEU 67 2HB LEU 67 -7.294 -5.679 -5.347 548 HB3 LEU 67 1HB LEU 67 -7.270 -6.954 -4.144 549 HG LEU 67 HG LEU 67 -5.931 -4.264 -3.854 550 HD11 LEU 67 1HD1 LEU 67 -8.526 -5.368 -2.828 551 HD12 LEU 67 2HD1 LEU 67 -8.239 -3.871 -3.715 552 HD13 LEU 67 3HD1 LEU 67 -7.700 -4.024 -2.043 553 HD21 LEU 67 3HD2 LEU 67 -6.105 -6.676 -2.077 554 HD22 LEU 67 1HD2 LEU 67 -5.822 -5.061 -1.429 555 HD23 LEU 67 2HD2 LEU 67 -4.677 -5.766 -2.569 556 H LYS 68 H LYS 68 -4.905 -8.917 -4.094 557 HA LYS 68 HA LYS 68 -5.875 -10.472 -6.401 558 HB2 LYS 68 2HB LYS 68 -3.830 -11.319 -4.342 559 HB3 LYS 68 1HB LYS 68 -4.308 -12.218 -5.775 560 HG2 LYS 68 2HG LYS 68 -3.343 -9.510 -6.324 561 HG3 LYS 68 1HG LYS 68 -2.144 -10.583 -5.601 562 HD2 LYS 68 2HD LYS 68 -3.129 -12.250 -7.435 563 HD3 LYS 68 1HD LYS 68 -3.477 -10.722 -8.247 564 HE2 LYS 68 2HE LYS 68 -1.109 -10.078 -7.972 565 HE3 LYS 68 1HE LYS 68 -0.787 -11.653 -7.248 566 HZ1 LYS 68 3HZ LYS 68 -1.846 -12.497 -9.461 567 HZ2 LYS 68 1HZ LYS 68 -0.218 -12.032 -9.413 568 HZ3 LYS 68 2HZ LYS 68 -1.381 -10.977 -10.040 569 H GLU 69 H GLU 69 -6.283 -12.887 -5.532 570 HA GLU 69 HA GLU 69 -8.315 -12.574 -3.440 571 HB2 GLU 69 2HB GLU 69 -8.737 -13.544 -5.845 572 HB3 GLU 69 1HB GLU 69 -8.079 -15.020 -5.151 573 HG2 GLU 69 2HG GLU 69 -9.891 -15.385 -3.856 574 HG3 GLU 69 1HG GLU 69 -10.192 -13.667 -3.599 575 H ALA 70 H ALA 70 -5.761 -12.669 -2.473 576 HA ALA 70 HA ALA 70 -4.462 -13.712 -0.923 577 HB1 ALA 70 1HB ALA 70 -6.988 -15.318 -0.667 578 HB2 ALA 70 2HB ALA 70 -6.365 -14.063 0.404 579 HB3 ALA 70 3HB ALA 70 -5.570 -15.635 0.332 580 H ILE 71 H ILE 71 -3.128 -15.594 -0.546 581 HA ILE 71 HA ILE 71 -3.086 -17.448 -2.838 582 HB ILE 71 HB ILE 71 -0.598 -17.566 -2.471 583 HG12 ILE 71 2HG1 ILE 71 -0.611 -14.894 -1.213 584 HG13 ILE 71 1HG1 ILE 71 -1.102 -16.218 -0.161 585 HG21 ILE 71 1HG2 ILE 71 -2.118 -15.306 -3.592 586 HG22 ILE 71 2HG2 ILE 71 -0.952 -16.385 -4.358 587 HG23 ILE 71 3HG2 ILE 71 -0.389 -15.037 -3.371 588 HD11 ILE 71 3HD1 ILE 71 1.507 -15.426 -0.905 589 HD12 ILE 71 1HD1 ILE 71 1.217 -17.034 -1.568 590 HD13 ILE 71 2HD1 ILE 71 1.016 -16.744 0.160 591 H VAL 72 H VAL 72 -1.742 -19.458 -2.327 592 HA VAL 72 HA VAL 72 -2.089 -20.300 0.466 593 HB VAL 72 HB VAL 72 -2.794 -22.570 -0.435 594 HG11 VAL 72 1HG1 VAL 72 -4.941 -22.037 0.002 595 HG12 VAL 72 2HG1 VAL 72 -4.962 -20.713 -1.163 596 HG13 VAL 72 3HG1 VAL 72 -4.247 -20.473 0.431 597 HG21 VAL 72 3HG2 VAL 72 -3.916 -21.271 -2.829 598 HG22 VAL 72 1HG2 VAL 72 -3.293 -22.906 -2.610 599 HG23 VAL 72 2HG2 VAL 72 -2.176 -21.564 -2.860 600 H GLU 73 H GLU 73 -0.401 -21.390 1.278 601 HA GLU 73 HA GLU 73 1.942 -21.738 -0.346 602 HB2 GLU 73 2HB GLU 73 1.272 -21.872 2.525 603 HB3 GLU 73 1HB GLU 73 2.574 -22.938 2.013 604 HG2 GLU 73 2HG GLU 73 2.532 -20.011 1.352 605 HG3 GLU 73 1HG GLU 73 3.232 -20.643 2.842 606 H GLY 74 H GLY 74 2.752 -23.564 -1.212 607 HA2 GLY 74 2HA GLY 74 2.998 -26.034 -0.882 608 HA3 GLY 74 1HA GLY 74 1.251 -26.060 -0.709 Start of MODEL 2 1 H1 MET 1 1HT MET 1 -8.251 19.393 10.533 2 H2 MET 1 2HT MET 1 -9.625 18.994 9.586 3 H3 MET 1 3HT MET 1 -8.047 18.711 8.973 4 HA MET 1 HA MET 1 -7.648 16.997 10.425 5 HB2 MET 1 2HB MET 1 -9.298 18.524 12.108 6 HB3 MET 1 1HB MET 1 -10.125 16.984 11.926 7 HG2 MET 1 2HG MET 1 -8.071 15.824 12.615 8 HG3 MET 1 1HG MET 1 -7.292 17.387 12.857 9 HE1 MET 1 2HE MET 1 -7.250 15.305 15.140 10 HE2 MET 1 3HE MET 1 -8.761 14.550 14.633 11 HE3 MET 1 1HE MET 1 -8.628 15.264 16.240 12 H THR 2 H THR 2 -7.972 15.853 8.517 13 HA THR 2 HA THR 2 -10.690 14.772 8.154 14 HB THR 2 HB THR 2 -9.676 14.395 5.711 15 HG1 THR 2 1HG THR 2 -8.298 15.991 5.128 16 HG21 THR 2 3HG2 THR 2 -10.833 16.296 4.921 17 HG22 THR 2 1HG2 THR 2 -10.686 17.115 6.476 18 HG23 THR 2 2HG2 THR 2 -11.727 15.700 6.319 19 H ARG 3 H ARG 3 -10.520 12.855 9.193 20 HA ARG 3 HA ARG 3 -8.225 11.220 9.231 21 HB2 ARG 3 2HB ARG 3 -11.106 10.402 9.655 22 HB3 ARG 3 1HB ARG 3 -9.687 9.498 10.164 23 HG2 ARG 3 2HG ARG 3 -9.079 11.530 11.560 24 HG3 ARG 3 1HG ARG 3 -10.715 12.104 11.236 25 HD2 ARG 3 2HD ARG 3 -10.926 9.405 12.044 26 HD3 ARG 3 1HD ARG 3 -9.826 10.198 13.170 27 HE ARG 3 HE ARG 3 -11.587 11.411 13.990 28 HH11 ARG 3 1HH1 ARG 3 -12.533 9.931 10.974 29 HH12 ARG 3 2HH1 ARG 3 -14.200 10.369 11.137 30 HH21 ARG 3 1HH2 ARG 3 -13.780 11.989 14.208 31 HH22 ARG 3 2HH2 ARG 3 -14.908 11.537 12.972 32 H TRP 4 H TRP 4 -7.887 9.163 8.233 33 HA TRP 4 HA TRP 4 -8.563 9.168 5.446 34 HB2 TRP 4 2HB TRP 4 -6.597 7.929 7.131 35 HB3 TRP 4 1HB TRP 4 -7.359 6.707 6.121 36 HD1 TRP 4 HD TRP 4 -7.198 10.025 4.412 37 HE1 TRP 4 1HE TRP 4 -5.323 10.015 2.651 38 HE3 TRP 4 3HE TRP 4 -4.887 5.723 5.772 39 HZ2 TRP 4 2HZ TRP 4 -3.131 8.367 1.939 40 HZ3 TRP 4 3HZ TRP 4 -2.901 4.976 4.515 41 HH2 TRP 4 HH TRP 4 -2.044 6.280 2.633 42 H VAL 5 H VAL 5 -8.861 6.545 4.759 43 HA VAL 5 HA VAL 5 -11.317 5.693 6.141 44 HB VAL 5 HB VAL 5 -10.986 5.556 3.149 45 HG11 VAL 5 1HG1 VAL 5 -12.554 3.961 4.011 46 HG12 VAL 5 2HG1 VAL 5 -13.454 5.263 3.234 47 HG13 VAL 5 3HG1 VAL 5 -13.343 5.196 4.992 48 HG21 VAL 5 3HG2 VAL 5 -12.278 7.523 2.898 49 HG22 VAL 5 1HG2 VAL 5 -11.009 7.920 4.058 50 HG23 VAL 5 2HG2 VAL 5 -12.647 7.589 4.621 51 HA PRO 6 HA PRO 6 -9.402 1.698 6.322 52 HB2 PRO 6 2HB PRO 6 -12.139 0.604 6.029 53 HB3 PRO 6 1HB PRO 6 -10.964 0.360 7.325 54 HG2 PRO 6 2HG PRO 6 -13.117 1.895 7.688 55 HG3 PRO 6 1HG PRO 6 -11.554 2.317 8.409 56 HD2 PRO 6 2HD PRO 6 -12.901 3.459 5.995 57 HD3 PRO 6 1HD PRO 6 -11.967 4.282 7.262 58 H THR 7 H THR 7 -9.698 -0.531 5.157 59 HA THR 7 HA THR 7 -10.182 -0.011 2.296 60 HB THR 7 HB THR 7 -8.296 -1.311 1.699 61 HG1 THR 7 1HG THR 7 -8.069 -2.046 4.428 62 HG21 THR 7 3HG2 THR 7 -7.909 0.816 3.592 63 HG22 THR 7 1HG2 THR 7 -6.969 0.394 2.162 64 HG23 THR 7 2HG2 THR 7 -6.618 -0.379 3.707 65 H LYS 8 H LYS 8 -11.763 -1.194 1.480 66 HA LYS 8 HA LYS 8 -12.256 -3.870 2.610 67 HB2 LYS 8 2HB LYS 8 -14.315 -1.865 1.670 68 HB3 LYS 8 1HB LYS 8 -14.668 -3.517 2.155 69 HG2 LYS 8 2HG LYS 8 -13.871 -3.036 4.408 70 HG3 LYS 8 1HG LYS 8 -13.496 -1.380 3.925 71 HD2 LYS 8 2HD LYS 8 -15.591 -1.271 5.008 72 HD3 LYS 8 1HD LYS 8 -15.940 -1.165 3.281 73 HE2 LYS 8 2HE LYS 8 -17.162 -3.027 3.334 74 HE3 LYS 8 1HE LYS 8 -15.900 -3.911 4.189 75 HZ1 LYS 8 3HZ LYS 8 -18.020 -3.738 5.424 76 HZ2 LYS 8 1HZ LYS 8 -17.812 -2.061 5.504 77 HZ3 LYS 8 2HZ LYS 8 -16.704 -3.089 6.264 78 H ARG 9 H ARG 9 -13.711 -5.173 1.035 79 HA ARG 9 HA ARG 9 -13.880 -6.262 -0.955 80 HB2 ARG 9 2HB ARG 9 -13.504 -3.434 -1.928 81 HB3 ARG 9 1HB ARG 9 -13.767 -4.778 -3.030 82 HG2 ARG 9 2HG ARG 9 -15.953 -4.936 -2.533 83 HG3 ARG 9 1HG ARG 9 -15.701 -4.561 -0.827 84 HD2 ARG 9 2HD ARG 9 -15.135 -2.309 -2.589 85 HD3 ARG 9 1HD ARG 9 -16.799 -2.880 -2.714 86 HE ARG 9 HE ARG 9 -15.587 -1.540 -0.478 87 HH11 ARG 9 1HH1 ARG 9 -18.158 -3.674 -1.487 88 HH12 ARG 9 2HH1 ARG 9 -19.174 -3.291 -0.137 89 HH21 ARG 9 1HH2 ARG 9 -16.921 -1.036 1.297 90 HH22 ARG 9 2HH2 ARG 9 -18.472 -1.793 1.442 91 H GLU 10 H GLU 10 -11.281 -6.027 0.367 92 HA GLU 10 HA GLU 10 -9.506 -6.301 -1.967 93 HB2 GLU 10 2HB GLU 10 -7.641 -5.852 -0.381 94 HB3 GLU 10 1HB GLU 10 -8.756 -4.506 -0.558 95 HG2 GLU 10 2HG GLU 10 -9.002 -4.449 1.634 96 HG3 GLU 10 1HG GLU 10 -9.708 -6.063 1.582 97 H GLU 11 H GLU 11 -11.115 -8.036 0.401 98 HA GLU 11 HA GLU 11 -11.094 -10.239 0.966 99 HB2 GLU 11 2HB GLU 11 -10.289 -10.380 -1.525 100 HB3 GLU 11 1HB GLU 11 -8.733 -10.765 -0.800 101 HG2 GLU 11 2HG GLU 11 -10.691 -12.360 0.475 102 HG3 GLU 11 1HG GLU 11 -10.956 -12.467 -1.264 103 H LYS 12 H LYS 12 -7.652 -9.527 0.332 104 HA LYS 12 HA LYS 12 -7.086 -9.665 3.178 105 HB2 LYS 12 2HB LYS 12 -6.795 -11.953 1.586 106 HB3 LYS 12 1HB LYS 12 -5.165 -11.323 1.782 107 HG2 LYS 12 2HG LYS 12 -5.464 -11.329 4.215 108 HG3 LYS 12 1HG LYS 12 -7.087 -11.990 4.003 109 HD2 LYS 12 2HD LYS 12 -6.255 -14.024 3.144 110 HD3 LYS 12 1HD LYS 12 -4.640 -13.352 2.907 111 HE2 LYS 12 2HE LYS 12 -4.056 -13.648 5.070 112 HE3 LYS 12 1HE LYS 12 -5.671 -13.272 5.667 113 HZ1 LYS 12 3HZ LYS 12 -6.300 -15.420 5.582 114 HZ2 LYS 12 1HZ LYS 12 -4.638 -15.711 5.707 115 HZ3 LYS 12 2HZ LYS 12 -5.394 -15.765 4.195 116 H TYR 13 H TYR 13 -5.156 -9.960 0.193 117 HA TYR 13 HA TYR 13 -4.087 -7.291 0.569 118 HB2 TYR 13 2HB TYR 13 -1.706 -8.249 0.416 119 HB3 TYR 13 1HB TYR 13 -2.529 -8.356 1.969 120 HD1 TYR 13 2HD TYR 13 -2.254 -10.398 -1.159 121 HD2 TYR 13 1HD TYR 13 -2.270 -10.343 3.095 122 HE1 TYR 13 2HE TYR 13 -1.868 -12.827 -1.132 123 HE2 TYR 13 1HE TYR 13 -1.884 -12.771 3.135 124 HH TYR 13 HH TYR 13 -0.902 -14.504 1.607 125 H GLY 14 H GLY 14 -2.174 -7.049 -1.161 126 HA2 GLY 14 2HA GLY 14 -2.976 -8.422 -3.638 127 HA3 GLY 14 1HA GLY 14 -2.938 -6.667 -3.595 128 H VAL 15 H VAL 15 -1.425 -7.030 -5.415 129 HA VAL 15 HA VAL 15 1.307 -7.507 -4.409 130 HB VAL 15 HB VAL 15 0.322 -7.983 -7.225 131 HG11 VAL 15 1HG1 VAL 15 2.604 -9.235 -7.259 132 HG12 VAL 15 2HG1 VAL 15 2.999 -8.171 -5.909 133 HG13 VAL 15 3HG1 VAL 15 2.565 -7.486 -7.474 134 HG21 VAL 15 3HG2 VAL 15 -0.456 -9.574 -5.362 135 HG22 VAL 15 1HG2 VAL 15 1.224 -10.108 -5.313 136 HG23 VAL 15 2HG2 VAL 15 0.287 -10.275 -6.799 137 H ALA 16 H ALA 16 2.953 -6.155 -5.158 138 HA ALA 16 HA ALA 16 2.063 -3.725 -6.568 139 HB1 ALA 16 1HB ALA 16 3.396 -4.009 -3.963 140 HB2 ALA 16 2HB ALA 16 2.391 -2.703 -4.590 141 HB3 ALA 16 3HB ALA 16 4.096 -2.795 -5.034 142 H PHE 17 H PHE 17 3.089 -3.562 -8.463 143 HA PHE 17 HA PHE 17 5.800 -4.686 -8.673 144 HB2 PHE 17 2HB PHE 17 5.384 -4.785 -11.118 145 HB3 PHE 17 1HB PHE 17 4.251 -5.762 -10.192 146 HD1 PHE 17 2HD PHE 17 1.941 -4.824 -9.752 147 HD2 PHE 17 1HD PHE 17 4.631 -3.125 -12.576 148 HE1 PHE 17 2HE PHE 17 0.060 -3.683 -10.850 149 HE2 PHE 17 1HE PHE 17 2.756 -1.980 -13.681 150 HZ PHE 17 HZ PHE 17 0.466 -2.258 -12.817 151 H TYR 18 H TYR 18 6.970 -2.930 -7.978 152 HA TYR 18 HA TYR 18 7.426 -0.888 -9.936 153 HB2 TYR 18 2HB TYR 18 5.461 -0.284 -8.110 154 HB3 TYR 18 1HB TYR 18 6.892 0.420 -7.367 155 HD1 TYR 18 1HD TYR 18 4.705 0.489 -10.332 156 HD2 TYR 18 2HD TYR 18 7.948 2.354 -8.304 157 HE1 TYR 18 1HE TYR 18 4.514 2.433 -11.825 158 HE2 TYR 18 2HE TYR 18 7.763 4.304 -9.791 159 HH TYR 18 HH TYR 18 5.358 5.178 -11.390 160 H ASN 19 H ASN 19 9.084 0.753 -9.017 161 HA ASN 19 HA ASN 19 11.011 -0.742 -7.363 162 HB2 ASN 19 2HB ASN 19 11.526 1.287 -9.551 163 HB3 ASN 19 1HB ASN 19 12.774 0.574 -8.534 164 HD21 ASN 19 1HD2 ASN 19 11.494 0.423 -11.481 165 HD22 ASN 19 2HD2 ASN 19 11.765 -1.240 -11.864 166 H TYR 20 H TYR 20 9.169 0.603 -5.979 167 HA TYR 20 HA TYR 20 9.911 3.321 -5.445 168 HB2 TYR 20 2HB TYR 20 7.593 2.422 -5.180 169 HB3 TYR 20 1HB TYR 20 8.155 1.494 -3.794 170 HD1 TYR 20 1HD TYR 20 9.365 2.934 -1.929 171 HD2 TYR 20 2HD TYR 20 6.647 4.493 -4.807 172 HE1 TYR 20 1HE TYR 20 8.924 4.857 -0.462 173 HE2 TYR 20 2HE TYR 20 6.197 6.421 -3.348 174 HH TYR 20 HH TYR 20 6.457 6.696 -0.530 175 H ASP 21 H ASP 21 11.093 4.148 -3.798 176 HA ASP 21 HA ASP 21 12.254 2.295 -1.841 177 HB2 ASP 21 2HB ASP 21 13.869 2.689 -3.715 178 HB3 ASP 21 1HB ASP 21 13.852 4.402 -3.308 179 H ALA 22 H ALA 22 11.305 3.028 -0.029 180 HA ALA 22 HA ALA 22 10.508 5.657 0.481 181 HB1 ALA 22 1HB ALA 22 11.119 3.382 2.355 182 HB2 ALA 22 2HB ALA 22 9.543 3.896 1.753 183 HB3 ALA 22 3HB ALA 22 10.432 4.919 2.881 184 H ARG 23 H ARG 23 11.463 7.398 1.386 185 HA ARG 23 HA ARG 23 14.360 7.302 1.696 186 HB2 ARG 23 2HB ARG 23 12.518 9.698 1.770 187 HB3 ARG 23 1HB ARG 23 14.272 9.726 1.649 188 HG2 ARG 23 2HG ARG 23 14.264 9.033 -0.554 189 HG3 ARG 23 1HG ARG 23 12.653 8.327 -0.434 190 HD2 ARG 23 2HD ARG 23 13.035 11.271 -0.079 191 HD3 ARG 23 1HD ARG 23 12.987 10.575 -1.699 192 HE ARG 23 HE ARG 23 10.774 9.560 -0.510 193 HH11 ARG 23 1HH1 ARG 23 12.011 12.800 -0.911 194 HH12 ARG 23 2HH1 ARG 23 10.440 13.529 -0.940 195 HH21 ARG 23 1HH2 ARG 23 8.709 10.519 -0.548 196 HH22 ARG 23 2HH2 ARG 23 8.566 12.235 -0.732 197 H GLY 24 H GLY 24 11.495 7.471 3.608 198 HA2 GLY 24 2HA GLY 24 13.173 7.855 6.005 199 HA3 GLY 24 1HA GLY 24 11.622 8.665 5.843 200 H ALA 25 H ALA 25 11.782 7.283 8.035 201 HA ALA 25 HA ALA 25 11.142 4.516 7.805 202 HB1 ALA 25 1HB ALA 25 12.190 5.391 9.811 203 HB2 ALA 25 2HB ALA 25 10.639 4.652 10.204 204 HB3 ALA 25 3HB ALA 25 10.784 6.408 10.125 205 H ASP 26 H ASP 26 9.283 7.467 7.878 206 HA ASP 26 HA ASP 26 6.775 6.442 8.567 207 HB2 ASP 26 2HB ASP 26 7.570 8.901 8.221 208 HB3 ASP 26 1HB ASP 26 7.071 8.648 6.552 209 H GLU 27 H GLU 27 8.492 6.486 5.506 210 HA GLU 27 HA GLU 27 6.191 5.338 4.119 211 HB2 GLU 27 2HB GLU 27 8.538 6.858 3.340 212 HB3 GLU 27 1HB GLU 27 8.347 5.421 2.344 213 HG2 GLU 27 2HG GLU 27 7.250 7.337 1.343 214 HG3 GLU 27 1HG GLU 27 6.080 6.095 1.780 215 H LEU 28 H LEU 28 7.232 3.684 2.295 216 HA LEU 28 HA LEU 28 8.974 1.747 3.571 217 HB2 LEU 28 2HB LEU 28 6.617 1.277 4.343 218 HB3 LEU 28 1HB LEU 28 6.222 0.908 2.675 219 HG LEU 28 HG LEU 28 8.541 -0.559 3.723 220 HD11 LEU 28 1HD1 LEU 28 7.552 -1.817 5.335 221 HD12 LEU 28 2HD1 LEU 28 5.933 -1.605 4.666 222 HD13 LEU 28 3HD1 LEU 28 6.680 -0.307 5.597 223 HD21 LEU 28 3HD2 LEU 28 6.764 -2.369 2.764 224 HD22 LEU 28 1HD2 LEU 28 7.948 -1.513 1.779 225 HD23 LEU 28 2HD2 LEU 28 6.290 -0.921 1.875 226 H SER 29 H SER 29 10.294 0.911 2.098 227 HA SER 29 HA SER 29 10.122 1.598 -0.631 228 HB2 SER 29 2HB SER 29 11.850 -0.334 0.904 229 HB3 SER 29 1HB SER 29 11.984 -0.169 -0.847 230 HG SER 29 HG SER 29 13.433 1.197 0.346 231 H LEU 30 H LEU 30 9.124 0.671 -2.288 232 HA LEU 30 HA LEU 30 7.942 -1.993 -1.882 233 HB2 LEU 30 2HB LEU 30 6.759 0.417 -2.655 234 HB3 LEU 30 1HB LEU 30 6.869 -0.519 -4.133 235 HG LEU 30 HG LEU 30 4.733 -0.949 -3.182 236 HD11 LEU 30 1HD1 LEU 30 5.845 -2.899 -4.124 237 HD12 LEU 30 2HD1 LEU 30 4.821 -3.357 -2.763 238 HD13 LEU 30 3HD1 LEU 30 6.568 -3.258 -2.557 239 HD21 LEU 30 3HD2 LEU 30 4.641 -0.418 -0.987 240 HD22 LEU 30 1HD2 LEU 30 6.260 -1.035 -0.655 241 HD23 LEU 30 2HD2 LEU 30 4.901 -2.151 -0.792 242 H GLN 31 H GLN 31 8.409 -3.616 -3.259 243 HA GLN 31 HA GLN 31 9.994 -2.972 -5.656 244 HB2 GLN 31 2HB GLN 31 10.525 -5.006 -3.517 245 HB3 GLN 31 1HB GLN 31 11.099 -5.280 -5.156 246 HG2 GLN 31 2HG GLN 31 12.796 -3.878 -4.897 247 HG3 GLN 31 1HG GLN 31 11.758 -2.625 -4.221 248 HE21 GLN 31 1HE2 GLN 31 10.852 -3.638 -1.939 249 HE22 GLN 31 2HE2 GLN 31 12.146 -4.009 -0.856 250 H ILE 32 H ILE 32 9.878 -4.547 -7.370 251 HA ILE 32 HA ILE 32 7.235 -5.485 -7.806 252 HB ILE 32 HB ILE 32 9.709 -6.189 -9.387 253 HG12 ILE 32 2HG1 ILE 32 7.799 -4.006 -10.145 254 HG13 ILE 32 1HG1 ILE 32 9.071 -3.673 -8.975 255 HG21 ILE 32 1HG2 ILE 32 7.626 -7.544 -9.763 256 HG22 ILE 32 2HG2 ILE 32 8.239 -6.698 -11.185 257 HG23 ILE 32 3HG2 ILE 32 6.846 -6.059 -10.312 258 HD11 ILE 32 3HD1 ILE 32 9.345 -3.354 -11.624 259 HD12 ILE 32 1HD1 ILE 32 9.935 -5.008 -11.449 260 HD13 ILE 32 2HD1 ILE 32 10.687 -3.700 -10.534 261 H GLY 33 H GLY 33 6.412 -7.551 -7.877 262 HA2 GLY 33 2HA GLY 33 6.410 -9.877 -7.637 263 HA3 GLY 33 1HA GLY 33 8.116 -9.811 -7.223 264 H ASP 34 H ASP 34 6.842 -7.495 -5.353 265 HA ASP 34 HA ASP 34 6.654 -9.293 -3.059 266 HB2 ASP 34 2HB ASP 34 7.082 -6.326 -3.350 267 HB3 ASP 34 1HB ASP 34 6.685 -7.051 -1.795 268 H THR 35 H THR 35 4.903 -9.353 -1.670 269 HA THR 35 HA THR 35 2.403 -8.314 -2.797 270 HB THR 35 HB THR 35 2.853 -10.410 -0.662 271 HG1 THR 35 1HG THR 35 2.104 -10.650 -3.386 272 HG21 THR 35 3HG2 THR 35 0.592 -10.859 -0.622 273 HG22 THR 35 1HG2 THR 35 0.293 -10.016 -2.142 274 HG23 THR 35 2HG2 THR 35 0.633 -9.096 -0.677 275 H VAL 36 H VAL 36 1.285 -6.739 -1.828 276 HA VAL 36 HA VAL 36 2.179 -5.874 0.844 277 HB VAL 36 HB VAL 36 1.198 -3.628 0.162 278 HG11 VAL 36 1HG1 VAL 36 3.228 -3.107 -1.305 279 HG12 VAL 36 2HG1 VAL 36 3.654 -4.806 -1.100 280 HG13 VAL 36 3HG1 VAL 36 3.531 -3.752 0.308 281 HG21 VAL 36 3HG2 VAL 36 1.004 -3.167 -2.214 282 HG22 VAL 36 1HG2 VAL 36 -0.101 -4.462 -1.753 283 HG23 VAL 36 2HG2 VAL 36 1.402 -4.844 -2.592 284 H HIS 37 H HIS 37 0.705 -5.527 2.427 285 HA HIS 37 HA HIS 37 -2.034 -6.401 1.874 286 HB2 HIS 37 2HB HIS 37 -0.837 -7.544 3.696 287 HB3 HIS 37 1HB HIS 37 -0.604 -6.002 4.514 288 HD1 HIS 37 1HD HIS 37 -2.905 -8.803 4.270 289 HD2 HIS 37 2HD HIS 37 -3.144 -4.803 5.371 290 HE1 HIS 37 1HE HIS 37 -5.057 -8.588 5.554 291 HE2 HIS 37 2HE HIS 37 -5.143 -6.174 6.276 292 H ILE 38 H ILE 38 -3.339 -4.785 1.311 293 HA ILE 38 HA ILE 38 -2.925 -2.070 1.902 294 HB ILE 38 HB ILE 38 -5.685 -3.105 1.389 295 HG12 ILE 38 2HG1 ILE 38 -4.461 -4.410 -0.189 296 HG13 ILE 38 1HG1 ILE 38 -5.117 -3.041 -1.078 297 HG21 ILE 38 1HG2 ILE 38 -4.938 -0.640 1.703 298 HG22 ILE 38 2HG2 ILE 38 -6.070 -1.052 0.416 299 HG23 ILE 38 3HG2 ILE 38 -4.366 -0.792 0.041 300 HD11 ILE 38 3HD1 ILE 38 -2.745 -3.683 -1.602 301 HD12 ILE 38 1HD1 ILE 38 -2.318 -3.082 -0.001 302 HD13 ILE 38 2HD1 ILE 38 -3.014 -1.989 -1.196 303 H LEU 39 H LEU 39 -2.836 -1.342 3.938 304 HA LEU 39 HA LEU 39 -4.725 -2.351 5.923 305 HB2 LEU 39 2HB LEU 39 -2.431 -2.265 6.634 306 HB3 LEU 39 1HB LEU 39 -2.292 -0.586 6.152 307 HG LEU 39 HG LEU 39 -4.344 -1.219 8.197 308 HD11 LEU 39 1HD1 LEU 39 -2.904 -1.561 9.962 309 HD12 LEU 39 2HD1 LEU 39 -1.514 -0.910 9.094 310 HD13 LEU 39 3HD1 LEU 39 -2.140 -2.508 8.686 311 HD21 LEU 39 3HD2 LEU 39 -2.392 1.007 7.672 312 HD22 LEU 39 1HD2 LEU 39 -3.381 0.921 9.129 313 HD23 LEU 39 2HD2 LEU 39 -4.149 1.048 7.547 314 H GLU 40 H GLU 40 -3.969 0.523 4.096 315 HA GLU 40 HA GLU 40 -6.489 1.709 4.958 316 HB2 GLU 40 2HB GLU 40 -3.979 2.609 5.939 317 HB3 GLU 40 1HB GLU 40 -4.567 3.826 4.814 318 HG2 GLU 40 2HG GLU 40 -5.249 4.273 7.121 319 HG3 GLU 40 1HG GLU 40 -6.628 4.030 6.050 320 H THR 41 H THR 41 -7.458 2.980 3.399 321 HA THR 41 HA THR 41 -5.956 3.604 0.973 322 HB THR 41 HB THR 41 -6.872 1.421 0.484 323 HG1 THR 41 1HG THR 41 -7.975 1.957 -1.351 324 HG21 THR 41 3HG2 THR 41 -9.683 2.323 0.708 325 HG22 THR 41 1HG2 THR 41 -8.847 1.844 2.185 326 HG23 THR 41 2HG2 THR 41 -8.990 0.707 0.845 327 H TYR 42 H TYR 42 -7.691 4.651 -0.651 328 HA TYR 42 HA TYR 42 -9.863 6.081 0.375 329 HB2 TYR 42 2HB TYR 42 -8.187 7.256 1.725 330 HB3 TYR 42 1HB TYR 42 -7.291 7.673 0.268 331 HD1 TYR 42 2HD TYR 42 -10.300 8.364 2.252 332 HD2 TYR 42 1HD TYR 42 -8.054 9.437 -1.199 333 HE1 TYR 42 2HE TYR 42 -11.622 10.427 2.041 334 HE2 TYR 42 1HE TYR 42 -9.369 11.503 -1.419 335 HH TYR 42 HH TYR 42 -11.481 12.612 1.049 336 H GLU 43 H GLU 43 -7.103 6.980 -1.699 337 HA GLU 43 HA GLU 43 -8.349 6.412 -4.141 338 HB2 GLU 43 2HB GLU 43 -9.747 8.398 -3.220 339 HB3 GLU 43 1HB GLU 43 -8.349 9.376 -3.646 340 HG2 GLU 43 2HG GLU 43 -8.802 9.296 -5.830 341 HG3 GLU 43 1HG GLU 43 -9.242 7.589 -5.777 342 H GLY 44 H GLY 44 -6.408 5.751 -4.908 343 HA2 GLY 44 2HA GLY 44 -4.301 5.903 -5.813 344 HA3 GLY 44 1HA GLY 44 -4.598 7.630 -5.960 345 H TRP 45 H TRP 45 -4.612 5.849 -2.942 346 HA TRP 45 HA TRP 45 -1.954 6.400 -2.178 347 HB2 TRP 45 2HB TRP 45 -3.473 8.662 -2.129 348 HB3 TRP 45 1HB TRP 45 -3.711 8.065 -0.496 349 HD1 TRP 45 HD TRP 45 -2.454 10.509 -0.021 350 HE1 TRP 45 1HE TRP 45 0.039 10.981 0.363 351 HE3 TRP 45 3HE TRP 45 -0.451 6.260 -2.110 352 HZ2 TRP 45 2HZ TRP 45 2.508 9.749 -0.140 353 HZ3 TRP 45 3HZ TRP 45 1.989 6.007 -2.110 354 HH2 TRP 45 HH TRP 45 3.439 7.713 -1.144 355 H TYR 46 H TYR 46 -2.022 4.285 -1.409 356 HA TYR 46 HA TYR 46 -3.782 3.852 0.917 357 HB2 TYR 46 2HB TYR 46 -2.673 1.576 -0.692 358 HB3 TYR 46 1HB TYR 46 -4.100 1.615 0.336 359 HD1 TYR 46 2HD TYR 46 -5.337 4.147 -0.832 360 HD2 TYR 46 1HD TYR 46 -3.636 0.699 -2.654 361 HE1 TYR 46 2HE TYR 46 -6.750 4.504 -2.812 362 HE2 TYR 46 1HE TYR 46 -5.043 1.044 -4.638 363 HH TYR 46 HH TYR 46 -7.549 2.434 -4.900 364 H ARG 47 H ARG 47 -2.947 2.811 2.709 365 HA ARG 47 HA ARG 47 -0.015 2.569 2.783 366 HB2 ARG 47 2HB ARG 47 -0.861 4.462 4.124 367 HB3 ARG 47 1HB ARG 47 -1.871 3.351 5.038 368 HG2 ARG 47 2HG ARG 47 0.229 2.168 5.732 369 HG3 ARG 47 1HG ARG 47 1.132 3.492 4.993 370 HD2 ARG 47 2HD ARG 47 -0.832 4.667 6.638 371 HD3 ARG 47 1HD ARG 47 -0.103 3.362 7.573 372 HE ARG 47 HE ARG 47 1.814 5.052 6.258 373 HH11 ARG 47 1HH1 ARG 47 -0.143 4.629 9.118 374 HH12 ARG 47 2HH1 ARG 47 0.886 5.600 10.116 375 HH21 ARG 47 1HH2 ARG 47 3.166 6.329 7.571 376 HH22 ARG 47 2HH2 ARG 47 2.765 6.566 9.238 377 H GLY 48 H GLY 48 0.696 0.565 3.094 378 HA2 GLY 48 2HA GLY 48 -0.861 -1.242 4.802 379 HA3 GLY 48 1HA GLY 48 -0.476 -1.761 3.168 380 H TYR 49 H TYR 49 0.566 -3.558 4.318 381 HA TYR 49 HA TYR 49 3.357 -2.881 4.895 382 HB2 TYR 49 2HB TYR 49 3.341 -4.556 6.767 383 HB3 TYR 49 1HB TYR 49 2.410 -3.096 7.087 384 HD1 TYR 49 2HD TYR 49 2.097 -6.648 6.062 385 HD2 TYR 49 1HD TYR 49 0.123 -3.223 7.632 386 HE1 TYR 49 2HE TYR 49 0.132 -8.029 6.583 387 HE2 TYR 49 1HE TYR 49 -1.849 -4.595 8.160 388 HH TYR 49 HH TYR 49 -2.879 -6.655 7.551 389 H THR 50 H THR 50 4.772 -4.193 3.917 390 HA THR 50 HA THR 50 3.888 -6.141 2.070 391 HB THR 50 HB THR 50 6.521 -6.698 2.276 392 HG1 THR 50 1HG THR 50 7.624 -4.881 2.920 393 HG21 THR 50 3HG2 THR 50 5.425 -4.224 0.963 394 HG22 THR 50 1HG2 THR 50 5.468 -5.840 0.259 395 HG23 THR 50 2HG2 THR 50 6.973 -4.988 0.609 396 H LEU 51 H LEU 51 4.456 -8.414 2.029 397 HA LEU 51 HA LEU 51 3.731 -9.746 4.416 398 HB2 LEU 51 2HB LEU 51 4.576 -10.553 1.686 399 HB3 LEU 51 1HB LEU 51 4.718 -11.757 2.953 400 HG LEU 51 HG LEU 51 2.599 -11.936 1.711 401 HD11 LEU 51 1HD1 LEU 51 1.153 -11.473 3.934 402 HD12 LEU 51 2HD1 LEU 51 2.779 -11.488 4.615 403 HD13 LEU 51 3HD1 LEU 51 2.187 -12.882 3.712 404 HD21 LEU 51 3HD2 LEU 51 2.290 -9.113 2.657 405 HD22 LEU 51 1HD2 LEU 51 0.876 -10.119 2.337 406 HD23 LEU 51 2HD2 LEU 51 2.032 -9.785 1.047 407 H ARG 52 H ARG 52 6.799 -8.942 2.963 408 HA ARG 52 HA ARG 52 8.404 -10.728 4.472 409 HB2 ARG 52 2HB ARG 52 9.013 -8.163 3.008 410 HB3 ARG 52 1HB ARG 52 10.252 -9.076 3.857 411 HG2 ARG 52 2HG ARG 52 8.523 -10.252 1.699 412 HG3 ARG 52 1HG ARG 52 10.092 -9.504 1.396 413 HD2 ARG 52 2HD ARG 52 11.250 -11.187 2.446 414 HD3 ARG 52 1HD ARG 52 9.890 -11.622 3.480 415 HE ARG 52 HE ARG 52 10.538 -12.781 0.994 416 HH11 ARG 52 1HH1 ARG 52 7.781 -11.711 2.846 417 HH12 ARG 52 2HH1 ARG 52 6.691 -12.832 2.103 418 HH21 ARG 52 1HH2 ARG 52 9.105 -14.256 0.016 419 HH22 ARG 52 2HH2 ARG 52 7.441 -14.277 0.497 420 H LYS 53 H LYS 53 7.739 -7.247 4.859 421 HA LYS 53 HA LYS 53 8.515 -7.515 7.690 422 HB2 LYS 53 2HB LYS 53 9.168 -5.146 7.629 423 HB3 LYS 53 1HB LYS 53 10.092 -6.105 6.482 424 HG2 LYS 53 2HG LYS 53 8.114 -5.300 4.872 425 HG3 LYS 53 1HG LYS 53 8.129 -3.953 6.011 426 HD2 LYS 53 2HD LYS 53 10.536 -3.662 5.612 427 HD3 LYS 53 1HD LYS 53 10.496 -4.990 4.451 428 HE2 LYS 53 2HE LYS 53 9.607 -3.708 2.837 429 HE3 LYS 53 1HE LYS 53 8.503 -2.904 3.953 430 HZ1 LYS 53 3HZ LYS 53 10.151 -1.375 4.573 431 HZ2 LYS 53 1HZ LYS 53 10.268 -1.477 2.888 432 HZ3 LYS 53 2HZ LYS 53 11.395 -2.276 3.865 433 H LYS 54 H LYS 54 6.305 -8.113 8.134 434 HA LYS 54 HA LYS 54 4.127 -6.389 7.557 435 HB2 LYS 54 2HB LYS 54 4.540 -8.696 9.432 436 HB3 LYS 54 1HB LYS 54 3.065 -7.743 9.511 437 HG2 LYS 54 2HG LYS 54 2.953 -8.211 6.951 438 HG3 LYS 54 1HG LYS 54 4.043 -9.543 7.345 439 HD2 LYS 54 2HD LYS 54 2.413 -10.340 9.018 440 HD3 LYS 54 1HD LYS 54 1.316 -9.044 8.537 441 HE2 LYS 54 2HE LYS 54 0.904 -9.992 6.462 442 HE3 LYS 54 1HE LYS 54 2.383 -10.950 6.494 443 HZ1 LYS 54 3HZ LYS 54 0.943 -12.583 7.011 444 HZ2 LYS 54 1HZ LYS 54 -0.229 -11.529 7.629 445 HZ3 LYS 54 2HZ LYS 54 1.098 -11.972 8.580 446 H SER 55 H SER 55 6.434 -6.581 10.173 447 HA SER 55 HA SER 55 5.093 -5.049 12.094 448 HB2 SER 55 2HB SER 55 7.396 -6.381 12.141 449 HB3 SER 55 1HB SER 55 8.053 -4.775 11.828 450 HG SER 55 HG SER 55 7.540 -5.639 14.134 451 H LYS 56 H LYS 56 6.886 -4.125 9.239 452 HA LYS 56 HA LYS 56 6.804 -1.304 9.967 453 HB2 LYS 56 2HB LYS 56 8.701 -2.673 8.679 454 HB3 LYS 56 1HB LYS 56 7.743 -2.190 7.288 455 HG2 LYS 56 2HG LYS 56 9.434 -0.562 7.568 456 HG3 LYS 56 1HG LYS 56 7.921 0.174 8.103 457 HD2 LYS 56 2HD LYS 56 8.616 -0.614 10.454 458 HD3 LYS 56 1HD LYS 56 10.224 -0.814 9.754 459 HE2 LYS 56 2HE LYS 56 10.279 1.518 9.121 460 HE3 LYS 56 1HE LYS 56 8.625 1.741 9.689 461 HZ1 LYS 56 3HZ LYS 56 9.266 1.613 11.880 462 HZ2 LYS 56 1HZ LYS 56 10.588 2.418 11.197 463 HZ3 LYS 56 2HZ LYS 56 10.690 0.765 11.545 464 H LYS 57 H LYS 57 5.829 0.291 8.612 465 HA LYS 57 HA LYS 57 3.804 -0.696 6.734 466 HB2 LYS 57 2HB LYS 57 3.337 0.721 9.281 467 HB3 LYS 57 1HB LYS 57 2.451 1.352 7.899 468 HG2 LYS 57 2HG LYS 57 0.944 -0.179 8.602 469 HG3 LYS 57 1HG LYS 57 1.911 -1.225 7.559 470 HD2 LYS 57 2HD LYS 57 1.934 -2.529 9.413 471 HD3 LYS 57 1HD LYS 57 3.295 -1.487 9.834 472 HE2 LYS 57 2HE LYS 57 2.099 -0.327 11.406 473 HE3 LYS 57 1HE LYS 57 0.557 -0.614 10.601 474 HZ1 LYS 57 3HZ LYS 57 0.673 -1.861 12.642 475 HZ2 LYS 57 1HZ LYS 57 2.117 -2.602 12.163 476 HZ3 LYS 57 2HZ LYS 57 0.680 -2.934 11.335 477 H GLY 58 H GLY 58 3.179 0.787 5.127 478 HA2 GLY 58 2HA GLY 58 4.344 3.434 5.072 479 HA3 GLY 58 1HA GLY 58 5.050 2.313 3.919 480 H ILE 59 H ILE 59 3.996 4.428 2.796 481 HA ILE 59 HA ILE 59 1.293 3.657 1.923 482 HB ILE 59 HB ILE 59 1.196 6.022 1.000 483 HG12 ILE 59 2HG1 ILE 59 3.599 6.326 2.821 484 HG13 ILE 59 1HG1 ILE 59 3.599 6.508 1.070 485 HG21 ILE 59 1HG2 ILE 59 1.162 5.237 3.865 486 HG22 ILE 59 2HG2 ILE 59 -0.153 5.776 2.821 487 HG23 ILE 59 3HG2 ILE 59 0.993 6.946 3.472 488 HD11 ILE 59 3HD1 ILE 59 1.675 8.287 1.840 489 HD12 ILE 59 1HD1 ILE 59 3.358 8.679 1.490 490 HD13 ILE 59 2HD1 ILE 59 2.849 8.394 3.154 491 H PHE 60 H PHE 60 0.778 3.834 -0.333 492 HA PHE 60 HA PHE 60 2.917 4.149 -2.242 493 HB2 PHE 60 2HB PHE 60 2.601 1.860 -3.208 494 HB3 PHE 60 1HB PHE 60 3.351 1.863 -1.615 495 HD1 PHE 60 2HD PHE 60 -0.002 1.589 -3.215 496 HD2 PHE 60 1HD PHE 60 2.532 0.444 0.005 497 HE1 PHE 60 2HE PHE 60 -1.742 0.058 -2.396 498 HE2 PHE 60 1HE PHE 60 0.795 -1.094 0.828 499 HZ PHE 60 HZ PHE 60 -1.346 -1.284 -0.378 500 HA PRO 61 HA PRO 61 -0.595 5.391 -4.650 501 HB2 PRO 61 2HB PRO 61 0.969 5.005 -7.083 502 HB3 PRO 61 1HB PRO 61 0.422 6.510 -6.339 503 HG2 PRO 61 2HG PRO 61 3.028 5.765 -6.404 504 HG3 PRO 61 1HG PRO 61 2.338 6.748 -5.100 505 HD2 PRO 61 2HD PRO 61 2.948 3.816 -5.145 506 HD3 PRO 61 1HD PRO 61 3.204 5.002 -3.848 507 H ALA 62 H ALA 62 -2.266 4.443 -5.717 508 HA ALA 62 HA ALA 62 -2.292 1.617 -6.002 509 HB1 ALA 62 1HB ALA 62 -4.374 3.326 -7.274 510 HB2 ALA 62 2HB ALA 62 -4.225 3.314 -5.517 511 HB3 ALA 62 3HB ALA 62 -4.546 1.813 -6.384 512 H SER 63 H SER 63 -1.128 4.026 -8.038 513 HA SER 63 HA SER 63 -1.864 3.345 -10.584 514 HB2 SER 63 2HB SER 63 -0.428 5.259 -10.059 515 HB3 SER 63 1HB SER 63 0.896 4.165 -9.656 516 HG SER 63 HG SER 63 -0.363 4.217 -12.193 517 H TYR 64 H TYR 64 0.150 1.489 -8.427 518 HA TYR 64 HA TYR 64 0.442 -0.504 -10.564 519 HB2 TYR 64 2HB TYR 64 2.720 -1.021 -9.835 520 HB3 TYR 64 1HB TYR 64 2.585 0.653 -10.357 521 HD1 TYR 64 1HD TYR 64 2.923 -1.556 -7.421 522 HD2 TYR 64 2HD TYR 64 2.988 2.454 -8.841 523 HE1 TYR 64 1HE TYR 64 3.896 -0.824 -5.287 524 HE2 TYR 64 2HE TYR 64 3.964 3.198 -6.710 525 HH TYR 64 HH TYR 64 4.101 2.442 -4.378 526 H ILE 65 H ILE 65 -1.382 -0.248 -8.213 527 HA ILE 65 HA ILE 65 -0.541 -2.625 -6.697 528 HB ILE 65 HB ILE 65 -2.762 -0.708 -5.990 529 HG12 ILE 65 2HG1 ILE 65 -0.661 0.490 -5.897 530 HG13 ILE 65 1HG1 ILE 65 -1.182 0.128 -4.253 531 HG21 ILE 65 1HG2 ILE 65 -1.622 -3.154 -4.752 532 HG22 ILE 65 2HG2 ILE 65 -3.289 -2.578 -4.798 533 HG23 ILE 65 3HG2 ILE 65 -2.134 -1.849 -3.682 534 HD11 ILE 65 3HD1 ILE 65 1.108 -0.306 -4.274 535 HD12 ILE 65 1HD1 ILE 65 1.030 -1.127 -5.834 536 HD13 ILE 65 2HD1 ILE 65 0.354 -1.896 -4.397 537 H HIS 66 H HIS 66 -1.696 -4.472 -6.737 538 HA HIS 66 HA HIS 66 -4.332 -4.491 -8.007 539 HB2 HIS 66 2HB HIS 66 -2.544 -4.998 -9.730 540 HB3 HIS 66 1HB HIS 66 -2.180 -6.454 -8.812 541 HD1 HIS 66 1HD HIS 66 -4.483 -5.091 -11.325 542 HD2 HIS 66 2HD HIS 66 -4.335 -8.376 -8.785 543 HE1 HIS 66 1HE HIS 66 -6.214 -6.693 -12.197 544 HE2 HIS 66 2HE HIS 66 -6.156 -8.643 -10.602 545 H LEU 67 H LEU 67 -5.613 -5.355 -6.517 546 HA LEU 67 HA LEU 67 -4.694 -7.007 -4.406 547 HB2 LEU 67 2HB LEU 67 -7.522 -6.588 -5.373 548 HB3 LEU 67 1HB LEU 67 -7.049 -7.239 -3.816 549 HG LEU 67 HG LEU 67 -6.409 -4.439 -4.743 550 HD11 LEU 67 1HD1 LEU 67 -8.350 -3.687 -3.920 551 HD12 LEU 67 2HD1 LEU 67 -8.324 -4.809 -2.561 552 HD13 LEU 67 3HD1 LEU 67 -8.902 -5.349 -4.138 553 HD21 LEU 67 3HD2 LEU 67 -5.148 -5.875 -2.830 554 HD22 LEU 67 1HD2 LEU 67 -6.447 -5.145 -1.888 555 HD23 LEU 67 2HD2 LEU 67 -5.333 -4.122 -2.792 556 H LYS 68 H LYS 68 -4.783 -9.186 -4.101 557 HA LYS 68 HA LYS 68 -5.774 -10.817 -6.343 558 HB2 LYS 68 2HB LYS 68 -3.248 -11.278 -4.746 559 HB3 LYS 68 1HB LYS 68 -3.887 -12.362 -5.974 560 HG2 LYS 68 2HG LYS 68 -3.494 -9.600 -6.871 561 HG3 LYS 68 1HG LYS 68 -2.017 -10.450 -6.413 562 HD2 LYS 68 2HD LYS 68 -3.270 -12.351 -7.886 563 HD3 LYS 68 1HD LYS 68 -3.824 -10.884 -8.693 564 HE2 LYS 68 2HE LYS 68 -0.939 -11.543 -8.113 565 HE3 LYS 68 1HE LYS 68 -1.739 -11.824 -9.660 566 HZ1 LYS 68 3HZ LYS 68 -2.239 -9.386 -9.676 567 HZ2 LYS 68 1HZ LYS 68 -0.600 -9.778 -9.828 568 HZ3 LYS 68 2HZ LYS 68 -1.201 -9.220 -8.351 569 H GLU 69 H GLU 69 -6.025 -13.170 -5.667 570 HA GLU 69 HA GLU 69 -7.406 -13.212 -3.084 571 HB2 GLU 69 2HB GLU 69 -8.418 -15.338 -3.975 572 HB3 GLU 69 1HB GLU 69 -8.817 -13.887 -4.886 573 HG2 GLU 69 2HG GLU 69 -7.950 -14.718 -6.745 574 HG3 GLU 69 1HG GLU 69 -6.442 -15.135 -5.933 575 H ALA 70 H ALA 70 -4.630 -13.295 -2.960 576 HA ALA 70 HA ALA 70 -2.943 -14.426 -1.933 577 HB1 ALA 70 1HB ALA 70 -3.528 -15.716 -0.178 578 HB2 ALA 70 2HB ALA 70 -4.596 -16.735 -1.145 579 HB3 ALA 70 3HB ALA 70 -5.152 -15.161 -0.580 580 H ILE 71 H ILE 71 -1.392 -15.921 -2.467 581 HA ILE 71 HA ILE 71 -2.123 -17.893 -4.535 582 HB ILE 71 HB ILE 71 0.508 -16.421 -4.430 583 HG12 ILE 71 2HG1 ILE 71 -0.727 -15.540 -6.702 584 HG13 ILE 71 1HG1 ILE 71 -2.090 -15.655 -5.593 585 HG21 ILE 71 1HG2 ILE 71 1.039 -18.207 -5.696 586 HG22 ILE 71 2HG2 ILE 71 0.219 -17.295 -6.964 587 HG23 ILE 71 3HG2 ILE 71 -0.643 -18.561 -6.090 588 HD11 ILE 71 3HD1 ILE 71 0.408 -14.025 -5.258 589 HD12 ILE 71 1HD1 ILE 71 -0.785 -14.264 -3.982 590 HD13 ILE 71 2HD1 ILE 71 -1.244 -13.446 -5.475 591 H VAL 72 H VAL 72 -1.167 -19.894 -4.421 592 HA VAL 72 HA VAL 72 1.071 -20.562 -2.867 593 HB VAL 72 HB VAL 72 -0.385 -20.031 -0.961 594 HG11 VAL 72 1HG1 VAL 72 -2.427 -21.006 -2.439 595 HG12 VAL 72 2HG1 VAL 72 -2.492 -20.774 -0.692 596 HG13 VAL 72 3HG1 VAL 72 -2.129 -22.366 -1.357 597 HG21 VAL 72 3HG2 VAL 72 0.201 -21.869 0.321 598 HG22 VAL 72 1HG2 VAL 72 1.314 -21.989 -1.040 599 HG23 VAL 72 2HG2 VAL 72 -0.123 -23.012 -0.981 600 H GLU 73 H GLU 73 1.810 -22.463 -3.582 601 HA GLU 73 HA GLU 73 0.005 -24.120 -5.184 602 HB2 GLU 73 2HB GLU 73 2.882 -23.501 -5.250 603 HB3 GLU 73 1HB GLU 73 2.490 -25.185 -5.567 604 HG2 GLU 73 2HG GLU 73 0.688 -23.649 -7.080 605 HG3 GLU 73 1HG GLU 73 2.280 -22.922 -7.294 606 H GLY 74 H GLY 74 -0.601 -26.109 -4.578 607 HA2 GLY 74 2HA GLY 74 0.842 -27.973 -3.139 608 HA3 GLY 74 1HA GLY 74 -0.026 -27.024 -1.940 Start of MODEL 3 1 H1 MET 1 1HT MET 1 -13.591 17.716 5.988 2 H2 MET 1 2HT MET 1 -12.301 18.762 6.425 3 H3 MET 1 3HT MET 1 -13.786 18.823 7.283 4 HA MET 1 HA MET 1 -11.930 17.671 8.409 5 HB2 MET 1 2HB MET 1 -14.628 16.495 7.823 6 HB3 MET 1 1HB MET 1 -13.518 15.656 8.897 7 HG2 MET 1 2HG MET 1 -13.998 17.009 10.582 8 HG3 MET 1 1HG MET 1 -13.721 18.444 9.597 9 HE1 MET 1 2HE MET 1 -17.197 15.919 10.428 10 HE2 MET 1 3HE MET 1 -17.180 17.219 11.621 11 HE3 MET 1 1HE MET 1 -15.740 16.230 11.372 12 H THR 2 H THR 2 -10.116 16.761 7.648 13 HA THR 2 HA THR 2 -10.126 14.895 5.466 14 HB THR 2 HB THR 2 -8.264 16.455 5.773 15 HG1 THR 2 1HG THR 2 -7.921 14.320 4.852 16 HG21 THR 2 3HG2 THR 2 -7.010 16.687 7.608 17 HG22 THR 2 1HG2 THR 2 -7.031 14.962 7.971 18 HG23 THR 2 2HG2 THR 2 -8.401 15.976 8.426 19 H ARG 3 H ARG 3 -11.016 12.955 5.865 20 HA ARG 3 HA ARG 3 -9.946 11.422 8.138 21 HB2 ARG 3 2HB ARG 3 -12.485 12.283 8.117 22 HB3 ARG 3 1HB ARG 3 -12.693 10.802 7.193 23 HG2 ARG 3 2HG ARG 3 -13.130 10.303 9.474 24 HG3 ARG 3 1HG ARG 3 -11.577 9.573 9.059 25 HD2 ARG 3 2HD ARG 3 -10.636 11.859 9.955 26 HD3 ARG 3 1HD ARG 3 -12.178 11.911 10.809 27 HE ARG 3 HE ARG 3 -11.250 9.444 11.389 28 HH11 ARG 3 1HH1 ARG 3 -9.827 12.622 11.608 29 HH12 ARG 3 2HH1 ARG 3 -8.814 12.213 12.951 30 HH21 ARG 3 1HH2 ARG 3 -9.921 8.903 13.156 31 HH22 ARG 3 2HH2 ARG 3 -8.866 10.102 13.830 32 H TRP 4 H TRP 4 -8.632 9.970 7.238 33 HA TRP 4 HA TRP 4 -8.968 8.951 4.605 34 HB2 TRP 4 2HB TRP 4 -6.962 8.885 6.633 35 HB3 TRP 4 1HB TRP 4 -7.270 7.232 6.114 36 HD1 TRP 4 HD TRP 4 -7.353 10.300 3.793 37 HE1 TRP 4 1HE TRP 4 -5.549 9.998 1.982 38 HE3 TRP 4 3HE TRP 4 -5.194 6.049 5.547 39 HZ2 TRP 4 2HZ TRP 4 -3.469 8.174 1.385 40 HZ3 TRP 4 3HZ TRP 4 -3.300 5.072 4.310 41 HH2 TRP 4 HH TRP 4 -2.458 6.117 2.270 42 H VAL 5 H VAL 5 -9.828 7.069 3.884 43 HA VAL 5 HA VAL 5 -11.684 5.709 5.601 44 HB VAL 5 HB VAL 5 -10.902 4.942 2.788 45 HG11 VAL 5 1HG1 VAL 5 -13.471 4.487 4.298 46 HG12 VAL 5 2HG1 VAL 5 -12.194 3.285 4.105 47 HG13 VAL 5 3HG1 VAL 5 -13.062 3.886 2.691 48 HG21 VAL 5 3HG2 VAL 5 -12.625 6.370 1.960 49 HG22 VAL 5 1HG2 VAL 5 -11.591 7.342 3.006 50 HG23 VAL 5 2HG2 VAL 5 -13.154 6.775 3.593 51 HA PRO 6 HA PRO 6 -8.879 2.424 6.689 52 HB2 PRO 6 2HB PRO 6 -10.539 0.916 8.126 53 HB3 PRO 6 1HB PRO 6 -10.072 2.530 8.676 54 HG2 PRO 6 2HG PRO 6 -12.605 1.632 7.373 55 HG3 PRO 6 1HG PRO 6 -12.373 2.790 8.692 56 HD2 PRO 6 2HD PRO 6 -12.750 3.451 6.017 57 HD3 PRO 6 1HD PRO 6 -12.057 4.523 7.249 58 H THR 7 H THR 7 -10.480 2.280 4.072 59 HA THR 7 HA THR 7 -11.152 0.753 2.508 60 HB THR 7 HB THR 7 -8.797 0.505 2.268 61 HG1 THR 7 1HG THR 7 -8.847 -1.388 1.314 62 HG21 THR 7 3HG2 THR 7 -8.877 -1.369 4.617 63 HG22 THR 7 1HG2 THR 7 -8.071 0.198 4.529 64 HG23 THR 7 2HG2 THR 7 -7.493 -1.148 3.546 65 H LYS 8 H LYS 8 -12.999 0.448 4.249 66 HA LYS 8 HA LYS 8 -13.128 -2.021 5.630 67 HB2 LYS 8 2HB LYS 8 -14.604 0.244 5.690 68 HB3 LYS 8 1HB LYS 8 -15.666 -0.786 4.739 69 HG2 LYS 8 2HG LYS 8 -15.257 -2.510 6.645 70 HG3 LYS 8 1HG LYS 8 -14.775 -1.086 7.569 71 HD2 LYS 8 2HD LYS 8 -16.922 -0.057 7.192 72 HD3 LYS 8 1HD LYS 8 -17.404 -1.371 6.117 73 HE2 LYS 8 2HE LYS 8 -18.406 -1.625 8.329 74 HE3 LYS 8 1HE LYS 8 -17.293 -2.946 7.976 75 HZ1 LYS 8 3HZ LYS 8 -15.632 -1.913 9.345 76 HZ2 LYS 8 1HZ LYS 8 -17.059 -2.067 10.243 77 HZ3 LYS 8 2HZ LYS 8 -16.614 -0.562 9.611 78 H ARG 9 H ARG 9 -14.590 -3.805 5.162 79 HA ARG 9 HA ARG 9 -15.338 -5.503 3.845 80 HB2 ARG 9 2HB ARG 9 -16.063 -3.066 2.296 81 HB3 ARG 9 1HB ARG 9 -16.164 -4.615 1.469 82 HG2 ARG 9 2HG ARG 9 -17.453 -5.208 3.762 83 HG3 ARG 9 1HG ARG 9 -17.845 -3.495 3.604 84 HD2 ARG 9 2HD ARG 9 -18.108 -4.844 1.070 85 HD3 ARG 9 1HD ARG 9 -19.071 -5.650 2.307 86 HE ARG 9 HE ARG 9 -20.465 -3.831 2.366 87 HH11 ARG 9 1HH1 ARG 9 -17.546 -2.974 0.655 88 HH12 ARG 9 2HH1 ARG 9 -18.162 -1.448 0.115 89 HH21 ARG 9 1HH2 ARG 9 -21.276 -1.825 1.656 90 HH22 ARG 9 2HH2 ARG 9 -20.280 -0.796 0.683 91 H GLU 10 H GLU 10 -12.528 -4.716 3.780 92 HA GLU 10 HA GLU 10 -11.779 -6.190 1.389 93 HB2 GLU 10 2HB GLU 10 -11.740 -3.525 1.135 94 HB3 GLU 10 1HB GLU 10 -10.167 -3.741 1.887 95 HG2 GLU 10 2HG GLU 10 -9.534 -5.298 0.110 96 HG3 GLU 10 1HG GLU 10 -11.109 -5.062 -0.647 97 H GLU 11 H GLU 11 -11.351 -7.730 3.120 98 HA GLU 11 HA GLU 11 -9.005 -7.120 4.764 99 HB2 GLU 11 2HB GLU 11 -9.570 -9.136 6.017 100 HB3 GLU 11 1HB GLU 11 -10.959 -8.065 5.909 101 HG2 GLU 11 2HG GLU 11 -11.796 -9.458 4.022 102 HG3 GLU 11 1HG GLU 11 -10.474 -10.580 4.333 103 H LYS 12 H LYS 12 -8.747 -7.535 1.916 104 HA LYS 12 HA LYS 12 -7.160 -10.022 1.908 105 HB2 LYS 12 2HB LYS 12 -7.544 -10.142 -0.512 106 HB3 LYS 12 1HB LYS 12 -9.059 -10.166 0.380 107 HG2 LYS 12 2HG LYS 12 -8.707 -7.495 -0.112 108 HG3 LYS 12 1HG LYS 12 -8.059 -8.247 -1.571 109 HD2 LYS 12 2HD LYS 12 -10.395 -7.833 -1.914 110 HD3 LYS 12 1HD LYS 12 -10.165 -9.574 -1.739 111 HE2 LYS 12 2HE LYS 12 -10.614 -8.885 0.829 112 HE3 LYS 12 1HE LYS 12 -11.571 -7.655 0.005 113 HZ1 LYS 12 3HZ LYS 12 -12.395 -9.743 -1.329 114 HZ2 LYS 12 1HZ LYS 12 -13.092 -9.319 0.153 115 HZ3 LYS 12 2HZ LYS 12 -11.942 -10.556 0.083 116 H TYR 13 H TYR 13 -5.279 -9.981 0.425 117 HA TYR 13 HA TYR 13 -4.045 -7.305 0.395 118 HB2 TYR 13 2HB TYR 13 -1.864 -8.723 0.363 119 HB3 TYR 13 1HB TYR 13 -2.730 -8.521 1.881 120 HD1 TYR 13 1HD TYR 13 -3.048 -10.841 -1.042 121 HD2 TYR 13 2HD TYR 13 -2.674 -10.420 3.175 122 HE1 TYR 13 1HE TYR 13 -3.173 -13.284 -0.793 123 HE2 TYR 13 2HE TYR 13 -2.797 -12.862 3.435 124 HH TYR 13 HH TYR 13 -3.888 -14.906 1.108 125 H GLY 14 H GLY 14 -2.370 -6.997 -1.303 126 HA2 GLY 14 2HA GLY 14 -2.993 -8.530 -3.747 127 HA3 GLY 14 1HA GLY 14 -2.957 -6.774 -3.768 128 H VAL 15 H VAL 15 -1.336 -6.928 -5.414 129 HA VAL 15 HA VAL 15 1.335 -7.483 -4.301 130 HB VAL 15 HB VAL 15 0.513 -7.968 -7.168 131 HG11 VAL 15 1HG1 VAL 15 2.806 -9.311 -6.878 132 HG12 VAL 15 2HG1 VAL 15 3.089 -8.018 -5.711 133 HG13 VAL 15 3HG1 VAL 15 2.745 -7.626 -7.395 134 HG21 VAL 15 3HG2 VAL 15 0.954 -9.903 -4.900 135 HG22 VAL 15 1HG2 VAL 15 0.840 -10.370 -6.597 136 HG23 VAL 15 2HG2 VAL 15 -0.541 -9.624 -5.793 137 H ALA 16 H ALA 16 3.023 -6.144 -5.000 138 HA ALA 16 HA ALA 16 2.173 -3.689 -6.397 139 HB1 ALA 16 1HB ALA 16 2.594 -2.661 -4.452 140 HB2 ALA 16 2HB ALA 16 4.295 -2.891 -4.858 141 HB3 ALA 16 3HB ALA 16 3.473 -4.045 -3.805 142 H PHE 17 H PHE 17 3.077 -3.781 -8.378 143 HA PHE 17 HA PHE 17 5.800 -4.849 -8.617 144 HB2 PHE 17 2HB PHE 17 5.244 -4.765 -11.121 145 HB3 PHE 17 1HB PHE 17 4.400 -5.963 -10.146 146 HD1 PHE 17 1HD PHE 17 2.034 -5.676 -9.602 147 HD2 PHE 17 2HD PHE 17 4.083 -2.933 -12.129 148 HE1 PHE 17 1HE PHE 17 -0.125 -4.797 -10.389 149 HE2 PHE 17 2HE PHE 17 1.928 -2.047 -12.921 150 HZ PHE 17 HZ PHE 17 -0.179 -2.980 -12.050 151 H TYR 18 H TYR 18 7.012 -3.096 -7.961 152 HA TYR 18 HA TYR 18 7.443 -1.081 -9.954 153 HB2 TYR 18 2HB TYR 18 5.574 -0.463 -7.974 154 HB3 TYR 18 1HB TYR 18 7.050 0.345 -7.460 155 HD1 TYR 18 2HD TYR 18 4.541 0.101 -10.147 156 HD2 TYR 18 1HD TYR 18 7.910 2.230 -8.659 157 HE1 TYR 18 2HE TYR 18 4.099 1.910 -11.752 158 HE2 TYR 18 1HE TYR 18 7.476 4.046 -10.261 159 HH TYR 18 HH TYR 18 5.437 3.735 -12.884 160 H ASN 19 H ASN 19 9.114 0.578 -9.059 161 HA ASN 19 HA ASN 19 11.053 -0.878 -7.381 162 HB2 ASN 19 2HB ASN 19 11.606 0.936 -9.742 163 HB3 ASN 19 1HB ASN 19 12.840 0.245 -8.694 164 HD21 ASN 19 1HD2 ASN 19 10.306 -0.515 -10.998 165 HD22 ASN 19 2HD2 ASN 19 10.948 -2.044 -11.483 166 H TYR 20 H TYR 20 9.442 0.532 -5.938 167 HA TYR 20 HA TYR 20 10.452 3.260 -5.650 168 HB2 TYR 20 2HB TYR 20 7.989 2.801 -5.661 169 HB3 TYR 20 1HB TYR 20 8.195 1.913 -4.156 170 HD1 TYR 20 2HD TYR 20 9.934 5.061 -5.047 171 HD2 TYR 20 1HD TYR 20 6.852 3.249 -2.741 172 HE1 TYR 20 2HE TYR 20 9.658 7.152 -3.783 173 HE2 TYR 20 1HE TYR 20 6.565 5.335 -1.473 174 HH TYR 20 HH TYR 20 8.755 7.750 -1.385 175 H ASP 21 H ASP 21 11.386 4.043 -3.774 176 HA ASP 21 HA ASP 21 12.058 2.082 -1.694 177 HB2 ASP 21 2HB ASP 21 14.013 3.988 -2.999 178 HB3 ASP 21 1HB ASP 21 14.366 2.960 -1.614 179 H ALA 22 H ALA 22 11.287 2.822 0.162 180 HA ALA 22 HA ALA 22 10.484 5.501 0.580 181 HB1 ALA 22 1HB ALA 22 10.676 3.063 2.281 182 HB2 ALA 22 2HB ALA 22 9.271 4.047 1.872 183 HB3 ALA 22 3HB ALA 22 10.440 4.628 3.058 184 H ARG 23 H ARG 23 11.301 7.027 2.103 185 HA ARG 23 HA ARG 23 14.179 6.731 2.666 186 HB2 ARG 23 2HB ARG 23 12.757 9.305 1.971 187 HB3 ARG 23 1HB ARG 23 14.482 9.097 2.242 188 HG2 ARG 23 2HG ARG 23 14.495 9.061 -0.017 189 HG3 ARG 23 1HG ARG 23 14.179 7.348 0.261 190 HD2 ARG 23 2HD ARG 23 12.165 7.477 -0.687 191 HD3 ARG 23 1HD ARG 23 11.736 8.906 0.254 192 HE ARG 23 HE ARG 23 12.246 10.195 -1.559 193 HH11 ARG 23 1HH1 ARG 23 13.709 7.057 -1.987 194 HH12 ARG 23 2HH1 ARG 23 14.232 7.382 -3.605 195 HH21 ARG 23 1HH2 ARG 23 12.932 10.626 -3.688 196 HH22 ARG 23 2HH2 ARG 23 13.790 9.409 -4.572 197 H GLY 24 H GLY 24 11.892 6.110 4.375 198 HA2 GLY 24 2HA GLY 24 12.789 7.124 6.800 199 HA3 GLY 24 1HA GLY 24 11.491 8.183 6.273 200 H ALA 25 H ALA 25 10.987 7.037 8.559 201 HA ALA 25 HA ALA 25 9.841 4.432 8.408 202 HB1 ALA 25 1HB ALA 25 10.025 6.571 10.440 203 HB2 ALA 25 2HB ALA 25 10.373 4.847 10.570 204 HB3 ALA 25 3HB ALA 25 8.704 5.416 10.618 205 H ASP 26 H ASP 26 8.637 7.677 7.934 206 HA ASP 26 HA ASP 26 5.886 7.171 8.152 207 HB2 ASP 26 2HB ASP 26 7.564 9.344 7.344 208 HB3 ASP 26 1HB ASP 26 6.289 9.147 6.146 209 H GLU 27 H GLU 27 8.162 6.593 5.572 210 HA GLU 27 HA GLU 27 5.962 5.599 3.883 211 HB2 GLU 27 2HB GLU 27 8.487 7.026 3.261 212 HB3 GLU 27 1HB GLU 27 8.004 5.762 2.139 213 HG2 GLU 27 2HG GLU 27 7.132 7.790 1.307 214 HG3 GLU 27 1HG GLU 27 5.774 6.887 1.976 215 H LEU 28 H LEU 28 6.758 3.824 2.331 216 HA LEU 28 HA LEU 28 8.663 2.018 3.635 217 HB2 LEU 28 2HB LEU 28 6.510 1.313 4.460 218 HB3 LEU 28 1HB LEU 28 5.840 1.319 2.840 219 HG LEU 28 HG LEU 28 7.816 -0.459 2.486 220 HD11 LEU 28 1HD1 LEU 28 8.760 -0.869 4.488 221 HD12 LEU 28 2HD1 LEU 28 7.359 -1.921 4.698 222 HD13 LEU 28 3HD1 LEU 28 7.354 -0.296 5.387 223 HD21 LEU 28 3HD2 LEU 28 5.374 -1.547 3.753 224 HD22 LEU 28 1HD2 LEU 28 6.149 -1.977 2.229 225 HD23 LEU 28 2HD2 LEU 28 5.163 -0.519 2.336 226 H SER 29 H SER 29 9.896 0.857 2.248 227 HA SER 29 HA SER 29 9.866 1.586 -0.515 228 HB2 SER 29 2HB SER 29 11.875 0.347 -0.712 229 HB3 SER 29 1HB SER 29 11.919 1.028 0.915 230 HG SER 29 HG SER 29 12.237 -0.977 1.468 231 H LEU 30 H LEU 30 9.442 0.297 -2.311 232 HA LEU 30 HA LEU 30 8.171 -2.298 -1.814 233 HB2 LEU 30 2HB LEU 30 6.916 0.125 -2.896 234 HB3 LEU 30 1HB LEU 30 6.666 -1.307 -3.877 235 HG LEU 30 HG LEU 30 5.989 -1.088 -0.943 236 HD11 LEU 30 1HD1 LEU 30 3.638 -1.437 -2.239 237 HD12 LEU 30 2HD1 LEU 30 4.506 -0.421 -3.389 238 HD13 LEU 30 3HD1 LEU 30 4.273 0.127 -1.729 239 HD21 LEU 30 3HD2 LEU 30 5.339 -3.255 -0.981 240 HD22 LEU 30 1HD2 LEU 30 6.560 -3.356 -2.250 241 HD23 LEU 30 2HD2 LEU 30 4.857 -3.195 -2.676 242 H GLN 31 H GLN 31 8.594 -3.838 -3.304 243 HA GLN 31 HA GLN 31 10.053 -3.026 -5.729 244 HB2 GLN 31 2HB GLN 31 10.652 -5.357 -3.901 245 HB3 GLN 31 1HB GLN 31 11.383 -5.134 -5.485 246 HG2 GLN 31 2HG GLN 31 12.567 -3.236 -4.797 247 HG3 GLN 31 1HG GLN 31 11.581 -3.041 -3.349 248 HE21 GLN 31 1HE2 GLN 31 11.615 -5.217 -2.006 249 HE22 GLN 31 2HE2 GLN 31 13.204 -5.797 -1.660 250 H ILE 32 H ILE 32 10.016 -4.702 -7.450 251 HA ILE 32 HA ILE 32 7.337 -5.574 -7.892 252 HB ILE 32 HB ILE 32 9.786 -6.283 -9.507 253 HG12 ILE 32 2HG1 ILE 32 7.884 -4.008 -10.052 254 HG13 ILE 32 1HG1 ILE 32 9.346 -3.790 -9.095 255 HG21 ILE 32 1HG2 ILE 32 6.925 -6.082 -10.413 256 HG22 ILE 32 2HG2 ILE 32 7.665 -7.589 -9.875 257 HG23 ILE 32 3HG2 ILE 32 8.299 -6.752 -11.293 258 HD11 ILE 32 3HD1 ILE 32 10.732 -4.111 -10.905 259 HD12 ILE 32 1HD1 ILE 32 9.367 -3.258 -11.625 260 HD13 ILE 32 2HD1 ILE 32 9.513 -5.005 -11.813 261 H GLY 33 H GLY 33 6.438 -7.555 -7.740 262 HA2 GLY 33 2HA GLY 33 6.431 -9.911 -7.611 263 HA3 GLY 33 1HA GLY 33 8.146 -9.873 -7.227 264 H ASP 34 H ASP 34 6.925 -7.560 -5.305 265 HA ASP 34 HA ASP 34 6.762 -9.391 -3.036 266 HB2 ASP 34 2HB ASP 34 7.217 -6.426 -3.295 267 HB3 ASP 34 1HB ASP 34 6.827 -7.161 -1.743 268 H THR 35 H THR 35 5.044 -9.444 -1.606 269 HA THR 35 HA THR 35 2.507 -8.512 -2.700 270 HB THR 35 HB THR 35 2.909 -10.200 -0.231 271 HG1 THR 35 1HG THR 35 3.926 -11.164 -2.066 272 HG21 THR 35 3HG2 THR 35 0.713 -11.055 -0.691 273 HG22 THR 35 1HG2 THR 35 0.611 -10.097 -2.169 274 HG23 THR 35 2HG2 THR 35 0.647 -9.296 -0.597 275 H VAL 36 H VAL 36 1.008 -7.283 -1.455 276 HA VAL 36 HA VAL 36 2.095 -5.989 0.941 277 HB VAL 36 HB VAL 36 1.268 -3.780 0.117 278 HG11 VAL 36 1HG1 VAL 36 3.493 -3.654 -0.101 279 HG12 VAL 36 2HG1 VAL 36 3.183 -3.847 -1.825 280 HG13 VAL 36 3HG1 VAL 36 3.606 -5.250 -0.845 281 HG21 VAL 36 3HG2 VAL 36 -0.217 -4.829 -1.645 282 HG22 VAL 36 1HG2 VAL 36 1.242 -5.047 -2.611 283 HG23 VAL 36 2HG2 VAL 36 0.721 -3.426 -2.154 284 H HIS 37 H HIS 37 0.634 -5.537 2.489 285 HA HIS 37 HA HIS 37 -2.176 -6.189 1.909 286 HB2 HIS 37 2HB HIS 37 -1.132 -7.645 3.584 287 HB3 HIS 37 1HB HIS 37 -0.687 -6.239 4.545 288 HD1 HIS 37 1HD HIS 37 -2.363 -5.450 6.221 289 HD2 HIS 37 2HD HIS 37 -4.016 -8.058 3.441 290 HE1 HIS 37 1HE HIS 37 -4.697 -5.911 7.036 291 HE2 HIS 37 2HE HIS 37 -5.705 -7.427 5.295 292 H ILE 38 H ILE 38 -3.287 -4.386 1.525 293 HA ILE 38 HA ILE 38 -2.544 -1.853 2.661 294 HB ILE 38 HB ILE 38 -5.052 -2.511 1.120 295 HG12 ILE 38 2HG1 ILE 38 -2.822 -1.188 -0.278 296 HG13 ILE 38 1HG1 ILE 38 -2.511 -2.862 0.171 297 HG21 ILE 38 1HG2 ILE 38 -3.592 0.097 1.521 298 HG22 ILE 38 2HG2 ILE 38 -5.086 -0.379 2.328 299 HG23 ILE 38 3HG2 ILE 38 -5.066 -0.139 0.581 300 HD11 ILE 38 3HD1 ILE 38 -5.120 -2.641 -0.977 301 HD12 ILE 38 1HD1 ILE 38 -3.733 -3.581 -1.521 302 HD13 ILE 38 2HD1 ILE 38 -3.924 -1.909 -2.046 303 H LEU 39 H LEU 39 -3.334 -0.872 4.406 304 HA LEU 39 HA LEU 39 -5.557 -2.169 5.833 305 HB2 LEU 39 2HB LEU 39 -4.660 -1.329 7.871 306 HB3 LEU 39 1HB LEU 39 -3.343 -2.074 6.985 307 HG LEU 39 HG LEU 39 -3.105 0.513 6.172 308 HD11 LEU 39 1HD1 LEU 39 -3.729 2.037 7.718 309 HD12 LEU 39 2HD1 LEU 39 -3.502 0.927 9.068 310 HD13 LEU 39 3HD1 LEU 39 -4.959 0.826 8.078 311 HD21 LEU 39 3HD2 LEU 39 -1.458 0.538 8.282 312 HD22 LEU 39 1HD2 LEU 39 -1.130 -0.385 6.815 313 HD23 LEU 39 2HD2 LEU 39 -1.826 -1.184 8.225 314 H GLU 40 H GLU 40 -4.535 0.700 4.252 315 HA GLU 40 HA GLU 40 -7.085 1.978 4.922 316 HB2 GLU 40 2HB GLU 40 -4.472 2.899 5.735 317 HB3 GLU 40 1HB GLU 40 -5.225 4.075 4.667 318 HG2 GLU 40 2HG GLU 40 -6.744 4.678 6.194 319 HG3 GLU 40 1HG GLU 40 -6.996 3.022 6.745 320 H THR 41 H THR 41 -7.861 3.430 3.309 321 HA THR 41 HA THR 41 -6.345 3.579 0.817 322 HB THR 41 HB THR 41 -7.739 1.531 0.671 323 HG1 THR 41 1HG THR 41 -8.671 2.088 -1.332 324 HG21 THR 41 3HG2 THR 41 -9.677 2.820 1.992 325 HG22 THR 41 1HG2 THR 41 -9.967 1.439 0.935 326 HG23 THR 41 2HG2 THR 41 -10.219 3.078 0.334 327 H TYR 42 H TYR 42 -7.776 4.856 -0.860 328 HA TYR 42 HA TYR 42 -9.692 6.696 0.021 329 HB2 TYR 42 2HB TYR 42 -7.477 7.418 1.241 330 HB3 TYR 42 1HB TYR 42 -7.078 8.117 -0.324 331 HD1 TYR 42 1HD TYR 42 -10.234 7.941 1.679 332 HD2 TYR 42 2HD TYR 42 -7.369 10.402 -0.280 333 HE1 TYR 42 1HE TYR 42 -11.571 9.928 2.234 334 HE2 TYR 42 2HE TYR 42 -8.698 12.396 0.271 335 HH TYR 42 HH TYR 42 -11.121 12.909 0.798 336 H GLU 43 H GLU 43 -6.762 7.113 -1.973 337 HA GLU 43 HA GLU 43 -7.921 6.576 -4.447 338 HB2 GLU 43 2HB GLU 43 -9.352 8.514 -4.001 339 HB3 GLU 43 1HB GLU 43 -7.932 9.515 -3.733 340 HG2 GLU 43 2HG GLU 43 -8.156 10.085 -5.871 341 HG3 GLU 43 1HG GLU 43 -7.453 8.507 -6.222 342 H GLY 44 H GLY 44 -6.003 5.766 -5.119 343 HA2 GLY 44 2HA GLY 44 -3.831 5.722 -5.871 344 HA3 GLY 44 1HA GLY 44 -4.011 7.451 -6.139 345 H TRP 45 H TRP 45 -4.381 5.990 -2.999 346 HA TRP 45 HA TRP 45 -1.715 6.409 -2.110 347 HB2 TRP 45 2HB TRP 45 -3.025 8.744 -2.317 348 HB3 TRP 45 1HB TRP 45 -3.580 8.260 -0.724 349 HD1 TRP 45 HD TRP 45 -2.295 10.437 0.200 350 HE1 TRP 45 1HE TRP 45 0.159 10.805 0.859 351 HE3 TRP 45 3HE TRP 45 -0.162 6.408 -2.174 352 HZ2 TRP 45 2HZ TRP 45 2.650 9.579 0.442 353 HZ3 TRP 45 3HZ TRP 45 2.264 6.098 -1.981 354 HH2 TRP 45 HH TRP 45 3.641 7.649 -0.702 355 H TYR 46 H TYR 46 -1.913 4.357 -1.243 356 HA TYR 46 HA TYR 46 -3.845 4.085 0.967 357 HB2 TYR 46 2HB TYR 46 -2.690 1.758 -0.554 358 HB3 TYR 46 1HB TYR 46 -4.114 1.791 0.480 359 HD1 TYR 46 1HD TYR 46 -5.325 4.345 -0.718 360 HD2 TYR 46 2HD TYR 46 -3.706 0.831 -2.486 361 HE1 TYR 46 1HE TYR 46 -6.748 4.692 -2.694 362 HE2 TYR 46 2HE TYR 46 -5.122 1.167 -4.466 363 HH TYR 46 HH TYR 46 -7.374 2.371 -4.937 364 H ARG 47 H ARG 47 -3.179 2.742 2.756 365 HA ARG 47 HA ARG 47 -0.259 2.746 3.144 366 HB2 ARG 47 2HB ARG 47 -1.435 4.377 4.574 367 HB3 ARG 47 1HB ARG 47 -2.424 3.080 5.228 368 HG2 ARG 47 2HG ARG 47 -0.257 2.007 5.993 369 HG3 ARG 47 1HG ARG 47 0.515 3.547 5.605 370 HD2 ARG 47 2HD ARG 47 -1.742 3.112 7.559 371 HD3 ARG 47 1HD ARG 47 -0.062 3.458 7.962 372 HE ARG 47 HE ARG 47 -1.254 5.458 6.289 373 HH11 ARG 47 1HH1 ARG 47 -0.867 4.373 9.584 374 HH12 ARG 47 2HH1 ARG 47 -1.134 5.944 10.265 375 HH21 ARG 47 1HH2 ARG 47 -1.606 7.523 7.183 376 HH22 ARG 47 2HH2 ARG 47 -1.553 7.732 8.901 377 H GLY 48 H GLY 48 0.704 0.885 3.730 378 HA2 GLY 48 2HA GLY 48 -0.665 -1.236 5.070 379 HA3 GLY 48 1HA GLY 48 -0.460 -1.582 3.360 380 H TYR 49 H TYR 49 0.824 -3.405 4.127 381 HA TYR 49 HA TYR 49 3.626 -2.677 4.259 382 HB2 TYR 49 2HB TYR 49 3.949 -4.305 6.217 383 HB3 TYR 49 1HB TYR 49 3.290 -2.714 6.588 384 HD1 TYR 49 2HD TYR 49 0.708 -2.540 6.734 385 HD2 TYR 49 1HD TYR 49 2.840 -6.217 6.943 386 HE1 TYR 49 2HE TYR 49 -1.226 -3.592 7.830 387 HE2 TYR 49 1HE TYR 49 0.911 -7.278 8.039 388 HH TYR 49 HH TYR 49 -1.525 -5.656 9.453 389 H THR 50 H THR 50 5.029 -4.357 3.649 390 HA THR 50 HA THR 50 3.787 -6.356 1.981 391 HB THR 50 HB THR 50 6.173 -6.954 1.434 392 HG1 THR 50 1HG THR 50 7.777 -5.590 2.222 393 HG21 THR 50 3HG2 THR 50 5.040 -4.251 1.007 394 HG22 THR 50 1HG2 THR 50 5.466 -5.503 -0.159 395 HG23 THR 50 2HG2 THR 50 6.730 -4.523 0.581 396 H LEU 51 H LEU 51 3.894 -8.574 2.224 397 HA LEU 51 HA LEU 51 3.774 -9.605 4.819 398 HB2 LEU 51 2HB LEU 51 3.929 -10.785 2.090 399 HB3 LEU 51 1HB LEU 51 4.200 -11.843 3.462 400 HG LEU 51 HG LEU 51 1.776 -10.129 3.539 401 HD11 LEU 51 1HD1 LEU 51 0.514 -11.729 2.181 402 HD12 LEU 51 2HD1 LEU 51 2.016 -12.561 1.774 403 HD13 LEU 51 3HD1 LEU 51 1.753 -10.902 1.237 404 HD21 LEU 51 3HD2 LEU 51 1.723 -13.022 4.099 405 HD22 LEU 51 1HD2 LEU 51 1.037 -11.675 5.006 406 HD23 LEU 51 2HD2 LEU 51 2.754 -12.051 5.150 407 H ARG 52 H ARG 52 6.459 -9.193 2.642 408 HA ARG 52 HA ARG 52 8.263 -10.995 3.846 409 HB2 ARG 52 2HB ARG 52 8.569 -8.575 2.102 410 HB3 ARG 52 1HB ARG 52 9.989 -9.326 2.815 411 HG2 ARG 52 2HG ARG 52 9.994 -10.556 0.949 412 HG3 ARG 52 1HG ARG 52 8.739 -11.489 1.769 413 HD2 ARG 52 2HD ARG 52 7.270 -9.495 0.669 414 HD3 ARG 52 1HD ARG 52 8.551 -9.665 -0.529 415 HE ARG 52 HE ARG 52 6.437 -11.529 0.030 416 HH11 ARG 52 1HH1 ARG 52 9.655 -11.159 -1.267 417 HH12 ARG 52 2HH1 ARG 52 9.553 -12.576 -2.259 418 HH21 ARG 52 1HH2 ARG 52 6.302 -13.394 -1.273 419 HH22 ARG 52 2HH2 ARG 52 7.649 -13.844 -2.262 420 H LYS 53 H LYS 53 7.527 -7.593 4.453 421 HA LYS 53 HA LYS 53 8.898 -7.828 7.034 422 HB2 LYS 53 2HB LYS 53 9.788 -5.511 6.742 423 HB3 LYS 53 1HB LYS 53 10.504 -6.696 5.657 424 HG2 LYS 53 2HG LYS 53 9.706 -5.688 3.820 425 HG3 LYS 53 1HG LYS 53 8.161 -5.299 4.577 426 HD2 LYS 53 2HD LYS 53 8.826 -3.223 5.058 427 HD3 LYS 53 1HD LYS 53 10.337 -3.800 5.764 428 HE2 LYS 53 2HE LYS 53 11.088 -4.124 3.315 429 HE3 LYS 53 1HE LYS 53 9.741 -3.056 2.922 430 HZ1 LYS 53 3HZ LYS 53 11.905 -2.365 4.833 431 HZ2 LYS 53 1HZ LYS 53 10.691 -1.338 4.254 432 HZ3 LYS 53 2HZ LYS 53 11.893 -1.901 3.208 433 H LYS 54 H LYS 54 6.744 -8.060 7.851 434 HA LYS 54 HA LYS 54 4.794 -6.003 7.489 435 HB2 LYS 54 2HB LYS 54 4.947 -8.183 9.578 436 HB3 LYS 54 1HB LYS 54 3.537 -7.187 9.242 437 HG2 LYS 54 2HG LYS 54 3.508 -8.102 6.935 438 HG3 LYS 54 1HG LYS 54 4.822 -9.185 7.395 439 HD2 LYS 54 2HD LYS 54 3.470 -10.513 8.642 440 HD3 LYS 54 1HD LYS 54 2.448 -9.170 9.157 441 HE2 LYS 54 2HE LYS 54 1.668 -9.144 6.687 442 HE3 LYS 54 1HE LYS 54 2.336 -10.774 6.631 443 HZ1 LYS 54 3HZ LYS 54 0.907 -11.267 8.608 444 HZ2 LYS 54 1HZ LYS 54 0.061 -10.974 7.174 445 HZ3 LYS 54 2HZ LYS 54 0.148 -9.776 8.365 446 H SER 55 H SER 55 7.479 -6.445 9.600 447 HA SER 55 HA SER 55 6.732 -5.027 11.859 448 HB2 SER 55 2HB SER 55 8.827 -6.198 11.836 449 HB3 SER 55 1HB SER 55 9.416 -5.230 10.485 450 HG SER 55 HG SER 55 9.541 -3.460 11.824 451 H LYS 56 H LYS 56 7.899 -3.826 8.750 452 HA LYS 56 HA LYS 56 7.642 -1.069 9.692 453 HB2 LYS 56 2HB LYS 56 9.616 -2.059 8.273 454 HB3 LYS 56 1HB LYS 56 8.520 -1.794 6.925 455 HG2 LYS 56 2HG LYS 56 8.908 0.394 6.913 456 HG3 LYS 56 1HG LYS 56 8.693 0.523 8.659 457 HD2 LYS 56 2HD LYS 56 10.892 1.007 8.656 458 HD3 LYS 56 1HD LYS 56 11.091 -0.741 8.522 459 HE2 LYS 56 2HE LYS 56 11.090 -0.468 6.038 460 HE3 LYS 56 1HE LYS 56 11.096 1.278 6.284 461 HZ1 LYS 56 3HZ LYS 56 13.313 -0.012 5.947 462 HZ2 LYS 56 1HZ LYS 56 13.155 -0.351 7.598 463 HZ3 LYS 56 2HZ LYS 56 13.231 1.253 7.066 464 H LYS 57 H LYS 57 6.345 0.463 8.626 465 HA LYS 57 HA LYS 57 4.298 -0.636 6.821 466 HB2 LYS 57 2HB LYS 57 3.941 0.872 9.372 467 HB3 LYS 57 1HB LYS 57 2.799 1.155 8.067 468 HG2 LYS 57 2HG LYS 57 1.668 -0.585 8.854 469 HG3 LYS 57 1HG LYS 57 2.956 -1.595 8.190 470 HD2 LYS 57 2HD LYS 57 4.164 -1.315 10.373 471 HD3 LYS 57 1HD LYS 57 2.712 -0.536 11.001 472 HE2 LYS 57 2HE LYS 57 1.715 -2.835 9.894 473 HE3 LYS 57 1HE LYS 57 3.276 -3.365 10.519 474 HZ1 LYS 57 3HZ LYS 57 1.195 -3.410 12.035 475 HZ2 LYS 57 1HZ LYS 57 1.505 -1.758 12.229 476 HZ3 LYS 57 2HZ LYS 57 2.676 -2.896 12.671 477 H GLY 58 H GLY 58 3.341 0.882 5.371 478 HA2 GLY 58 2HA GLY 58 4.232 3.601 5.271 479 HA3 GLY 58 1HA GLY 58 5.055 2.603 4.089 480 H ILE 59 H ILE 59 3.906 4.332 2.752 481 HA ILE 59 HA ILE 59 1.274 3.275 1.951 482 HB ILE 59 HB ILE 59 0.862 5.682 1.108 483 HG12 ILE 59 2HG1 ILE 59 3.023 6.155 3.176 484 HG13 ILE 59 1HG1 ILE 59 3.100 6.562 1.465 485 HG21 ILE 59 1HG2 ILE 59 0.793 4.878 4.007 486 HG22 ILE 59 2HG2 ILE 59 -0.504 4.782 2.816 487 HG23 ILE 59 3HG2 ILE 59 0.040 6.354 3.401 488 HD11 ILE 59 3HD1 ILE 59 1.588 7.887 3.662 489 HD12 ILE 59 1HD1 ILE 59 1.013 8.014 2.000 490 HD13 ILE 59 2HD1 ILE 59 2.625 8.591 2.421 491 H PHE 60 H PHE 60 0.749 3.522 -0.314 492 HA PHE 60 HA PHE 60 2.900 4.229 -2.124 493 HB2 PHE 60 2HB PHE 60 2.747 2.020 -3.309 494 HB3 PHE 60 1HB PHE 60 3.488 1.942 -1.715 495 HD1 PHE 60 1HD PHE 60 0.101 1.651 -3.265 496 HD2 PHE 60 2HD PHE 60 2.844 0.228 -0.339 497 HE1 PHE 60 1HE PHE 60 -1.512 -0.081 -2.602 498 HE2 PHE 60 2HE PHE 60 1.234 -1.511 0.325 499 HZ PHE 60 HZ PHE 60 -0.947 -1.665 -0.813 500 HA PRO 61 HA PRO 61 -0.503 5.431 -4.667 501 HB2 PRO 61 2HB PRO 61 1.056 4.879 -7.078 502 HB3 PRO 61 1HB PRO 61 0.547 6.431 -6.411 503 HG2 PRO 61 2HG PRO 61 3.129 5.620 -6.413 504 HG3 PRO 61 1HG PRO 61 2.453 6.666 -5.152 505 HD2 PRO 61 2HD PRO 61 2.990 3.720 -5.088 506 HD3 PRO 61 1HD PRO 61 3.262 4.943 -3.830 507 H ALA 62 H ALA 62 -2.225 4.509 -5.652 508 HA ALA 62 HA ALA 62 -2.345 1.676 -5.881 509 HB1 ALA 62 1HB ALA 62 -4.211 3.416 -5.341 510 HB2 ALA 62 2HB ALA 62 -4.607 1.934 -6.213 511 HB3 ALA 62 3HB ALA 62 -4.414 3.450 -7.092 512 H SER 63 H SER 63 -1.184 4.023 -7.992 513 HA SER 63 HA SER 63 -2.029 3.302 -10.502 514 HB2 SER 63 2HB SER 63 0.877 3.868 -10.132 515 HB3 SER 63 1HB SER 63 -0.255 4.523 -11.317 516 HG SER 63 HG SER 63 -0.957 5.971 -9.877 517 H TYR 64 H TYR 64 0.039 1.498 -8.366 518 HA TYR 64 HA TYR 64 0.222 -0.590 -10.422 519 HB2 TYR 64 2HB TYR 64 2.543 -1.087 -9.732 520 HB3 TYR 64 1HB TYR 64 2.377 0.520 -10.433 521 HD1 TYR 64 2HD TYR 64 2.605 2.514 -9.042 522 HD2 TYR 64 1HD TYR 64 3.102 -1.377 -7.396 523 HE1 TYR 64 2HE TYR 64 3.668 3.496 -7.053 524 HE2 TYR 64 1HE TYR 64 4.164 -0.408 -5.404 525 HH TYR 64 HH TYR 64 4.444 1.574 -4.239 526 H ILE 65 H ILE 65 -1.674 -0.574 -8.408 527 HA ILE 65 HA ILE 65 -0.690 -2.738 -6.662 528 HB ILE 65 HB ILE 65 -2.894 -0.829 -5.901 529 HG12 ILE 65 2HG1 ILE 65 -0.769 0.401 -6.124 530 HG13 ILE 65 1HG1 ILE 65 -1.274 0.283 -4.442 531 HG21 ILE 65 1HG2 ILE 65 -1.245 -2.653 -4.166 532 HG22 ILE 65 2HG2 ILE 65 -2.792 -3.120 -4.872 533 HG23 ILE 65 3HG2 ILE 65 -2.714 -1.778 -3.731 534 HD11 ILE 65 3HD1 ILE 65 0.741 -1.550 -5.709 535 HD12 ILE 65 1HD1 ILE 65 0.349 -1.394 -3.996 536 HD13 ILE 65 2HD1 ILE 65 1.156 -0.073 -4.840 537 H HIS 66 H HIS 66 -1.686 -4.615 -6.917 538 HA HIS 66 HA HIS 66 -4.433 -4.633 -7.978 539 HB2 HIS 66 2HB HIS 66 -2.526 -5.276 -9.625 540 HB3 HIS 66 1HB HIS 66 -2.456 -6.776 -8.706 541 HD1 HIS 66 1HD HIS 66 -3.740 -5.746 -11.720 542 HD2 HIS 66 2HD HIS 66 -5.491 -7.642 -8.464 543 HE1 HIS 66 1HE HIS 66 -5.793 -6.881 -12.627 544 HE2 HIS 66 2HE HIS 66 -6.789 -8.093 -10.656 545 H LEU 67 H LEU 67 -5.778 -5.578 -6.607 546 HA LEU 67 HA LEU 67 -4.801 -7.153 -4.408 547 HB2 LEU 67 2HB LEU 67 -7.638 -6.547 -5.244 548 HB3 LEU 67 1HB LEU 67 -7.148 -7.247 -3.713 549 HG LEU 67 HG LEU 67 -6.339 -4.492 -4.642 550 HD11 LEU 67 1HD1 LEU 67 -8.694 -5.465 -3.090 551 HD12 LEU 67 2HD1 LEU 67 -8.597 -4.205 -4.323 552 HD13 LEU 67 3HD1 LEU 67 -7.978 -3.901 -2.699 553 HD21 LEU 67 3HD2 LEU 67 -6.339 -5.233 -1.794 554 HD22 LEU 67 1HD2 LEU 67 -5.186 -4.271 -2.720 555 HD23 LEU 67 2HD2 LEU 67 -5.121 -6.032 -2.790 556 H LYS 68 H LYS 68 -4.794 -9.311 -4.195 557 HA LYS 68 HA LYS 68 -5.742 -10.895 -6.471 558 HB2 LYS 68 2HB LYS 68 -3.872 -11.634 -4.213 559 HB3 LYS 68 1HB LYS 68 -4.309 -12.686 -5.551 560 HG2 LYS 68 2HG LYS 68 -3.204 -10.051 -6.277 561 HG3 LYS 68 1HG LYS 68 -2.094 -11.189 -5.512 562 HD2 LYS 68 2HD LYS 68 -3.322 -12.799 -7.315 563 HD3 LYS 68 1HD LYS 68 -3.340 -11.258 -8.174 564 HE2 LYS 68 2HE LYS 68 -0.875 -11.078 -7.623 565 HE3 LYS 68 1HE LYS 68 -0.963 -12.763 -7.109 566 HZ1 LYS 68 3HZ LYS 68 -1.715 -13.357 -9.331 567 HZ2 LYS 68 1HZ LYS 68 -0.214 -12.581 -9.393 568 HZ3 LYS 68 2HZ LYS 68 -1.617 -11.740 -9.821 569 H GLU 69 H GLU 69 -6.560 -13.135 -5.878 570 HA GLU 69 HA GLU 69 -8.850 -12.839 -4.209 571 HB2 GLU 69 2HB GLU 69 -9.162 -15.301 -4.716 572 HB3 GLU 69 1HB GLU 69 -9.097 -14.232 -6.110 573 HG2 GLU 69 2HG GLU 69 -7.234 -15.177 -6.907 574 HG3 GLU 69 1HG GLU 69 -6.506 -15.329 -5.309 575 H ALA 70 H ALA 70 -8.200 -12.461 -2.104 576 HA ALA 70 HA ALA 70 -6.357 -14.234 -0.773 577 HB1 ALA 70 1HB ALA 70 -6.702 -12.850 1.169 578 HB2 ALA 70 2HB ALA 70 -8.101 -12.081 0.417 579 HB3 ALA 70 3HB ALA 70 -6.488 -11.820 -0.247 580 H ILE 71 H ILE 71 -6.931 -16.173 -0.068 581 HA ILE 71 HA ILE 71 -9.631 -17.016 0.180 582 HB ILE 71 HB ILE 71 -7.223 -18.401 1.355 583 HG12 ILE 71 2HG1 ILE 71 -7.839 -19.603 -1.089 584 HG13 ILE 71 1HG1 ILE 71 -7.905 -17.875 -1.422 585 HG21 ILE 71 1HG2 ILE 71 -8.868 -20.341 0.460 586 HG22 ILE 71 2HG2 ILE 71 -10.044 -19.103 0.901 587 HG23 ILE 71 3HG2 ILE 71 -8.901 -19.702 2.103 588 HD11 ILE 71 3HD1 ILE 71 -5.651 -17.605 -0.580 589 HD12 ILE 71 1HD1 ILE 71 -5.696 -18.822 -1.854 590 HD13 ILE 71 2HD1 ILE 71 -5.582 -19.318 -0.166 591 H VAL 72 H VAL 72 -10.892 -17.365 1.969 592 HA VAL 72 HA VAL 72 -9.812 -16.551 4.577 593 HB VAL 72 HB VAL 72 -12.065 -15.475 5.038 594 HG11 VAL 72 1HG1 VAL 72 -10.449 -14.106 2.901 595 HG12 VAL 72 2HG1 VAL 72 -9.910 -14.270 4.572 596 HG13 VAL 72 3HG1 VAL 72 -11.376 -13.361 4.202 597 HG21 VAL 72 3HG2 VAL 72 -12.831 -16.565 2.693 598 HG22 VAL 72 1HG2 VAL 72 -12.401 -14.939 2.161 599 HG23 VAL 72 2HG2 VAL 72 -13.611 -15.162 3.424 600 H GLU 73 H GLU 73 -10.352 -19.174 3.418 601 HA GLU 73 HA GLU 73 -12.579 -20.074 5.120 602 HB2 GLU 73 2HB GLU 73 -11.477 -21.023 2.523 603 HB3 GLU 73 1HB GLU 73 -12.121 -22.236 3.621 604 HG2 GLU 73 2HG GLU 73 -14.087 -21.802 2.685 605 HG3 GLU 73 1HG GLU 73 -14.077 -20.321 3.642 606 H GLY 74 H GLY 74 -12.313 -22.008 6.360 607 HA2 GLY 74 2HA GLY 74 -11.157 -23.528 7.654 608 HA3 GLY 74 1HA GLY 74 -9.759 -23.272 6.620 Start of MODEL 4 1 H1 MET 1 1HT MET 1 -9.929 9.452 14.077 2 H2 MET 1 2HT MET 1 -10.712 9.212 12.568 3 H3 MET 1 3HT MET 1 -9.053 9.643 12.616 4 HA MET 1 HA MET 1 -8.373 7.618 13.245 5 HB2 MET 1 2HB MET 1 -10.033 5.954 14.233 6 HB3 MET 1 1HB MET 1 -9.620 7.340 15.232 7 HG2 MET 1 2HG MET 1 -11.808 8.258 13.895 8 HG3 MET 1 1HG MET 1 -12.182 6.546 14.076 9 HE1 MET 1 2HE MET 1 -12.752 5.993 17.747 10 HE2 MET 1 3HE MET 1 -11.735 5.324 16.473 11 HE3 MET 1 1HE MET 1 -13.428 5.689 16.148 12 H THR 2 H THR 2 -11.727 7.639 12.016 13 HA THR 2 HA THR 2 -10.877 5.781 9.903 14 HB THR 2 HB THR 2 -13.394 5.479 9.600 15 HG1 THR 2 1HG THR 2 -14.674 6.117 11.321 16 HG21 THR 2 3HG2 THR 2 -13.320 3.667 10.885 17 HG22 THR 2 1HG2 THR 2 -12.990 4.603 12.344 18 HG23 THR 2 2HG2 THR 2 -11.670 4.165 11.260 19 H ARG 3 H ARG 3 -10.298 8.597 9.812 20 HA ARG 3 HA ARG 3 -12.165 9.700 7.872 21 HB2 ARG 3 2HB ARG 3 -9.946 10.754 9.533 22 HB3 ARG 3 1HB ARG 3 -10.206 11.545 7.984 23 HG2 ARG 3 2HG ARG 3 -12.682 11.659 8.740 24 HG3 ARG 3 1HG ARG 3 -12.017 11.387 10.353 25 HD2 ARG 3 2HD ARG 3 -10.788 13.379 10.305 26 HD3 ARG 3 1HD ARG 3 -10.933 13.530 8.554 27 HE ARG 3 HE ARG 3 -13.461 13.640 9.894 28 HH11 ARG 3 1HH1 ARG 3 -10.670 15.513 8.955 29 HH12 ARG 3 2HH1 ARG 3 -11.525 17.018 8.951 30 HH21 ARG 3 1HH2 ARG 3 -14.588 15.618 9.891 31 HH22 ARG 3 2HH2 ARG 3 -13.749 17.078 9.485 32 H TRP 4 H TRP 4 -8.747 8.755 8.046 33 HA TRP 4 HA TRP 4 -8.507 9.067 5.151 34 HB2 TRP 4 2HB TRP 4 -6.750 9.881 6.850 35 HB3 TRP 4 1HB TRP 4 -6.304 8.186 7.003 36 HD1 TRP 4 HD TRP 4 -6.508 10.917 4.282 37 HE1 TRP 4 1HE TRP 4 -4.724 10.415 2.498 38 HE3 TRP 4 3HE TRP 4 -4.808 6.486 6.100 39 HZ2 TRP 4 2HZ TRP 4 -2.832 8.384 1.939 40 HZ3 TRP 4 3HZ TRP 4 -3.008 5.310 4.895 41 HH2 TRP 4 HH TRP 4 -2.042 6.247 2.852 42 H VAL 5 H VAL 5 -10.009 6.839 6.613 43 HA VAL 5 HA VAL 5 -8.676 4.635 5.187 44 HB VAL 5 HB VAL 5 -10.219 4.147 7.717 45 HG11 VAL 5 1HG1 VAL 5 -8.615 2.158 7.730 46 HG12 VAL 5 2HG1 VAL 5 -8.241 2.607 6.067 47 HG13 VAL 5 3HG1 VAL 5 -9.891 2.167 6.511 48 HG21 VAL 5 3HG2 VAL 5 -7.566 3.910 8.432 49 HG22 VAL 5 1HG2 VAL 5 -8.650 5.225 8.885 50 HG23 VAL 5 2HG2 VAL 5 -7.600 5.393 7.479 51 HA PRO 6 HA PRO 6 -13.012 4.707 3.736 52 HB2 PRO 6 2HB PRO 6 -12.533 4.723 1.123 53 HB3 PRO 6 1HB PRO 6 -12.290 6.187 2.084 54 HG2 PRO 6 2HG PRO 6 -10.272 4.241 1.050 55 HG3 PRO 6 1HG PRO 6 -10.178 6.007 1.144 56 HD2 PRO 6 2HD PRO 6 -9.062 4.226 2.979 57 HD3 PRO 6 1HD PRO 6 -9.369 5.947 3.269 58 H THR 7 H THR 7 -10.301 2.653 2.846 59 HA THR 7 HA THR 7 -11.530 0.654 1.407 60 HB THR 7 HB THR 7 -9.134 0.690 1.700 61 HG1 THR 7 1HG THR 7 -9.559 -1.352 1.308 62 HG21 THR 7 3HG2 THR 7 -8.685 -0.472 4.201 63 HG22 THR 7 1HG2 THR 7 -9.744 0.911 4.486 64 HG23 THR 7 2HG2 THR 7 -8.206 1.134 3.650 65 H LYS 8 H LYS 8 -13.321 -0.419 1.873 66 HA LYS 8 HA LYS 8 -13.637 -1.507 4.589 67 HB2 LYS 8 2HB LYS 8 -15.195 0.508 3.613 68 HB3 LYS 8 1HB LYS 8 -16.129 -0.904 3.134 69 HG2 LYS 8 2HG LYS 8 -15.264 -1.207 5.845 70 HG3 LYS 8 1HG LYS 8 -16.053 0.358 5.643 71 HD2 LYS 8 2HD LYS 8 -17.221 -2.277 4.754 72 HD3 LYS 8 1HD LYS 8 -17.616 -1.468 6.272 73 HE2 LYS 8 2HE LYS 8 -18.510 0.427 5.080 74 HE3 LYS 8 1HE LYS 8 -17.998 -0.256 3.538 75 HZ1 LYS 8 3HZ LYS 8 -20.291 -0.922 5.189 76 HZ2 LYS 8 1HZ LYS 8 -19.500 -2.236 4.474 77 HZ3 LYS 8 2HZ LYS 8 -20.111 -0.989 3.509 78 H ARG 9 H ARG 9 -13.723 -3.645 4.568 79 HA ARG 9 HA ARG 9 -14.079 -5.797 3.923 80 HB2 ARG 9 2HB ARG 9 -16.421 -4.934 3.626 81 HB3 ARG 9 1HB ARG 9 -16.046 -4.661 1.931 82 HG2 ARG 9 2HG ARG 9 -17.209 -6.725 2.096 83 HG3 ARG 9 1HG ARG 9 -15.523 -7.093 1.732 84 HD2 ARG 9 2HD ARG 9 -15.103 -7.611 4.063 85 HD3 ARG 9 1HD ARG 9 -16.757 -7.161 4.482 86 HE ARG 9 HE ARG 9 -17.098 -9.104 2.633 87 HH11 ARG 9 1HH1 ARG 9 -15.233 -8.917 5.577 88 HH12 ARG 9 2HH1 ARG 9 -15.359 -10.611 5.911 89 HH21 ARG 9 1HH2 ARG 9 -17.266 -11.331 3.073 90 HH22 ARG 9 2HH2 ARG 9 -16.514 -11.982 4.491 91 H GLU 10 H GLU 10 -11.844 -5.498 3.073 92 HA GLU 10 HA GLU 10 -11.641 -5.364 0.167 93 HB2 GLU 10 2HB GLU 10 -10.023 -4.390 2.112 94 HB3 GLU 10 1HB GLU 10 -9.222 -5.918 1.772 95 HG2 GLU 10 2HG GLU 10 -8.306 -4.056 0.468 96 HG3 GLU 10 1HG GLU 10 -8.982 -5.326 -0.549 97 H GLU 11 H GLU 11 -10.070 -6.972 -0.854 98 HA GLU 11 HA GLU 11 -11.137 -9.566 -0.590 99 HB2 GLU 11 2HB GLU 11 -9.765 -8.308 -2.531 100 HB3 GLU 11 1HB GLU 11 -8.463 -9.263 -1.837 101 HG2 GLU 11 2HG GLU 11 -9.146 -10.899 -3.171 102 HG3 GLU 11 1HG GLU 11 -10.507 -11.084 -2.064 103 H LYS 12 H LYS 12 -7.726 -8.634 -0.103 104 HA LYS 12 HA LYS 12 -7.466 -9.686 2.473 105 HB2 LYS 12 2HB LYS 12 -7.859 -11.762 0.818 106 HB3 LYS 12 1HB LYS 12 -6.117 -11.596 0.643 107 HG2 LYS 12 2HG LYS 12 -6.588 -13.201 2.359 108 HG3 LYS 12 1HG LYS 12 -5.893 -11.757 3.098 109 HD2 LYS 12 2HD LYS 12 -8.826 -11.765 2.905 110 HD3 LYS 12 1HD LYS 12 -8.148 -13.001 3.965 111 HE2 LYS 12 2HE LYS 12 -6.914 -10.379 4.308 112 HE3 LYS 12 1HE LYS 12 -8.643 -10.384 4.648 113 HZ1 LYS 12 3HZ LYS 12 -7.932 -11.049 6.662 114 HZ2 LYS 12 1HZ LYS 12 -6.467 -11.668 6.081 115 HZ3 LYS 12 2HZ LYS 12 -7.886 -12.578 5.940 116 H TYR 13 H TYR 13 -5.472 -10.044 -0.466 117 HA TYR 13 HA TYR 13 -3.563 -8.130 0.692 118 HB2 TYR 13 2HB TYR 13 -2.507 -10.456 -0.856 119 HB3 TYR 13 1HB TYR 13 -1.731 -9.506 0.404 120 HD1 TYR 13 1HD TYR 13 -2.103 -10.021 2.760 121 HD2 TYR 13 2HD TYR 13 -3.935 -12.334 -0.306 122 HE1 TYR 13 1HE TYR 13 -2.635 -11.770 4.404 123 HE2 TYR 13 2HE TYR 13 -4.474 -14.088 1.330 124 HH TYR 13 HH TYR 13 -4.363 -13.629 4.623 125 H GLY 14 H GLY 14 -1.778 -7.712 -1.116 126 HA2 GLY 14 2HA GLY 14 -2.905 -7.647 -3.794 127 HA3 GLY 14 1HA GLY 14 -2.709 -6.080 -3.022 128 H VAL 15 H VAL 15 -1.386 -7.453 -5.383 129 HA VAL 15 HA VAL 15 1.397 -7.490 -4.480 130 HB VAL 15 HB VAL 15 0.272 -8.154 -7.204 131 HG11 VAL 15 1HG1 VAL 15 2.509 -9.267 -7.489 132 HG12 VAL 15 2HG1 VAL 15 3.029 -8.438 -6.023 133 HG13 VAL 15 3HG1 VAL 15 2.549 -7.504 -7.441 134 HG21 VAL 15 3HG2 VAL 15 -0.509 -9.945 -6.067 135 HG22 VAL 15 1HG2 VAL 15 0.635 -9.738 -4.741 136 HG23 VAL 15 2HG2 VAL 15 1.155 -10.501 -6.243 137 H ALA 16 H ALA 16 2.983 -6.145 -5.330 138 HA ALA 16 HA ALA 16 2.012 -3.838 -6.886 139 HB1 ALA 16 1HB ALA 16 4.236 -3.245 -5.097 140 HB2 ALA 16 2HB ALA 16 2.765 -3.723 -4.250 141 HB3 ALA 16 3HB ALA 16 2.734 -2.361 -5.371 142 H PHE 17 H PHE 17 3.082 -3.566 -8.739 143 HA PHE 17 HA PHE 17 5.780 -4.728 -8.955 144 HB2 PHE 17 2HB PHE 17 5.043 -4.364 -11.546 145 HB3 PHE 17 1HB PHE 17 4.814 -5.864 -10.656 146 HD1 PHE 17 2HD PHE 17 3.063 -2.620 -11.251 147 HD2 PHE 17 1HD PHE 17 2.736 -6.826 -10.692 148 HE1 PHE 17 2HE PHE 17 0.639 -2.480 -11.647 149 HE2 PHE 17 1HE PHE 17 0.311 -6.693 -11.088 150 HZ PHE 17 HZ PHE 17 -0.741 -4.519 -11.566 151 H TYR 18 H TYR 18 6.935 -2.954 -8.274 152 HA TYR 18 HA TYR 18 7.389 -0.937 -10.254 153 HB2 TYR 18 2HB TYR 18 5.427 -0.340 -8.379 154 HB3 TYR 18 1HB TYR 18 6.863 0.459 -7.750 155 HD1 TYR 18 2HD TYR 18 4.766 0.137 -10.804 156 HD2 TYR 18 1HD TYR 18 7.563 2.507 -8.647 157 HE1 TYR 18 2HE TYR 18 4.422 1.978 -12.395 158 HE2 TYR 18 1HE TYR 18 7.227 4.357 -10.231 159 HH TYR 18 HH TYR 18 4.684 4.362 -12.538 160 H ASN 19 H ASN 19 9.016 0.739 -9.323 161 HA ASN 19 HA ASN 19 10.921 -0.701 -7.591 162 HB2 ASN 19 2HB ASN 19 11.450 1.124 -9.945 163 HB3 ASN 19 1HB ASN 19 12.701 0.610 -8.816 164 HD21 ASN 19 1HD2 ASN 19 11.155 -0.078 -11.674 165 HD22 ASN 19 2HD2 ASN 19 11.666 -1.716 -11.871 166 H TYR 20 H TYR 20 9.193 0.649 -6.198 167 HA TYR 20 HA TYR 20 9.976 3.416 -5.846 168 HB2 TYR 20 2HB TYR 20 7.598 2.646 -5.674 169 HB3 TYR 20 1HB TYR 20 8.035 1.779 -4.205 170 HD1 TYR 20 2HD TYR 20 9.161 5.156 -5.280 171 HD2 TYR 20 1HD TYR 20 6.794 2.896 -2.563 172 HE1 TYR 20 2HE TYR 20 8.741 7.190 -3.963 173 HE2 TYR 20 1HE TYR 20 6.366 4.922 -1.239 174 HH TYR 20 HH TYR 20 6.355 7.527 -1.809 175 H ASP 21 H ASP 21 10.879 4.302 -3.995 176 HA ASP 21 HA ASP 21 12.103 2.397 -2.111 177 HB2 ASP 21 2HB ASP 21 13.588 3.645 -3.947 178 HB3 ASP 21 1HB ASP 21 13.537 4.931 -2.746 179 H ALA 22 H ALA 22 12.346 3.120 0.030 180 HA ALA 22 HA ALA 22 10.536 5.314 0.725 181 HB1 ALA 22 1HB ALA 22 11.270 2.786 1.963 182 HB2 ALA 22 2HB ALA 22 9.822 3.772 2.165 183 HB3 ALA 22 3HB ALA 22 11.273 4.138 3.097 184 H ARG 23 H ARG 23 11.114 6.949 2.175 185 HA ARG 23 HA ARG 23 14.014 7.432 2.345 186 HB2 ARG 23 2HB ARG 23 11.676 9.191 1.861 187 HB3 ARG 23 1HB ARG 23 12.967 9.859 2.849 188 HG2 ARG 23 2HG ARG 23 14.064 8.578 0.525 189 HG3 ARG 23 1HG ARG 23 12.828 9.747 0.058 190 HD2 ARG 23 2HD ARG 23 14.291 11.385 0.374 191 HD3 ARG 23 1HD ARG 23 14.385 10.955 2.081 192 HE ARG 23 HE ARG 23 16.423 9.994 1.692 193 HH11 ARG 23 1HH1 ARG 23 14.811 10.483 -1.365 194 HH12 ARG 23 2HH1 ARG 23 16.196 10.045 -2.307 195 HH21 ARG 23 1HH2 ARG 23 18.246 9.420 0.454 196 HH22 ARG 23 2HH2 ARG 23 18.146 9.443 -1.274 197 H GLY 24 H GLY 24 11.148 6.921 4.174 198 HA2 GLY 24 2HA GLY 24 12.684 7.069 6.632 199 HA3 GLY 24 1HA GLY 24 11.363 8.221 6.510 200 H ALA 25 H ALA 25 10.696 7.004 8.484 201 HA ALA 25 HA ALA 25 9.760 4.323 8.238 202 HB1 ALA 25 1HB ALA 25 9.059 6.399 10.312 203 HB2 ALA 25 2HB ALA 25 10.434 5.297 10.389 204 HB3 ALA 25 3HB ALA 25 8.790 4.660 10.440 205 H ASP 26 H ASP 26 8.347 7.474 7.729 206 HA ASP 26 HA ASP 26 5.632 6.774 7.819 207 HB2 ASP 26 2HB ASP 26 7.030 9.098 7.411 208 HB3 ASP 26 1HB ASP 26 6.334 8.811 5.821 209 H GLU 27 H GLU 27 8.050 6.391 5.330 210 HA GLU 27 HA GLU 27 5.998 5.246 3.549 211 HB2 GLU 27 2HB GLU 27 8.463 6.831 3.024 212 HB3 GLU 27 1HB GLU 27 8.029 5.588 1.858 213 HG2 GLU 27 2HG GLU 27 6.185 6.699 1.142 214 HG3 GLU 27 1HG GLU 27 5.898 7.457 2.708 215 H LEU 28 H LEU 28 7.082 3.607 1.965 216 HA LEU 28 HA LEU 28 9.105 1.964 3.265 217 HB2 LEU 28 2HB LEU 28 6.894 1.204 4.128 218 HB3 LEU 28 1HB LEU 28 6.420 0.831 2.482 219 HG LEU 28 HG LEU 28 8.934 -0.442 3.235 220 HD11 LEU 28 1HD1 LEU 28 7.529 -2.185 4.598 221 HD12 LEU 28 2HD1 LEU 28 6.531 -0.777 4.960 222 HD13 LEU 28 3HD1 LEU 28 8.240 -0.780 5.392 223 HD21 LEU 28 3HD2 LEU 28 8.177 -1.587 1.480 224 HD22 LEU 28 1HD2 LEU 28 6.542 -0.958 1.673 225 HD23 LEU 28 2HD2 LEU 28 7.060 -2.369 2.596 226 H SER 29 H SER 29 10.424 1.002 1.833 227 HA SER 29 HA SER 29 10.299 1.678 -0.898 228 HB2 SER 29 2HB SER 29 12.390 1.133 0.390 229 HB3 SER 29 1HB SER 29 11.918 -0.565 0.326 230 HG SER 29 HG SER 29 11.834 -0.196 -2.044 231 H LEU 30 H LEU 30 9.140 0.826 -2.487 232 HA LEU 30 HA LEU 30 7.983 -1.846 -2.102 233 HB2 LEU 30 2HB LEU 30 6.799 0.545 -2.833 234 HB3 LEU 30 1HB LEU 30 6.965 -0.304 -4.358 235 HG LEU 30 HG LEU 30 4.823 -0.864 -3.575 236 HD11 LEU 30 1HD1 LEU 30 4.903 -3.233 -3.218 237 HD12 LEU 30 2HD1 LEU 30 6.574 -3.138 -2.661 238 HD13 LEU 30 3HD1 LEU 30 6.185 -2.790 -4.345 239 HD21 LEU 30 3HD2 LEU 30 5.678 -0.171 -1.125 240 HD22 LEU 30 1HD2 LEU 30 5.642 -1.926 -0.951 241 HD23 LEU 30 2HD2 LEU 30 4.182 -1.057 -1.421 242 H GLN 31 H GLN 31 8.335 -3.470 -3.528 243 HA GLN 31 HA GLN 31 9.922 -2.880 -5.930 244 HB2 GLN 31 2HB GLN 31 10.521 -4.850 -3.750 245 HB3 GLN 31 1HB GLN 31 11.051 -5.173 -5.396 246 HG2 GLN 31 2HG GLN 31 11.830 -2.550 -4.904 247 HG3 GLN 31 1HG GLN 31 12.176 -3.416 -3.407 248 HE21 GLN 31 1HE2 GLN 31 14.367 -3.421 -3.586 249 HE22 GLN 31 2HE2 GLN 31 15.226 -4.280 -4.814 250 H ILE 32 H ILE 32 9.775 -4.506 -7.601 251 HA ILE 32 HA ILE 32 7.128 -5.446 -7.965 252 HB ILE 32 HB ILE 32 9.574 -6.255 -9.537 253 HG12 ILE 32 2HG1 ILE 32 7.742 -4.130 -10.513 254 HG13 ILE 32 1HG1 ILE 32 8.830 -3.694 -9.200 255 HG21 ILE 32 1HG2 ILE 32 6.675 -6.673 -9.848 256 HG22 ILE 32 2HG2 ILE 32 8.032 -7.644 -10.419 257 HG23 ILE 32 3HG2 ILE 32 7.547 -6.199 -11.307 258 HD11 ILE 32 3HD1 ILE 32 9.862 -5.025 -11.669 259 HD12 ILE 32 1HD1 ILE 32 10.722 -4.030 -10.494 260 HD13 ILE 32 2HD1 ILE 32 9.582 -3.283 -11.613 261 H GLY 33 H GLY 33 6.247 -7.462 -7.848 262 HA2 GLY 33 2HA GLY 33 6.182 -9.773 -7.512 263 HA3 GLY 33 1HA GLY 33 7.912 -9.754 -7.207 264 H ASP 34 H ASP 34 6.713 -7.325 -5.364 265 HA ASP 34 HA ASP 34 6.714 -9.019 -2.987 266 HB2 ASP 34 2HB ASP 34 7.101 -6.083 -3.475 267 HB3 ASP 34 1HB ASP 34 6.707 -6.672 -1.864 268 H THR 35 H THR 35 5.020 -9.212 -1.601 269 HA THR 35 HA THR 35 2.438 -8.242 -2.562 270 HB THR 35 HB THR 35 2.921 -10.090 -0.225 271 HG1 THR 35 1HG THR 35 3.644 -11.430 -1.664 272 HG21 THR 35 3HG2 THR 35 0.721 -10.104 -0.067 273 HG22 THR 35 1HG2 THR 35 0.638 -10.801 -1.684 274 HG23 THR 35 2HG2 THR 35 0.572 -9.051 -1.473 275 H VAL 36 H VAL 36 0.977 -7.113 -1.192 276 HA VAL 36 HA VAL 36 2.122 -5.979 1.255 277 HB VAL 36 HB VAL 36 1.344 -3.719 0.625 278 HG11 VAL 36 1HG1 VAL 36 3.622 -3.915 0.341 279 HG12 VAL 36 2HG1 VAL 36 3.105 -3.425 -1.272 280 HG13 VAL 36 3HG1 VAL 36 3.466 -5.118 -0.938 281 HG21 VAL 36 3HG2 VAL 36 0.765 -3.204 -1.669 282 HG22 VAL 36 1HG2 VAL 36 -0.340 -4.422 -1.029 283 HG23 VAL 36 2HG2 VAL 36 0.960 -4.897 -2.124 284 H HIS 37 H HIS 37 0.675 -5.485 2.836 285 HA HIS 37 HA HIS 37 -2.096 -6.312 2.352 286 HB2 HIS 37 2HB HIS 37 -0.759 -7.365 4.223 287 HB3 HIS 37 1HB HIS 37 -0.754 -5.793 5.014 288 HD1 HIS 37 1HD HIS 37 -3.141 -8.518 3.941 289 HD2 HIS 37 2HD HIS 37 -3.027 -5.197 6.436 290 HE1 HIS 37 1HE HIS 37 -5.272 -8.604 5.272 291 HE2 HIS 37 2HE HIS 37 -5.226 -6.530 6.704 292 H ILE 38 H ILE 38 -3.327 -4.654 1.735 293 HA ILE 38 HA ILE 38 -2.755 -1.948 2.391 294 HB ILE 38 HB ILE 38 -5.339 -3.042 1.287 295 HG12 ILE 38 2HG1 ILE 38 -2.805 -2.199 -0.138 296 HG13 ILE 38 1HG1 ILE 38 -3.479 -3.824 -0.076 297 HG21 ILE 38 1HG2 ILE 38 -5.302 -0.684 2.144 298 HG22 ILE 38 2HG2 ILE 38 -5.711 -0.849 0.435 299 HG23 ILE 38 3HG2 ILE 38 -4.095 -0.326 0.908 300 HD11 ILE 38 3HD1 ILE 38 -5.561 -2.480 -1.121 301 HD12 ILE 38 1HD1 ILE 38 -4.304 -3.261 -2.079 302 HD13 ILE 38 2HD1 ILE 38 -4.215 -1.530 -1.751 303 H LEU 39 H LEU 39 -2.964 -1.196 4.377 304 HA LEU 39 HA LEU 39 -5.109 -2.151 6.108 305 HB2 LEU 39 2HB LEU 39 -2.921 -2.062 7.102 306 HB3 LEU 39 1HB LEU 39 -2.699 -0.401 6.595 307 HG LEU 39 HG LEU 39 -3.203 -0.821 9.055 308 HD11 LEU 39 1HD1 LEU 39 -5.273 1.042 8.129 309 HD12 LEU 39 2HD1 LEU 39 -3.667 1.311 7.452 310 HD13 LEU 39 3HD1 LEU 39 -3.898 1.306 9.202 311 HD21 LEU 39 3HD2 LEU 39 -4.959 -2.424 8.907 312 HD22 LEU 39 1HD2 LEU 39 -5.921 -1.363 7.881 313 HD23 LEU 39 2HD2 LEU 39 -5.648 -0.942 9.571 314 H GLU 40 H GLU 40 -3.913 0.833 4.642 315 HA GLU 40 HA GLU 40 -6.522 2.074 5.212 316 HB2 GLU 40 2HB GLU 40 -3.919 2.963 5.980 317 HB3 GLU 40 1HB GLU 40 -4.565 4.099 4.803 318 HG2 GLU 40 2HG GLU 40 -6.234 4.795 6.176 319 HG3 GLU 40 1HG GLU 40 -6.348 3.244 7.008 320 H THR 41 H THR 41 -7.017 3.898 3.661 321 HA THR 41 HA THR 41 -5.781 3.633 1.038 322 HB THR 41 HB THR 41 -8.647 2.914 1.642 323 HG1 THR 41 1HG THR 41 -6.503 1.641 0.312 324 HG21 THR 41 3HG2 THR 41 -8.780 4.421 -0.246 325 HG22 THR 41 1HG2 THR 41 -9.071 2.759 -0.757 326 HG23 THR 41 2HG2 THR 41 -7.513 3.520 -1.077 327 H TYR 42 H TYR 42 -6.749 5.275 -0.527 328 HA TYR 42 HA TYR 42 -8.309 7.427 0.377 329 HB2 TYR 42 2HB TYR 42 -5.993 7.609 1.654 330 HB3 TYR 42 1HB TYR 42 -5.480 8.346 0.140 331 HD1 TYR 42 1HD TYR 42 -8.334 8.573 2.550 332 HD2 TYR 42 2HD TYR 42 -5.644 10.640 -0.015 333 HE1 TYR 42 1HE TYR 42 -9.298 10.715 3.275 334 HE2 TYR 42 2HE TYR 42 -6.599 12.788 0.704 335 HH TYR 42 HH TYR 42 -8.668 13.073 3.389 336 H GLU 43 H GLU 43 -8.058 5.813 -1.961 337 HA GLU 43 HA GLU 43 -8.147 5.994 -4.226 338 HB2 GLU 43 2HB GLU 43 -8.866 8.608 -3.200 339 HB3 GLU 43 1HB GLU 43 -8.075 8.741 -4.764 340 HG2 GLU 43 2HG GLU 43 -10.391 8.594 -5.178 341 HG3 GLU 43 1HG GLU 43 -9.696 7.036 -5.623 342 H GLY 44 H GLY 44 -6.229 5.205 -4.919 343 HA2 GLY 44 2HA GLY 44 -4.110 5.208 -5.816 344 HA3 GLY 44 1HA GLY 44 -4.365 6.917 -6.144 345 H TRP 45 H TRP 45 -4.580 5.678 -2.919 346 HA TRP 45 HA TRP 45 -1.869 6.197 -2.186 347 HB2 TRP 45 2HB TRP 45 -3.169 8.477 -2.438 348 HB3 TRP 45 1HB TRP 45 -3.843 8.030 -0.880 349 HD1 TRP 45 HD TRP 45 -2.641 10.306 -0.011 350 HE1 TRP 45 1HE TRP 45 -0.258 10.712 0.856 351 HE3 TRP 45 3HE TRP 45 -0.338 6.111 -1.870 352 HZ2 TRP 45 2HZ TRP 45 2.247 9.449 0.770 353 HZ3 TRP 45 3HZ TRP 45 2.057 5.804 -1.428 354 HH2 TRP 45 HH TRP 45 3.321 7.437 -0.132 355 H TYR 46 H TYR 46 -1.957 4.157 -1.239 356 HA TYR 46 HA TYR 46 -3.794 3.901 1.054 357 HB2 TYR 46 2HB TYR 46 -2.620 1.493 -0.278 358 HB3 TYR 46 1HB TYR 46 -4.132 1.653 0.602 359 HD1 TYR 46 1HD TYR 46 -5.243 4.045 -0.865 360 HD2 TYR 46 2HD TYR 46 -3.371 0.495 -2.270 361 HE1 TYR 46 1HE TYR 46 -6.463 4.252 -2.991 362 HE2 TYR 46 2HE TYR 46 -4.585 0.690 -4.400 363 HH TYR 46 HH TYR 46 -6.852 1.831 -5.129 364 H ARG 47 H ARG 47 -3.028 2.855 2.925 365 HA ARG 47 HA ARG 47 -0.089 2.811 3.160 366 HB2 ARG 47 2HB ARG 47 -1.160 4.632 4.446 367 HB3 ARG 47 1HB ARG 47 -2.123 3.439 5.308 368 HG2 ARG 47 2HG ARG 47 0.468 2.555 5.660 369 HG3 ARG 47 1HG ARG 47 0.602 4.311 5.764 370 HD2 ARG 47 2HD ARG 47 -1.633 3.818 7.256 371 HD3 ARG 47 1HD ARG 47 -0.641 2.402 7.603 372 HE ARG 47 HE ARG 47 0.761 4.909 7.812 373 HH11 ARG 47 1HH1 ARG 47 -1.195 2.560 9.495 374 HH12 ARG 47 2HH1 ARG 47 -0.622 3.022 11.063 375 HH21 ARG 47 1HH2 ARG 47 1.515 5.519 9.872 376 HH22 ARG 47 2HH2 ARG 47 0.915 4.702 11.277 377 H GLY 48 H GLY 48 0.393 0.688 2.931 378 HA2 GLY 48 2HA GLY 48 -0.848 -1.145 4.881 379 HA3 GLY 48 1HA GLY 48 -0.651 -1.622 3.202 380 H TYR 49 H TYR 49 0.416 -3.207 5.110 381 HA TYR 49 HA TYR 49 3.291 -2.569 5.087 382 HB2 TYR 49 2HB TYR 49 3.478 -4.206 6.951 383 HB3 TYR 49 1HB TYR 49 2.440 -2.837 7.337 384 HD1 TYR 49 2HD TYR 49 -0.037 -3.142 7.353 385 HD2 TYR 49 1HD TYR 49 2.634 -6.425 6.932 386 HE1 TYR 49 2HE TYR 49 -1.850 -4.687 7.964 387 HE2 TYR 49 1HE TYR 49 0.830 -7.980 7.542 388 HH TYR 49 HH TYR 49 -1.590 -8.074 7.574 389 H THR 50 H THR 50 4.737 -3.958 4.190 390 HA THR 50 HA THR 50 3.797 -5.826 2.274 391 HB THR 50 HB THR 50 6.491 -6.393 2.649 392 HG1 THR 50 1HG THR 50 7.486 -4.498 3.087 393 HG21 THR 50 3HG2 THR 50 6.665 -5.702 0.549 394 HG22 THR 50 1HG2 THR 50 6.082 -4.085 0.940 395 HG23 THR 50 2HG2 THR 50 4.933 -5.387 0.628 396 H LEU 51 H LEU 51 4.024 -8.080 2.211 397 HA LEU 51 HA LEU 51 3.442 -9.430 4.609 398 HB2 LEU 51 2HB LEU 51 4.030 -10.226 1.808 399 HB3 LEU 51 1HB LEU 51 4.164 -11.466 3.039 400 HG LEU 51 HG LEU 51 1.954 -11.411 1.907 401 HD11 LEU 51 1HD1 LEU 51 1.617 -12.481 3.856 402 HD12 LEU 51 2HD1 LEU 51 0.722 -11.020 4.273 403 HD13 LEU 51 3HD1 LEU 51 2.391 -11.216 4.809 404 HD21 LEU 51 3HD2 LEU 51 1.709 -8.742 3.288 405 HD22 LEU 51 1HD2 LEU 51 0.389 -9.608 2.500 406 HD23 LEU 51 2HD2 LEU 51 1.755 -9.022 1.548 407 H ARG 52 H ARG 52 6.436 -9.004 2.805 408 HA ARG 52 HA ARG 52 7.962 -10.827 4.384 409 HB2 ARG 52 2HB ARG 52 9.911 -9.831 3.257 410 HB3 ARG 52 1HB ARG 52 8.649 -10.277 2.117 411 HG2 ARG 52 2HG ARG 52 9.143 -8.228 1.298 412 HG3 ARG 52 1HG ARG 52 7.942 -7.748 2.499 413 HD2 ARG 52 2HD ARG 52 9.537 -6.333 3.203 414 HD3 ARG 52 1HD ARG 52 10.207 -7.760 3.995 415 HE ARG 52 HE ARG 52 12.000 -7.568 2.615 416 HH11 ARG 52 1HH1 ARG 52 9.263 -6.099 1.025 417 HH12 ARG 52 2HH1 ARG 52 10.178 -5.590 -0.354 418 HH21 ARG 52 1HH2 ARG 52 13.206 -6.898 0.803 419 HH22 ARG 52 2HH2 ARG 52 12.416 -6.046 -0.481 420 H LYS 53 H LYS 53 7.159 -7.439 4.609 421 HA LYS 53 HA LYS 53 8.780 -7.268 7.066 422 HB2 LYS 53 2HB LYS 53 8.458 -5.379 4.803 423 HB3 LYS 53 1HB LYS 53 8.485 -4.671 6.412 424 HG2 LYS 53 2HG LYS 53 10.662 -5.299 6.802 425 HG3 LYS 53 1HG LYS 53 10.599 -6.626 5.640 426 HD2 LYS 53 2HD LYS 53 11.833 -5.149 4.422 427 HD3 LYS 53 1HD LYS 53 10.220 -4.611 3.947 428 HE2 LYS 53 2HE LYS 53 11.457 -3.410 6.372 429 HE3 LYS 53 1HE LYS 53 12.062 -2.912 4.792 430 HZ1 LYS 53 3HZ LYS 53 9.491 -2.387 6.045 431 HZ2 LYS 53 1HZ LYS 53 9.449 -2.711 4.384 432 HZ3 LYS 53 2HZ LYS 53 10.389 -1.434 4.974 433 H LYS 54 H LYS 54 6.793 -8.168 8.044 434 HA LYS 54 HA LYS 54 4.451 -6.492 8.144 435 HB2 LYS 54 2HB LYS 54 5.249 -9.074 9.455 436 HB3 LYS 54 1HB LYS 54 3.807 -8.210 9.968 437 HG2 LYS 54 2HG LYS 54 3.199 -8.252 7.445 438 HG3 LYS 54 1HG LYS 54 4.376 -9.565 7.372 439 HD2 LYS 54 2HD LYS 54 3.046 -10.500 9.409 440 HD3 LYS 54 1HD LYS 54 1.766 -9.434 8.826 441 HE2 LYS 54 2HE LYS 54 1.464 -11.637 7.892 442 HE3 LYS 54 1HE LYS 54 1.918 -10.513 6.613 443 HZ1 LYS 54 3HZ LYS 54 4.106 -11.918 7.908 444 HZ2 LYS 54 1HZ LYS 54 3.872 -11.548 6.274 445 HZ3 LYS 54 2HZ LYS 54 3.078 -12.872 6.964 446 H SER 55 H SER 55 7.401 -6.197 9.567 447 HA SER 55 HA SER 55 6.530 -5.471 12.221 448 HB2 SER 55 2HB SER 55 8.805 -5.166 12.740 449 HB3 SER 55 1HB SER 55 8.806 -6.492 11.577 450 HG SER 55 HG SER 55 9.618 -5.184 10.054 451 H LYS 56 H LYS 56 7.273 -3.858 9.212 452 HA LYS 56 HA LYS 56 6.629 -1.285 10.498 453 HB2 LYS 56 2HB LYS 56 9.017 -1.892 9.337 454 HB3 LYS 56 1HB LYS 56 8.153 -1.182 7.980 455 HG2 LYS 56 2HG LYS 56 8.363 0.877 8.794 456 HG3 LYS 56 1HG LYS 56 7.856 0.379 10.408 457 HD2 LYS 56 2HD LYS 56 10.213 -0.634 10.609 458 HD3 LYS 56 1HD LYS 56 10.608 0.369 9.211 459 HE2 LYS 56 2HE LYS 56 11.209 1.620 11.131 460 HE3 LYS 56 1HE LYS 56 9.721 2.334 10.512 461 HZ1 LYS 56 3HZ LYS 56 10.180 0.836 12.976 462 HZ2 LYS 56 1HZ LYS 56 8.686 0.621 12.212 463 HZ3 LYS 56 2HZ LYS 56 9.176 2.166 12.692 464 H LYS 57 H LYS 57 5.475 0.251 9.223 465 HA LYS 57 HA LYS 57 3.900 -0.982 7.058 466 HB2 LYS 57 2HB LYS 57 2.833 -0.235 9.359 467 HB3 LYS 57 1HB LYS 57 2.873 1.356 8.608 468 HG2 LYS 57 2HG LYS 57 1.422 0.696 6.882 469 HG3 LYS 57 1HG LYS 57 1.629 -1.017 7.256 470 HD2 LYS 57 2HD LYS 57 0.600 0.649 9.457 471 HD3 LYS 57 1HD LYS 57 -0.478 0.472 8.070 472 HE2 LYS 57 2HE LYS 57 -0.854 -1.714 8.478 473 HE3 LYS 57 1HE LYS 57 0.805 -2.008 8.995 474 HZ1 LYS 57 3HZ LYS 57 0.308 -1.067 11.131 475 HZ2 LYS 57 1HZ LYS 57 -0.831 -2.272 10.792 476 HZ3 LYS 57 2HZ LYS 57 -1.254 -0.641 10.641 477 H GLY 58 H GLY 58 3.210 0.424 5.326 478 HA2 GLY 58 2HA GLY 58 4.532 3.014 5.117 479 HA3 GLY 58 1HA GLY 58 5.044 1.790 3.968 480 H ILE 59 H ILE 59 4.193 3.787 2.678 481 HA ILE 59 HA ILE 59 1.399 3.199 1.954 482 HB ILE 59 HB ILE 59 1.314 5.653 1.202 483 HG12 ILE 59 2HG1 ILE 59 3.691 5.727 3.078 484 HG13 ILE 59 1HG1 ILE 59 3.671 6.189 1.380 485 HG21 ILE 59 1HG2 ILE 59 -0.094 5.556 2.924 486 HG22 ILE 59 2HG2 ILE 59 1.225 6.165 3.923 487 HG23 ILE 59 3HG2 ILE 59 0.938 4.430 3.803 488 HD11 ILE 59 3HD1 ILE 59 3.376 8.266 2.094 489 HD12 ILE 59 1HD1 ILE 59 3.005 7.732 3.732 490 HD13 ILE 59 2HD1 ILE 59 1.731 7.788 2.514 491 H PHE 60 H PHE 60 0.854 3.536 -0.278 492 HA PHE 60 HA PHE 60 2.927 4.082 -2.194 493 HB2 PHE 60 2HB PHE 60 2.731 1.854 -3.319 494 HB3 PHE 60 1HB PHE 60 3.522 1.794 -1.749 495 HD1 PHE 60 2HD PHE 60 0.103 1.478 -3.214 496 HD2 PHE 60 1HD PHE 60 2.896 0.130 -0.299 497 HE1 PHE 60 2HE PHE 60 -1.499 -0.235 -2.477 498 HE2 PHE 60 1HE PHE 60 1.298 -1.588 0.440 499 HZ PHE 60 HZ PHE 60 -0.903 -1.771 -0.650 500 HA PRO 61 HA PRO 61 -0.678 5.109 -4.541 501 HB2 PRO 61 2HB PRO 61 0.357 5.356 -6.998 502 HB3 PRO 61 1HB PRO 61 0.801 6.467 -5.698 503 HG2 PRO 61 2HG PRO 61 2.304 4.126 -6.787 504 HG3 PRO 61 1HG PRO 61 2.912 5.717 -6.303 505 HD2 PRO 61 2HD PRO 61 3.047 3.452 -4.735 506 HD3 PRO 61 1HD PRO 61 3.081 5.112 -4.107 507 H ALA 62 H ALA 62 -2.302 4.152 -5.673 508 HA ALA 62 HA ALA 62 -2.225 1.348 -6.091 509 HB1 ALA 62 1HB ALA 62 -4.394 2.770 -7.435 510 HB2 ALA 62 2HB ALA 62 -4.201 3.197 -5.737 511 HB3 ALA 62 3HB ALA 62 -4.452 1.514 -6.199 512 H SER 63 H SER 63 -1.114 3.872 -8.020 513 HA SER 63 HA SER 63 -1.812 3.274 -10.595 514 HB2 SER 63 2HB SER 63 0.372 4.236 -11.263 515 HB3 SER 63 1HB SER 63 -0.440 5.201 -10.032 516 HG SER 63 HG SER 63 1.836 4.804 -9.648 517 H TYR 64 H TYR 64 0.232 1.383 -8.501 518 HA TYR 64 HA TYR 64 0.581 -0.521 -10.709 519 HB2 TYR 64 2HB TYR 64 2.865 -1.031 -9.927 520 HB3 TYR 64 1HB TYR 64 2.703 0.632 -10.479 521 HD1 TYR 64 2HD TYR 64 2.936 -1.502 -7.460 522 HD2 TYR 64 1HD TYR 64 3.159 2.446 -9.029 523 HE1 TYR 64 2HE TYR 64 3.856 -0.712 -5.323 524 HE2 TYR 64 1HE TYR 64 4.083 3.246 -6.897 525 HH TYR 64 HH TYR 64 5.460 1.485 -4.711 526 H ILE 65 H ILE 65 -1.251 -0.373 -8.349 527 HA ILE 65 HA ILE 65 -0.375 -2.777 -6.900 528 HB ILE 65 HB ILE 65 -2.643 -0.916 -6.184 529 HG12 ILE 65 2HG1 ILE 65 -0.528 0.270 -6.015 530 HG13 ILE 65 1HG1 ILE 65 -1.124 -0.100 -4.401 531 HG21 ILE 65 1HG2 ILE 65 -2.300 -2.069 -3.928 532 HG22 ILE 65 2HG2 ILE 65 -1.394 -3.285 -4.828 533 HG23 ILE 65 3HG2 ILE 65 -3.093 -2.994 -5.203 534 HD11 ILE 65 3HD1 ILE 65 1.387 -0.701 -5.520 535 HD12 ILE 65 1HD1 ILE 65 0.549 -2.231 -5.263 536 HD13 ILE 65 2HD1 ILE 65 0.774 -1.114 -3.920 537 H HIS 66 H HIS 66 -1.696 -4.577 -6.715 538 HA HIS 66 HA HIS 66 -4.216 -4.652 -8.163 539 HB2 HIS 66 2HB HIS 66 -2.455 -5.200 -9.845 540 HB3 HIS 66 1HB HIS 66 -1.974 -6.566 -8.844 541 HD1 HIS 66 1HD HIS 66 -4.675 -5.406 -11.155 542 HD2 HIS 66 2HD HIS 66 -3.682 -8.781 -8.943 543 HE1 HIS 66 1HE HIS 66 -6.205 -7.223 -11.978 544 HE2 HIS 66 2HE HIS 66 -5.645 -9.233 -10.565 545 H LEU 67 H LEU 67 -5.553 -5.472 -6.697 546 HA LEU 67 HA LEU 67 -4.710 -7.060 -4.506 547 HB2 LEU 67 2HB LEU 67 -7.498 -6.645 -5.586 548 HB3 LEU 67 1HB LEU 67 -7.095 -7.284 -4.003 549 HG LEU 67 HG LEU 67 -6.594 -4.477 -4.994 550 HD11 LEU 67 1HD1 LEU 67 -8.399 -3.825 -3.814 551 HD12 LEU 67 2HD1 LEU 67 -8.143 -5.027 -2.550 552 HD13 LEU 67 3HD1 LEU 67 -8.906 -5.494 -4.070 553 HD21 LEU 67 3HD2 LEU 67 -4.813 -4.640 -3.604 554 HD22 LEU 67 1HD2 LEU 67 -5.498 -5.992 -2.703 555 HD23 LEU 67 2HD2 LEU 67 -6.047 -4.347 -2.380 556 H LYS 68 H LYS 68 -4.827 -9.225 -4.133 557 HA LYS 68 HA LYS 68 -5.039 -10.923 -6.476 558 HB2 LYS 68 2HB LYS 68 -4.344 -11.635 -3.620 559 HB3 LYS 68 1HB LYS 68 -4.179 -12.691 -5.015 560 HG2 LYS 68 2HG LYS 68 -2.663 -10.757 -5.917 561 HG3 LYS 68 1HG LYS 68 -2.535 -10.348 -4.204 562 HD2 LYS 68 2HD LYS 68 -0.830 -11.821 -4.232 563 HD3 LYS 68 1HD LYS 68 -2.118 -13.023 -4.121 564 HE2 LYS 68 2HE LYS 68 -2.115 -13.290 -6.530 565 HE3 LYS 68 1HE LYS 68 -0.902 -12.021 -6.694 566 HZ1 LYS 68 3HZ LYS 68 -0.596 -14.778 -5.757 567 HZ2 LYS 68 1HZ LYS 68 0.411 -13.596 -5.083 568 HZ3 LYS 68 2HZ LYS 68 0.416 -13.858 -6.752 569 H GLU 69 H GLU 69 -5.973 -13.271 -5.664 570 HA GLU 69 HA GLU 69 -8.678 -12.727 -4.632 571 HB2 GLU 69 2HB GLU 69 -7.953 -13.630 -7.215 572 HB3 GLU 69 1HB GLU 69 -8.675 -15.003 -6.388 573 HG2 GLU 69 2HG GLU 69 -10.716 -14.155 -6.569 574 HG3 GLU 69 1HG GLU 69 -10.197 -12.580 -5.970 575 H ALA 70 H ALA 70 -6.736 -13.460 -2.891 576 HA ALA 70 HA ALA 70 -6.282 -14.939 -1.224 577 HB1 ALA 70 1HB ALA 70 -8.025 -16.960 -1.189 578 HB2 ALA 70 2HB ALA 70 -8.921 -15.843 -2.219 579 HB3 ALA 70 3HB ALA 70 -8.427 -15.346 -0.601 580 H ILE 71 H ILE 71 -4.640 -15.228 -3.281 581 HA ILE 71 HA ILE 71 -3.132 -16.650 -4.222 582 HB ILE 71 HB ILE 71 -4.371 -18.832 -2.549 583 HG12 ILE 71 2HG1 ILE 71 -3.830 -16.960 -1.092 584 HG13 ILE 71 1HG1 ILE 71 -2.663 -18.255 -0.847 585 HG21 ILE 71 1HG2 ILE 71 -1.493 -18.594 -3.334 586 HG22 ILE 71 2HG2 ILE 71 -2.676 -19.292 -4.440 587 HG23 ILE 71 3HG2 ILE 71 -2.405 -20.025 -2.859 588 HD11 ILE 71 3HD1 ILE 71 -1.468 -16.729 -2.781 589 HD12 ILE 71 1HD1 ILE 71 -1.123 -16.666 -1.053 590 HD13 ILE 71 2HD1 ILE 71 -2.266 -15.528 -1.767 591 H VAL 72 H VAL 72 -3.017 -17.814 -6.082 592 HA VAL 72 HA VAL 72 -5.569 -18.751 -7.184 593 HB VAL 72 HB VAL 72 -4.452 -18.670 -9.379 594 HG11 VAL 72 1HG1 VAL 72 -4.450 -16.202 -7.669 595 HG12 VAL 72 2HG1 VAL 72 -5.653 -16.727 -8.847 596 HG13 VAL 72 3HG1 VAL 72 -4.081 -16.144 -9.392 597 HG21 VAL 72 3HG2 VAL 72 -2.094 -18.434 -7.733 598 HG22 VAL 72 1HG2 VAL 72 -2.186 -17.110 -8.895 599 HG23 VAL 72 2HG2 VAL 72 -2.230 -18.781 -9.456 600 H GLU 73 H GLU 73 -5.929 -20.853 -6.901 601 HA GLU 73 HA GLU 73 -3.880 -22.755 -7.718 602 HB2 GLU 73 2HB GLU 73 -4.093 -22.209 -5.063 603 HB3 GLU 73 1HB GLU 73 -5.247 -23.528 -5.219 604 HG2 GLU 73 2HG GLU 73 -3.648 -25.059 -5.505 605 HG3 GLU 73 1HG GLU 73 -2.695 -24.015 -6.558 606 H GLY 74 H GLY 74 -4.696 -24.591 -8.624 607 HA2 GLY 74 2HA GLY 74 -7.104 -25.834 -8.198 608 HA3 GLY 74 1HA GLY 74 -7.467 -24.564 -9.356 Start of MODEL 5 1 H1 MET 1 1HT MET 1 -9.525 13.795 14.978 2 H2 MET 1 2HT MET 1 -10.441 13.951 16.420 3 H3 MET 1 3HT MET 1 -11.165 13.299 15.007 4 HA MET 1 HA MET 1 -9.167 12.116 16.788 5 HB2 MET 1 2HB MET 1 -11.983 11.712 16.017 6 HB3 MET 1 1HB MET 1 -11.031 10.237 16.114 7 HG2 MET 1 2HG MET 1 -12.121 10.645 18.215 8 HG3 MET 1 1HG MET 1 -10.379 10.831 18.405 9 HE1 MET 1 2HE MET 1 -10.144 13.869 20.326 10 HE2 MET 1 3HE MET 1 -9.223 13.485 18.873 11 HE3 MET 1 1HE MET 1 -9.690 12.198 19.986 12 H THR 2 H THR 2 -10.736 11.704 13.614 13 HA THR 2 HA THR 2 -8.281 10.412 12.656 14 HB THR 2 HB THR 2 -10.054 8.994 11.249 15 HG1 THR 2 1HG THR 2 -11.351 9.363 13.741 16 HG21 THR 2 3HG2 THR 2 -9.881 7.176 12.870 17 HG22 THR 2 1HG2 THR 2 -9.256 8.309 14.068 18 HG23 THR 2 2HG2 THR 2 -8.330 7.973 12.605 19 H ARG 3 H ARG 3 -7.901 10.597 10.408 20 HA ARG 3 HA ARG 3 -9.563 12.621 9.055 21 HB2 ARG 3 2HB ARG 3 -7.402 13.311 7.906 22 HB3 ARG 3 1HB ARG 3 -7.555 13.744 9.603 23 HG2 ARG 3 2HG ARG 3 -6.149 11.866 10.230 24 HG3 ARG 3 1HG ARG 3 -6.032 11.374 8.540 25 HD2 ARG 3 2HD ARG 3 -4.056 12.545 8.899 26 HD3 ARG 3 1HD ARG 3 -5.104 13.738 8.135 27 HE ARG 3 HE ARG 3 -4.167 13.730 10.884 28 HH11 ARG 3 1HH1 ARG 3 -6.342 15.120 8.529 29 HH12 ARG 3 2HH1 ARG 3 -6.581 16.577 9.432 30 HH21 ARG 3 1HH2 ARG 3 -4.486 15.645 12.067 31 HH22 ARG 3 2HH2 ARG 3 -5.529 16.876 11.438 32 H TRP 4 H TRP 4 -7.340 9.895 8.626 33 HA TRP 4 HA TRP 4 -8.130 9.575 5.854 34 HB2 TRP 4 2HB TRP 4 -5.870 8.861 7.403 35 HB3 TRP 4 1HB TRP 4 -6.592 7.358 6.840 36 HD1 TRP 4 HD TRP 4 -6.767 10.460 4.640 37 HE1 TRP 4 1HE TRP 4 -5.306 10.090 2.554 38 HE3 TRP 4 3HE TRP 4 -4.533 6.113 6.019 39 HZ2 TRP 4 2HZ TRP 4 -3.439 8.180 1.622 40 HZ3 TRP 4 3HZ TRP 4 -2.919 5.059 4.485 41 HH2 TRP 4 HH TRP 4 -2.385 6.073 2.328 42 H VAL 5 H VAL 5 -8.395 7.028 5.313 43 HA VAL 5 HA VAL 5 -10.411 5.940 7.157 44 HB VAL 5 HB VAL 5 -11.666 5.162 5.071 45 HG11 VAL 5 1HG1 VAL 5 -11.593 7.857 6.272 46 HG12 VAL 5 2HG1 VAL 5 -12.917 6.697 6.160 47 HG13 VAL 5 3HG1 VAL 5 -12.499 7.696 4.768 48 HG21 VAL 5 3HG2 VAL 5 -10.009 7.358 3.834 49 HG22 VAL 5 1HG2 VAL 5 -11.391 6.567 3.078 50 HG23 VAL 5 2HG2 VAL 5 -9.932 5.643 3.436 51 HA PRO 6 HA PRO 6 -8.161 2.153 6.670 52 HB2 PRO 6 2HB PRO 6 -10.659 0.704 7.204 53 HB3 PRO 6 1HB PRO 6 -9.182 0.778 8.167 54 HG2 PRO 6 2HG PRO 6 -11.460 1.982 8.948 55 HG3 PRO 6 1HG PRO 6 -9.861 2.662 9.306 56 HD2 PRO 6 2HD PRO 6 -11.825 3.447 7.185 57 HD3 PRO 6 1HD PRO 6 -10.815 4.475 8.224 58 H THR 7 H THR 7 -9.113 -0.283 5.849 59 HA THR 7 HA THR 7 -10.342 0.125 3.225 60 HB THR 7 HB THR 7 -8.633 -1.175 2.088 61 HG1 THR 7 1HG THR 7 -7.569 -1.422 4.680 62 HG21 THR 7 3HG2 THR 7 -6.682 0.517 3.324 63 HG22 THR 7 1HG2 THR 7 -8.191 1.394 3.075 64 HG23 THR 7 2HG2 THR 7 -7.392 0.606 1.715 65 H LYS 8 H LYS 8 -12.140 -0.910 4.290 66 HA LYS 8 HA LYS 8 -11.803 -3.683 5.092 67 HB2 LYS 8 2HB LYS 8 -13.319 -1.933 6.242 68 HB3 LYS 8 1HB LYS 8 -14.430 -2.233 4.913 69 HG2 LYS 8 2HG LYS 8 -14.119 -4.732 5.594 70 HG3 LYS 8 1HG LYS 8 -13.596 -4.039 7.130 71 HD2 LYS 8 2HD LYS 8 -15.671 -3.093 7.556 72 HD3 LYS 8 1HD LYS 8 -16.144 -3.125 5.856 73 HE2 LYS 8 2HE LYS 8 -15.604 -5.757 7.048 74 HE3 LYS 8 1HE LYS 8 -16.987 -4.902 7.730 75 HZ1 LYS 8 3HZ LYS 8 -16.582 -5.400 4.830 76 HZ2 LYS 8 1HZ LYS 8 -17.948 -4.713 5.556 77 HZ3 LYS 8 2HZ LYS 8 -17.568 -6.337 5.836 78 H ARG 9 H ARG 9 -11.197 -4.530 3.031 79 HA ARG 9 HA ARG 9 -13.301 -5.688 1.596 80 HB2 ARG 9 2HB ARG 9 -12.621 -3.033 0.733 81 HB3 ARG 9 1HB ARG 9 -12.210 -4.179 -0.534 82 HG2 ARG 9 2HG ARG 9 -14.393 -4.831 -0.844 83 HG3 ARG 9 1HG ARG 9 -14.879 -4.347 0.782 84 HD2 ARG 9 2HD ARG 9 -15.673 -2.471 -0.110 85 HD3 ARG 9 1HD ARG 9 -14.005 -1.998 -0.431 86 HE ARG 9 HE ARG 9 -15.955 -2.894 -2.344 87 HH11 ARG 9 1HH1 ARG 9 -12.547 -2.562 -1.669 88 HH12 ARG 9 2HH1 ARG 9 -12.089 -2.558 -3.339 89 HH21 ARG 9 1HH2 ARG 9 -15.355 -2.889 -4.540 90 HH22 ARG 9 2HH2 ARG 9 -13.683 -2.743 -4.969 91 H GLU 10 H GLU 10 -12.182 -6.135 -0.874 92 HA GLU 10 HA GLU 10 -10.648 -7.410 -1.962 93 HB2 GLU 10 2HB GLU 10 -9.155 -5.484 -1.257 94 HB3 GLU 10 1HB GLU 10 -8.639 -6.489 0.092 95 HG2 GLU 10 2HG GLU 10 -8.024 -8.227 -1.678 96 HG3 GLU 10 1HG GLU 10 -8.181 -6.910 -2.839 97 H GLU 11 H GLU 11 -9.593 -9.448 -1.860 98 HA GLU 11 HA GLU 11 -10.650 -11.228 0.013 99 HB2 GLU 11 2HB GLU 11 -9.028 -11.376 -2.317 100 HB3 GLU 11 1HB GLU 11 -8.228 -12.309 -1.059 101 HG2 GLU 11 2HG GLU 11 -9.560 -13.909 -1.981 102 HG3 GLU 11 1HG GLU 11 -10.618 -13.311 -0.706 103 H LYS 12 H LYS 12 -7.234 -10.235 -0.309 104 HA LYS 12 HA LYS 12 -6.974 -10.173 2.583 105 HB2 LYS 12 2HB LYS 12 -5.546 -12.155 0.832 106 HB3 LYS 12 1HB LYS 12 -4.850 -11.621 2.354 107 HG2 LYS 12 2HG LYS 12 -6.710 -12.491 3.584 108 HG3 LYS 12 1HG LYS 12 -7.578 -12.864 2.093 109 HD2 LYS 12 2HD LYS 12 -5.321 -14.238 1.641 110 HD3 LYS 12 1HD LYS 12 -5.342 -14.294 3.404 111 HE2 LYS 12 2HE LYS 12 -7.301 -15.507 3.477 112 HE3 LYS 12 1HE LYS 12 -7.829 -14.944 1.891 113 HZ1 LYS 12 3HZ LYS 12 -7.196 -17.040 1.358 114 HZ2 LYS 12 1HZ LYS 12 -6.028 -17.139 2.581 115 HZ3 LYS 12 2HZ LYS 12 -5.696 -16.282 1.160 116 H TYR 13 H TYR 13 -4.695 -10.414 -0.146 117 HA TYR 13 HA TYR 13 -3.893 -7.639 0.298 118 HB2 TYR 13 2HB TYR 13 -1.446 -8.512 0.056 119 HB3 TYR 13 1HB TYR 13 -2.239 -8.583 1.626 120 HD1 TYR 13 1HD TYR 13 -2.315 -10.796 -1.392 121 HD2 TYR 13 2HD TYR 13 -1.568 -10.457 2.783 122 HE1 TYR 13 1HE TYR 13 -1.870 -13.212 -1.281 123 HE2 TYR 13 2HE TYR 13 -1.120 -12.872 2.905 124 HH TYR 13 HH TYR 13 -1.992 -15.023 0.583 125 H GLY 14 H GLY 14 -1.987 -7.192 -1.404 126 HA2 GLY 14 2HA GLY 14 -2.665 -8.503 -3.947 127 HA3 GLY 14 1HA GLY 14 -2.797 -6.755 -3.826 128 H VAL 15 H VAL 15 -1.189 -7.770 -5.737 129 HA VAL 15 HA VAL 15 1.545 -7.785 -4.717 130 HB VAL 15 HB VAL 15 0.618 -8.077 -7.576 131 HG11 VAL 15 1HG1 VAL 15 3.245 -8.324 -6.186 132 HG12 VAL 15 2HG1 VAL 15 2.857 -7.585 -7.739 133 HG13 VAL 15 3HG1 VAL 15 2.912 -9.340 -7.588 134 HG21 VAL 15 3HG2 VAL 15 0.749 -10.447 -7.307 135 HG22 VAL 15 1HG2 VAL 15 -0.301 -9.819 -6.036 136 HG23 VAL 15 2HG2 VAL 15 1.360 -10.281 -5.662 137 H ALA 16 H ALA 16 3.092 -6.264 -5.252 138 HA ALA 16 HA ALA 16 2.089 -3.806 -6.534 139 HB1 ALA 16 1HB ALA 16 3.696 -2.590 -5.015 140 HB2 ALA 16 2HB ALA 16 3.859 -4.101 -4.119 141 HB3 ALA 16 3HB ALA 16 2.288 -3.306 -4.228 142 H PHE 17 H PHE 17 2.998 -3.871 -8.521 143 HA PHE 17 HA PHE 17 5.785 -4.701 -8.785 144 HB2 PHE 17 2HB PHE 17 5.161 -4.154 -11.311 145 HB3 PHE 17 1HB PHE 17 4.702 -5.675 -10.555 146 HD1 PHE 17 1HD PHE 17 3.487 -2.366 -11.616 147 HD2 PHE 17 2HD PHE 17 2.424 -6.231 -10.189 148 HE1 PHE 17 1HE PHE 17 1.129 -1.911 -12.152 149 HE2 PHE 17 2HE PHE 17 0.066 -5.784 -10.725 150 HZ PHE 17 HZ PHE 17 -0.585 -3.622 -11.708 151 H TYR 18 H TYR 18 6.923 -3.007 -7.912 152 HA TYR 18 HA TYR 18 7.327 -0.764 -9.646 153 HB2 TYR 18 2HB TYR 18 5.309 -0.189 -8.126 154 HB3 TYR 18 1HB TYR 18 6.510 -0.034 -6.847 155 HD1 TYR 18 1HD TYR 18 5.427 1.312 -10.116 156 HD2 TYR 18 2HD TYR 18 7.923 1.869 -6.717 157 HE1 TYR 18 1HE TYR 18 5.938 3.602 -10.864 158 HE2 TYR 18 2HE TYR 18 8.428 4.160 -7.449 159 HH TYR 18 HH TYR 18 6.675 5.795 -9.707 160 H ASN 19 H ASN 19 9.056 0.702 -8.773 161 HA ASN 19 HA ASN 19 10.941 -0.855 -7.129 162 HB2 ASN 19 2HB ASN 19 11.504 1.142 -9.333 163 HB3 ASN 19 1HB ASN 19 12.739 0.398 -8.321 164 HD21 ASN 19 1HD2 ASN 19 12.025 -2.168 -8.172 165 HD22 ASN 19 2HD2 ASN 19 12.008 -2.900 -9.737 166 H TYR 20 H TYR 20 9.218 0.525 -5.670 167 HA TYR 20 HA TYR 20 10.063 3.223 -5.166 168 HB2 TYR 20 2HB TYR 20 7.717 2.156 -4.803 169 HB3 TYR 20 1HB TYR 20 8.386 1.606 -3.273 170 HD1 TYR 20 2HD TYR 20 9.573 3.508 -1.858 171 HD2 TYR 20 1HD TYR 20 6.628 4.193 -4.853 172 HE1 TYR 20 2HE TYR 20 9.053 5.684 -0.838 173 HE2 TYR 20 1HE TYR 20 6.099 6.371 -3.841 174 HH TYR 20 HH TYR 20 7.549 8.082 -2.292 175 H ASP 21 H ASP 21 11.259 4.005 -3.471 176 HA ASP 21 HA ASP 21 12.417 2.082 -1.589 177 HB2 ASP 21 2HB ASP 21 14.081 4.099 -3.108 178 HB3 ASP 21 1HB ASP 21 14.664 2.913 -1.944 179 H ALA 22 H ALA 22 11.065 3.030 -0.018 180 HA ALA 22 HA ALA 22 10.849 5.758 0.532 181 HB1 ALA 22 1HB ALA 22 9.398 3.953 1.460 182 HB2 ALA 22 2HB ALA 22 9.944 5.131 2.654 183 HB3 ALA 22 3HB ALA 22 10.707 3.543 2.569 184 H ARG 23 H ARG 23 11.834 7.088 2.090 185 HA ARG 23 HA ARG 23 14.582 6.284 2.761 186 HB2 ARG 23 2HB ARG 23 13.336 8.853 1.954 187 HB3 ARG 23 1HB ARG 23 14.625 8.945 3.147 188 HG2 ARG 23 2HG ARG 23 14.895 7.546 0.499 189 HG3 ARG 23 1HG ARG 23 15.362 9.224 0.783 190 HD2 ARG 23 2HD ARG 23 16.972 8.533 2.446 191 HD3 ARG 23 1HD ARG 23 16.446 6.857 2.306 192 HE ARG 23 HE ARG 23 17.246 7.694 -0.224 193 HH11 ARG 23 1HH1 ARG 23 18.674 7.179 2.919 194 HH12 ARG 23 2HH1 ARG 23 20.236 6.789 2.284 195 HH21 ARG 23 1HH2 ARG 23 19.300 7.181 -1.060 196 HH22 ARG 23 2HH2 ARG 23 20.592 6.789 0.024 197 H GLY 24 H GLY 24 11.532 7.165 4.087 198 HA2 GLY 24 2HA GLY 24 12.726 7.066 6.780 199 HA3 GLY 24 1HA GLY 24 11.571 8.326 6.372 200 H ALA 25 H ALA 25 10.704 7.120 8.413 201 HA ALA 25 HA ALA 25 9.414 4.619 8.035 202 HB1 ALA 25 1HB ALA 25 9.475 6.695 10.136 203 HB2 ALA 25 2HB ALA 25 9.682 4.948 10.258 204 HB3 ALA 25 3HB ALA 25 8.065 5.636 10.112 205 H ASP 26 H ASP 26 8.520 7.909 7.372 206 HA ASP 26 HA ASP 26 5.745 7.734 7.339 207 HB2 ASP 26 2HB ASP 26 7.543 9.693 6.775 208 HB3 ASP 26 1HB ASP 26 6.946 9.323 5.159 209 H GLU 27 H GLU 27 8.104 6.571 5.048 210 HA GLU 27 HA GLU 27 5.907 5.512 3.394 211 HB2 GLU 27 2HB GLU 27 8.445 6.854 2.634 212 HB3 GLU 27 1HB GLU 27 7.937 5.495 1.640 213 HG2 GLU 27 2HG GLU 27 6.717 6.960 0.508 214 HG3 GLU 27 1HG GLU 27 5.633 6.971 1.899 215 H LEU 28 H LEU 28 6.783 3.606 1.995 216 HA LEU 28 HA LEU 28 8.626 1.940 3.552 217 HB2 LEU 28 2HB LEU 28 6.416 1.296 4.292 218 HB3 LEU 28 1HB LEU 28 5.871 1.123 2.634 219 HG LEU 28 HG LEU 28 8.178 -0.552 3.409 220 HD11 LEU 28 1HD1 LEU 28 5.453 -1.415 4.298 221 HD12 LEU 28 2HD1 LEU 28 6.516 -0.510 5.376 222 HD13 LEU 28 3HD1 LEU 28 7.030 -2.073 4.737 223 HD21 LEU 28 3HD2 LEU 28 7.124 -2.139 1.981 224 HD22 LEU 28 1HD2 LEU 28 7.023 -0.568 1.185 225 HD23 LEU 28 2HD2 LEU 28 5.609 -1.237 1.998 226 H SER 29 H SER 29 9.964 0.709 2.351 227 HA SER 29 HA SER 29 10.304 1.241 -0.377 228 HB2 SER 29 2HB SER 29 11.734 -0.100 1.620 229 HB3 SER 29 1HB SER 29 11.441 -1.317 0.378 230 HG SER 29 HG SER 29 13.376 -0.019 0.088 231 H LEU 30 H LEU 30 9.441 0.405 -2.164 232 HA LEU 30 HA LEU 30 7.780 -2.014 -1.898 233 HB2 LEU 30 2HB LEU 30 6.714 0.296 -2.447 234 HB3 LEU 30 1HB LEU 30 7.378 0.035 -4.048 235 HG LEU 30 HG LEU 30 6.105 -2.126 -4.142 236 HD11 LEU 30 1HD1 LEU 30 4.760 -2.844 -2.483 237 HD12 LEU 30 2HD1 LEU 30 4.292 -1.210 -2.010 238 HD13 LEU 30 3HD1 LEU 30 5.836 -1.874 -1.474 239 HD21 LEU 30 3HD2 LEU 30 5.027 -0.566 -5.394 240 HD22 LEU 30 1HD2 LEU 30 4.905 0.582 -4.061 241 HD23 LEU 30 2HD2 LEU 30 3.803 -0.793 -4.143 242 H GLN 31 H GLN 31 8.369 -3.721 -3.062 243 HA GLN 31 HA GLN 31 10.224 -3.300 -5.312 244 HB2 GLN 31 2HB GLN 31 10.169 -5.353 -3.142 245 HB3 GLN 31 1HB GLN 31 10.808 -5.802 -4.716 246 HG2 GLN 31 2HG GLN 31 12.103 -3.461 -4.273 247 HG3 GLN 31 1HG GLN 31 11.948 -4.091 -2.633 248 HE21 GLN 31 1HE2 GLN 31 12.319 -6.659 -2.738 249 HE22 GLN 31 2HE2 GLN 31 13.829 -7.088 -3.457 250 H ILE 32 H ILE 32 10.043 -4.720 -7.113 251 HA ILE 32 HA ILE 32 7.344 -5.298 -7.824 252 HB ILE 32 HB ILE 32 9.833 -6.180 -9.287 253 HG12 ILE 32 2HG1 ILE 32 8.282 -3.594 -9.556 254 HG13 ILE 32 1HG1 ILE 32 9.882 -3.753 -8.841 255 HG21 ILE 32 1HG2 ILE 32 8.232 -7.238 -10.470 256 HG22 ILE 32 2HG2 ILE 32 7.994 -5.642 -11.180 257 HG23 ILE 32 3HG2 ILE 32 6.947 -6.190 -9.872 258 HD11 ILE 32 3HD1 ILE 32 10.895 -4.126 -10.879 259 HD12 ILE 32 1HD1 ILE 32 9.648 -2.945 -11.279 260 HD13 ILE 32 2HD1 ILE 32 9.396 -4.652 -11.644 261 H GLY 33 H GLY 33 6.236 -7.167 -7.786 262 HA2 GLY 33 2HA GLY 33 5.924 -9.491 -7.772 263 HA3 GLY 33 1HA GLY 33 7.638 -9.698 -7.447 264 H ASP 34 H ASP 34 6.671 -7.391 -5.331 265 HA ASP 34 HA ASP 34 6.412 -9.356 -3.188 266 HB2 ASP 34 2HB ASP 34 7.106 -6.428 -3.259 267 HB3 ASP 34 1HB ASP 34 6.674 -7.227 -1.749 268 H THR 35 H THR 35 4.711 -9.408 -1.749 269 HA THR 35 HA THR 35 2.239 -8.196 -2.711 270 HB THR 35 HB THR 35 2.463 -10.068 -0.368 271 HG1 THR 35 1HG THR 35 2.572 -10.695 -3.120 272 HG21 THR 35 3HG2 THR 35 0.286 -10.876 -1.227 273 HG22 THR 35 1HG2 THR 35 0.318 -9.571 -2.412 274 HG23 THR 35 2HG2 THR 35 0.266 -9.196 -0.689 275 H VAL 36 H VAL 36 0.763 -7.139 -1.210 276 HA VAL 36 HA VAL 36 1.959 -6.092 1.237 277 HB VAL 36 HB VAL 36 1.224 -3.757 0.603 278 HG11 VAL 36 1HG1 VAL 36 3.509 -5.155 -0.749 279 HG12 VAL 36 2HG1 VAL 36 3.533 -4.120 0.678 280 HG13 VAL 36 3HG1 VAL 36 3.257 -3.419 -0.917 281 HG21 VAL 36 3HG2 VAL 36 1.526 -4.417 -2.255 282 HG22 VAL 36 1HG2 VAL 36 0.495 -3.222 -1.466 283 HG23 VAL 36 2HG2 VAL 36 0.012 -4.918 -1.503 284 H HIS 37 H HIS 37 0.516 -5.700 2.821 285 HA HIS 37 HA HIS 37 -2.295 -6.273 2.233 286 HB2 HIS 37 2HB HIS 37 -1.107 -7.566 4.021 287 HB3 HIS 37 1HB HIS 37 -0.937 -6.066 4.928 288 HD1 HIS 37 1HD HIS 37 -2.522 -8.539 5.989 289 HD2 HIS 37 2HD HIS 37 -4.209 -5.247 4.095 290 HE1 HIS 37 1HE HIS 37 -4.919 -8.479 6.753 291 HE2 HIS 37 2HE HIS 37 -5.939 -6.525 5.532 292 H ILE 38 H ILE 38 -3.459 -4.524 1.766 293 HA ILE 38 HA ILE 38 -2.757 -1.914 2.747 294 HB ILE 38 HB ILE 38 -5.275 -2.674 1.277 295 HG12 ILE 38 2HG1 ILE 38 -3.253 -1.495 -0.406 296 HG13 ILE 38 1HG1 ILE 38 -2.616 -2.947 0.361 297 HG21 ILE 38 1HG2 ILE 38 -3.763 -0.078 1.524 298 HG22 ILE 38 2HG2 ILE 38 -5.314 -0.467 2.268 299 HG23 ILE 38 3HG2 ILE 38 -5.185 -0.336 0.515 300 HD11 ILE 38 3HD1 ILE 38 -4.376 -2.721 -1.855 301 HD12 ILE 38 1HD1 ILE 38 -5.216 -3.554 -0.549 302 HD13 ILE 38 2HD1 ILE 38 -3.674 -4.172 -1.139 303 H LEU 39 H LEU 39 -3.648 -0.783 4.369 304 HA LEU 39 HA LEU 39 -5.934 -1.985 5.786 305 HB2 LEU 39 2HB LEU 39 -4.940 -0.850 7.845 306 HB3 LEU 39 1HB LEU 39 -4.153 -2.301 7.258 307 HG LEU 39 HG LEU 39 -2.578 -0.655 6.008 308 HD11 LEU 39 1HD1 LEU 39 -4.146 1.125 7.752 309 HD12 LEU 39 2HD1 LEU 39 -3.296 1.469 6.247 310 HD13 LEU 39 3HD1 LEU 39 -2.400 1.373 7.764 311 HD21 LEU 39 3HD2 LEU 39 -1.446 -0.285 8.414 312 HD22 LEU 39 1HD2 LEU 39 -1.423 -1.824 7.555 313 HD23 LEU 39 2HD2 LEU 39 -2.616 -1.540 8.820 314 H GLU 40 H GLU 40 -4.373 0.937 4.654 315 HA GLU 40 HA GLU 40 -6.866 2.406 5.196 316 HB2 GLU 40 2HB GLU 40 -4.030 3.418 5.446 317 HB3 GLU 40 1HB GLU 40 -5.446 4.459 5.446 318 HG2 GLU 40 2HG GLU 40 -5.763 2.353 7.370 319 HG3 GLU 40 1HG GLU 40 -4.247 3.211 7.635 320 H THR 41 H THR 41 -7.587 3.788 3.591 321 HA THR 41 HA THR 41 -5.995 3.897 1.123 322 HB THR 41 HB THR 41 -7.580 2.203 0.644 323 HG1 THR 41 1HG THR 41 -8.735 3.138 -0.997 324 HG21 THR 41 3HG2 THR 41 -10.097 3.465 0.970 325 HG22 THR 41 1HG2 THR 41 -9.239 3.518 2.509 326 HG23 THR 41 2HG2 THR 41 -9.503 1.974 1.699 327 H TYR 42 H TYR 42 -7.051 5.513 -0.463 328 HA TYR 42 HA TYR 42 -8.670 7.606 0.457 329 HB2 TYR 42 2HB TYR 42 -6.734 8.064 1.936 330 HB3 TYR 42 1HB TYR 42 -5.714 8.253 0.514 331 HD1 TYR 42 2HD TYR 42 -9.022 9.562 1.686 332 HD2 TYR 42 1HD TYR 42 -5.229 10.432 -0.033 333 HE1 TYR 42 2HE TYR 42 -9.622 11.944 1.583 334 HE2 TYR 42 1HE TYR 42 -5.818 12.818 -0.140 335 HH TYR 42 HH TYR 42 -8.197 14.123 -0.260 336 H GLU 43 H GLU 43 -8.349 6.037 -1.883 337 HA GLU 43 HA GLU 43 -8.427 6.238 -4.146 338 HB2 GLU 43 2HB GLU 43 -8.862 9.032 -3.215 339 HB3 GLU 43 1HB GLU 43 -8.513 8.785 -4.920 340 HG2 GLU 43 2HG GLU 43 -10.633 7.156 -3.605 341 HG3 GLU 43 1HG GLU 43 -10.970 8.825 -4.066 342 H GLY 44 H GLY 44 -6.494 5.446 -4.809 343 HA2 GLY 44 2HA GLY 44 -4.376 5.453 -5.700 344 HA3 GLY 44 1HA GLY 44 -4.630 7.161 -6.025 345 H TRP 45 H TRP 45 -4.599 5.549 -2.889 346 HA TRP 45 HA TRP 45 -1.969 6.169 -2.156 347 HB2 TRP 45 2HB TRP 45 -3.411 8.461 -2.325 348 HB3 TRP 45 1HB TRP 45 -3.723 8.017 -0.656 349 HD1 TRP 45 HD TRP 45 -2.418 10.353 -0.126 350 HE1 TRP 45 1HE TRP 45 0.084 10.814 0.226 351 HE3 TRP 45 3HE TRP 45 -0.459 6.134 -2.307 352 HZ2 TRP 45 2HZ TRP 45 2.544 9.583 -0.336 353 HZ3 TRP 45 3HZ TRP 45 1.980 5.873 -2.352 354 HH2 TRP 45 HH TRP 45 3.450 7.560 -1.385 355 H TYR 46 H TYR 46 -2.133 4.100 -1.254 356 HA TYR 46 HA TYR 46 -3.859 3.928 1.133 357 HB2 TYR 46 2HB TYR 46 -2.902 1.456 -0.247 358 HB3 TYR 46 1HB TYR 46 -4.360 1.714 0.699 359 HD1 TYR 46 1HD TYR 46 -5.423 4.141 -0.726 360 HD2 TYR 46 2HD TYR 46 -3.765 0.515 -2.208 361 HE1 TYR 46 1HE TYR 46 -6.723 4.400 -2.796 362 HE2 TYR 46 2HE TYR 46 -5.056 0.766 -4.284 363 HH TYR 46 HH TYR 46 -7.038 1.886 -5.096 364 H ARG 47 H ARG 47 -3.064 2.721 2.917 365 HA ARG 47 HA ARG 47 -0.124 2.535 3.010 366 HB2 ARG 47 2HB ARG 47 -1.069 4.384 4.388 367 HB3 ARG 47 1HB ARG 47 -1.992 3.197 5.297 368 HG2 ARG 47 2HG ARG 47 -0.137 2.379 6.376 369 HG3 ARG 47 1HG ARG 47 0.966 2.902 5.101 370 HD2 ARG 47 2HD ARG 47 0.969 5.107 5.835 371 HD3 ARG 47 1HD ARG 47 -0.536 4.911 6.732 372 HE ARG 47 HE ARG 47 1.165 3.243 8.010 373 HH11 ARG 47 1HH1 ARG 47 1.348 6.611 7.113 374 HH12 ARG 47 2HH1 ARG 47 2.360 7.039 8.451 375 HH21 ARG 47 1HH2 ARG 47 2.494 3.805 9.768 376 HH22 ARG 47 2HH2 ARG 47 3.012 5.447 9.958 377 H GLY 48 H GLY 48 0.781 0.771 4.115 378 HA2 GLY 48 2HA GLY 48 -0.719 -1.126 5.573 379 HA3 GLY 48 1HA GLY 48 -0.578 -1.661 3.906 380 H TYR 49 H TYR 49 0.564 -3.489 4.816 381 HA TYR 49 HA TYR 49 3.418 -2.887 5.133 382 HB2 TYR 49 2HB TYR 49 3.554 -4.695 6.866 383 HB3 TYR 49 1HB TYR 49 2.667 -3.265 7.381 384 HD1 TYR 49 1HD TYR 49 0.043 -3.409 6.885 385 HD2 TYR 49 2HD TYR 49 2.633 -6.751 7.348 386 HE1 TYR 49 1HE TYR 49 -1.888 -4.814 7.472 387 HE2 TYR 49 2HE TYR 49 0.710 -8.166 7.937 388 HH TYR 49 HH TYR 49 -2.082 -7.148 8.956 389 H THR 50 H THR 50 4.789 -4.293 4.139 390 HA THR 50 HA THR 50 3.722 -5.996 2.129 391 HB THR 50 HB THR 50 6.343 -6.708 2.241 392 HG1 THR 50 1HG THR 50 6.533 -5.255 4.102 393 HG21 THR 50 3HG2 THR 50 5.107 -5.619 0.344 394 HG22 THR 50 1HG2 THR 50 6.794 -5.146 0.539 395 HG23 THR 50 2HG2 THR 50 5.508 -4.069 1.084 396 H LEU 51 H LEU 51 4.061 -8.279 1.898 397 HA LEU 51 HA LEU 51 3.370 -9.756 4.194 398 HB2 LEU 51 2HB LEU 51 3.977 -10.342 1.369 399 HB3 LEU 51 1HB LEU 51 4.257 -11.669 2.482 400 HG LEU 51 HG LEU 51 2.025 -11.784 1.488 401 HD11 LEU 51 1HD1 LEU 51 2.481 -12.582 3.815 402 HD12 LEU 51 2HD1 LEU 51 0.799 -12.170 3.491 403 HD13 LEU 51 3HD1 LEU 51 1.819 -11.057 4.402 404 HD21 LEU 51 3HD2 LEU 51 0.515 -9.857 2.704 405 HD22 LEU 51 1HD2 LEU 51 1.066 -9.813 1.030 406 HD23 LEU 51 2HD2 LEU 51 1.978 -8.969 2.281 407 H ARG 52 H ARG 52 6.433 -8.993 2.720 408 HA ARG 52 HA ARG 52 7.895 -10.957 4.258 409 HB2 ARG 52 2HB ARG 52 8.734 -8.752 2.382 410 HB3 ARG 52 1HB ARG 52 9.898 -9.723 3.275 411 HG2 ARG 52 2HG ARG 52 8.824 -11.751 2.223 412 HG3 ARG 52 1HG ARG 52 7.962 -10.631 1.168 413 HD2 ARG 52 2HD ARG 52 9.929 -9.892 0.148 414 HD3 ARG 52 1HD ARG 52 10.944 -10.517 1.447 415 HE ARG 52 HE ARG 52 9.965 -11.960 -0.837 416 HH11 ARG 52 1HH1 ARG 52 11.134 -12.242 2.439 417 HH12 ARG 52 2HH1 ARG 52 11.654 -13.880 2.245 418 HH21 ARG 52 1HH2 ARG 52 10.650 -14.119 -1.094 419 HH22 ARG 52 2HH2 ARG 52 11.380 -14.946 0.240 420 H LYS 53 H LYS 53 7.629 -7.412 4.189 421 HA LYS 53 HA LYS 53 8.950 -7.306 6.808 422 HB2 LYS 53 2HB LYS 53 8.405 -5.155 4.759 423 HB3 LYS 53 1HB LYS 53 9.091 -4.841 6.346 424 HG2 LYS 53 2HG LYS 53 11.034 -6.155 5.827 425 HG3 LYS 53 1HG LYS 53 10.329 -6.655 4.288 426 HD2 LYS 53 2HD LYS 53 10.497 -3.746 4.723 427 HD3 LYS 53 1HD LYS 53 12.043 -4.583 4.569 428 HE2 LYS 53 2HE LYS 53 11.197 -5.616 2.466 429 HE3 LYS 53 1HE LYS 53 9.757 -4.608 2.605 430 HZ1 LYS 53 3HZ LYS 53 12.554 -3.672 2.269 431 HZ2 LYS 53 1HZ LYS 53 11.237 -2.650 2.560 432 HZ3 LYS 53 2HZ LYS 53 11.302 -3.560 1.136 433 H LYS 54 H LYS 54 7.065 -8.076 7.925 434 HA LYS 54 HA LYS 54 4.575 -6.718 7.816 435 HB2 LYS 54 2HB LYS 54 5.705 -8.970 9.206 436 HB3 LYS 54 1HB LYS 54 4.814 -7.963 10.338 437 HG2 LYS 54 2HG LYS 54 2.818 -8.473 9.429 438 HG3 LYS 54 1HG LYS 54 3.457 -8.523 7.785 439 HD2 LYS 54 2HD LYS 54 4.670 -10.684 8.693 440 HD3 LYS 54 1HD LYS 54 3.336 -10.667 9.849 441 HE2 LYS 54 2HE LYS 54 2.852 -12.043 7.863 442 HE3 LYS 54 1HE LYS 54 1.725 -10.700 8.049 443 HZ1 LYS 54 3HZ LYS 54 3.209 -11.319 5.815 444 HZ2 LYS 54 1HZ LYS 54 3.951 -9.941 6.457 445 HZ3 LYS 54 2HZ LYS 54 2.305 -9.914 6.073 446 H SER 55 H SER 55 7.503 -6.255 9.654 447 HA SER 55 HA SER 55 6.397 -4.566 11.654 448 HB2 SER 55 2HB SER 55 8.525 -5.699 12.014 449 HB3 SER 55 1HB SER 55 9.244 -4.823 10.663 450 HG SER 55 HG SER 55 9.613 -3.980 12.874 451 H LYS 56 H LYS 56 8.336 -3.845 8.751 452 HA LYS 56 HA LYS 56 8.057 -1.035 8.978 453 HB2 LYS 56 2HB LYS 56 9.692 -2.598 7.549 454 HB3 LYS 56 1HB LYS 56 8.501 -2.251 6.304 455 HG2 LYS 56 2HG LYS 56 8.900 0.087 6.455 456 HG3 LYS 56 1HG LYS 56 9.880 -0.115 7.908 457 HD2 LYS 56 2HD LYS 56 11.525 -1.395 6.593 458 HD3 LYS 56 1HD LYS 56 10.555 -1.120 5.143 459 HE2 LYS 56 2HE LYS 56 11.748 1.061 6.852 460 HE3 LYS 56 1HE LYS 56 12.473 0.441 5.369 461 HZ1 LYS 56 3HZ LYS 56 10.247 1.053 4.309 462 HZ2 LYS 56 1HZ LYS 56 11.308 2.315 4.694 463 HZ3 LYS 56 2HZ LYS 56 9.979 1.989 5.691 464 H LYS 57 H LYS 57 6.613 0.371 8.105 465 HA LYS 57 HA LYS 57 4.495 -0.684 6.374 466 HB2 LYS 57 2HB LYS 57 4.146 0.679 9.026 467 HB3 LYS 57 1HB LYS 57 2.912 0.832 7.781 468 HG2 LYS 57 2HG LYS 57 2.247 -1.329 7.975 469 HG3 LYS 57 1HG LYS 57 3.855 -1.900 8.429 470 HD2 LYS 57 2HD LYS 57 3.483 -1.586 10.629 471 HD3 LYS 57 1HD LYS 57 2.589 -0.086 10.365 472 HE2 LYS 57 2HE LYS 57 0.587 -1.232 9.916 473 HE3 LYS 57 1HE LYS 57 1.421 -2.770 9.696 474 HZ1 LYS 57 3HZ LYS 57 1.718 -1.522 12.303 475 HZ2 LYS 57 1HZ LYS 57 1.488 -3.149 11.900 476 HZ3 LYS 57 2HZ LYS 57 0.168 -2.091 11.936 477 H GLY 58 H GLY 58 3.609 0.801 4.941 478 HA2 GLY 58 2HA GLY 58 4.246 3.601 5.104 479 HA3 GLY 58 1HA GLY 58 5.170 2.764 3.870 480 H ILE 59 H ILE 59 3.844 4.576 2.728 481 HA ILE 59 HA ILE 59 1.238 3.482 1.900 482 HB ILE 59 HB ILE 59 0.922 5.833 0.914 483 HG12 ILE 59 2HG1 ILE 59 3.156 6.398 2.880 484 HG13 ILE 59 1HG1 ILE 59 3.265 6.556 1.130 485 HG21 ILE 59 1HG2 ILE 59 0.559 6.681 3.432 486 HG22 ILE 59 2HG2 ILE 59 0.766 4.955 3.730 487 HG23 ILE 59 3HG2 ILE 59 -0.503 5.515 2.642 488 HD11 ILE 59 3HD1 ILE 59 2.822 8.707 1.581 489 HD12 ILE 59 1HD1 ILE 59 2.050 8.339 3.123 490 HD13 ILE 59 2HD1 ILE 59 1.152 8.144 1.617 491 H PHE 60 H PHE 60 0.674 3.571 -0.345 492 HA PHE 60 HA PHE 60 2.781 4.064 -2.273 493 HB2 PHE 60 2HB PHE 60 2.568 1.794 -3.282 494 HB3 PHE 60 1HB PHE 60 3.294 1.782 -1.679 495 HD1 PHE 60 1HD PHE 60 -0.046 1.451 -3.304 496 HD2 PHE 60 2HD PHE 60 2.541 0.249 -0.147 497 HE1 PHE 60 1HE PHE 60 -1.723 -0.186 -2.559 498 HE2 PHE 60 2HE PHE 60 0.869 -1.394 0.601 499 HZ PHE 60 HZ PHE 60 -1.266 -1.612 -0.608 500 HA PRO 61 HA PRO 61 -0.666 5.197 -4.782 501 HB2 PRO 61 2HB PRO 61 0.343 4.860 -7.266 502 HB3 PRO 61 1HB PRO 61 0.879 6.160 -6.195 503 HG2 PRO 61 2HG PRO 61 2.169 3.514 -6.751 504 HG3 PRO 61 1HG PRO 61 2.915 5.120 -6.648 505 HD2 PRO 61 2HD PRO 61 2.990 3.343 -4.605 506 HD3 PRO 61 1HD PRO 61 2.938 5.099 -4.343 507 H ALA 62 H ALA 62 -2.438 4.296 -5.728 508 HA ALA 62 HA ALA 62 -2.703 1.466 -5.718 509 HB1 ALA 62 1HB ALA 62 -4.461 3.448 -5.444 510 HB2 ALA 62 2HB ALA 62 -4.930 1.828 -5.960 511 HB3 ALA 62 3HB ALA 62 -4.706 3.103 -7.156 512 H SER 63 H SER 63 -1.911 3.796 -8.169 513 HA SER 63 HA SER 63 -2.618 2.355 -10.464 514 HB2 SER 63 2HB SER 63 -0.489 4.434 -9.964 515 HB3 SER 63 1HB SER 63 -0.792 3.755 -11.564 516 HG SER 63 HG SER 63 -2.812 4.951 -9.978 517 H TYR 64 H TYR 64 -0.034 1.895 -8.223 518 HA TYR 64 HA TYR 64 1.212 -0.044 -10.056 519 HB2 TYR 64 2HB TYR 64 2.434 1.534 -7.789 520 HB3 TYR 64 1HB TYR 64 3.266 0.245 -8.658 521 HD1 TYR 64 2HD TYR 64 2.898 0.588 -11.378 522 HD2 TYR 64 1HD TYR 64 3.100 3.649 -8.432 523 HE1 TYR 64 2HE TYR 64 3.591 2.193 -13.104 524 HE2 TYR 64 1HE TYR 64 3.790 5.265 -10.150 525 HH TYR 64 HH TYR 64 4.784 5.318 -12.336 526 H ILE 65 H ILE 65 -1.064 -0.754 -8.627 527 HA ILE 65 HA ILE 65 0.040 -2.826 -6.866 528 HB ILE 65 HB ILE 65 -2.438 -1.240 -6.186 529 HG12 ILE 65 2HG1 ILE 65 -0.245 -0.004 -5.936 530 HG13 ILE 65 1HG1 ILE 65 -1.193 -0.163 -4.462 531 HG21 ILE 65 1HG2 ILE 65 -1.020 -3.524 -4.845 532 HG22 ILE 65 2HG2 ILE 65 -2.711 -3.415 -5.338 533 HG23 ILE 65 3HG2 ILE 65 -2.125 -2.460 -3.974 534 HD11 ILE 65 3HD1 ILE 65 1.272 -0.535 -4.222 535 HD12 ILE 65 1HD1 ILE 65 1.067 -2.010 -5.166 536 HD13 ILE 65 2HD1 ILE 65 0.247 -1.835 -3.615 537 H HIS 66 H HIS 66 -1.407 -4.663 -6.572 538 HA HIS 66 HA HIS 66 -3.607 -4.887 -8.474 539 HB2 HIS 66 2HB HIS 66 -1.597 -5.657 -9.691 540 HB3 HIS 66 1HB HIS 66 -1.298 -6.842 -8.425 541 HD1 HIS 66 1HD HIS 66 -2.666 -6.653 -11.668 542 HD2 HIS 66 2HD HIS 66 -3.802 -8.590 -8.172 543 HE1 HIS 66 1HE HIS 66 -4.210 -8.501 -12.395 544 HE2 HIS 66 2HE HIS 66 -4.944 -9.611 -10.255 545 H LEU 67 H LEU 67 -5.285 -5.849 -7.531 546 HA LEU 67 HA LEU 67 -5.021 -6.990 -4.913 547 HB2 LEU 67 2HB LEU 67 -7.437 -6.909 -6.720 548 HB3 LEU 67 1HB LEU 67 -7.443 -7.272 -5.006 549 HG LEU 67 HG LEU 67 -8.168 -5.072 -5.068 550 HD11 LEU 67 1HD1 LEU 67 -5.885 -5.562 -3.789 551 HD12 LEU 67 2HD1 LEU 67 -6.654 -3.975 -3.788 552 HD13 LEU 67 3HD1 LEU 67 -5.317 -4.307 -4.889 553 HD21 LEU 67 3HD2 LEU 67 -7.730 -3.534 -6.672 554 HD22 LEU 67 1HD2 LEU 67 -7.289 -4.978 -7.583 555 HD23 LEU 67 2HD2 LEU 67 -6.036 -4.003 -6.817 556 H LYS 68 H LYS 68 -4.643 -9.046 -4.422 557 HA LYS 68 HA LYS 68 -4.646 -11.040 -6.533 558 HB2 LYS 68 2HB LYS 68 -3.512 -10.825 -3.798 559 HB3 LYS 68 1HB LYS 68 -3.893 -12.443 -4.374 560 HG2 LYS 68 2HG LYS 68 -2.175 -10.496 -5.893 561 HG3 LYS 68 1HG LYS 68 -1.542 -11.702 -4.770 562 HD2 LYS 68 2HD LYS 68 -2.247 -13.490 -6.119 563 HD3 LYS 68 1HD LYS 68 -3.337 -12.465 -7.056 564 HE2 LYS 68 2HE LYS 68 -0.350 -12.099 -7.055 565 HE3 LYS 68 1HE LYS 68 -1.181 -13.159 -8.193 566 HZ1 LYS 68 3HZ LYS 68 -2.596 -10.936 -8.489 567 HZ2 LYS 68 1HZ LYS 68 -1.223 -11.285 -9.416 568 HZ3 LYS 68 2HZ LYS 68 -1.103 -10.256 -8.079 569 H GLU 69 H GLU 69 -5.435 -13.308 -5.821 570 HA GLU 69 HA GLU 69 -8.169 -12.978 -4.795 571 HB2 GLU 69 2HB GLU 69 -7.668 -13.905 -7.156 572 HB3 GLU 69 1HB GLU 69 -7.185 -15.375 -6.319 573 HG2 GLU 69 2HG GLU 69 -9.697 -14.581 -5.285 574 HG3 GLU 69 1HG GLU 69 -9.788 -14.512 -7.044 575 H ALA 70 H ALA 70 -5.693 -13.345 -3.178 576 HA ALA 70 HA ALA 70 -5.021 -14.461 -1.315 577 HB1 ALA 70 1HB ALA 70 -7.928 -14.968 -1.452 578 HB2 ALA 70 2HB ALA 70 -6.958 -14.253 -0.165 579 HB3 ALA 70 3HB ALA 70 -6.996 -16.005 -0.371 580 H ILE 71 H ILE 71 -3.482 -15.925 -1.670 581 HA ILE 71 HA ILE 71 -4.288 -18.569 -2.694 582 HB ILE 71 HB ILE 71 -1.861 -18.714 -3.516 583 HG12 ILE 71 2HG1 ILE 71 -2.124 -15.702 -3.360 584 HG13 ILE 71 1HG1 ILE 71 -1.098 -16.672 -2.308 585 HG21 ILE 71 1HG2 ILE 71 -3.987 -17.011 -4.772 586 HG22 ILE 71 2HG2 ILE 71 -3.546 -18.680 -5.135 587 HG23 ILE 71 3HG2 ILE 71 -2.470 -17.362 -5.601 588 HD11 ILE 71 3HD1 ILE 71 -0.548 -17.272 -5.059 589 HD12 ILE 71 1HD1 ILE 71 0.529 -16.661 -3.803 590 HD13 ILE 71 2HD1 ILE 71 -0.431 -15.538 -4.765 591 H VAL 72 H VAL 72 -4.360 -19.793 -0.897 592 HA VAL 72 HA VAL 72 -2.336 -19.507 1.169 593 HB VAL 72 HB VAL 72 -3.647 -21.321 2.319 594 HG11 VAL 72 1HG1 VAL 72 -5.148 -19.823 3.195 595 HG12 VAL 72 2HG1 VAL 72 -5.544 -19.132 1.621 596 HG13 VAL 72 3HG1 VAL 72 -4.016 -18.726 2.403 597 HG21 VAL 72 3HG2 VAL 72 -5.946 -20.885 0.530 598 HG22 VAL 72 1HG2 VAL 72 -5.433 -22.338 1.389 599 HG23 VAL 72 2HG2 VAL 72 -4.647 -21.885 -0.124 600 H GLU 73 H GLU 73 -0.875 -20.212 -0.823 601 HA GLU 73 HA GLU 73 -0.393 -23.095 -0.478 602 HB2 GLU 73 2HB GLU 73 -1.312 -22.087 -2.802 603 HB3 GLU 73 1HB GLU 73 0.415 -21.863 -3.049 604 HG2 GLU 73 2HG GLU 73 0.431 -23.956 -3.788 605 HG3 GLU 73 1HG GLU 73 0.261 -24.435 -2.100 606 H GLY 74 H GLY 74 0.789 -21.053 1.054 607 HA2 GLY 74 2HA GLY 74 3.318 -21.635 1.428 608 HA3 GLY 74 1HA GLY 74 3.478 -20.721 -0.065 Start of MODEL 6 1 H1 MET 1 1HT MET 1 -11.007 15.138 14.972 2 H2 MET 1 2HT MET 1 -11.136 13.897 13.794 3 H3 MET 1 3HT MET 1 -10.174 15.284 13.481 4 HA MET 1 HA MET 1 -8.583 14.681 15.006 5 HB2 MET 1 2HB MET 1 -10.851 13.270 16.161 6 HB3 MET 1 1HB MET 1 -9.407 12.269 16.135 7 HG2 MET 1 2HG MET 1 -9.110 15.045 17.112 8 HG3 MET 1 1HG MET 1 -9.988 13.910 18.138 9 HE1 MET 1 2HE MET 1 -6.068 14.998 18.425 10 HE2 MET 1 3HE MET 1 -6.919 14.473 19.877 11 HE3 MET 1 1HE MET 1 -7.708 15.566 18.740 12 H THR 2 H THR 2 -10.503 11.887 13.882 13 HA THR 2 HA THR 2 -8.096 10.840 12.572 14 HB THR 2 HB THR 2 -9.207 8.704 12.525 15 HG1 THR 2 1HG THR 2 -11.477 10.152 13.394 16 HG21 THR 2 3HG2 THR 2 -9.567 8.220 14.839 17 HG22 THR 2 1HG2 THR 2 -9.820 9.926 15.203 18 HG23 THR 2 2HG2 THR 2 -8.228 9.359 14.700 19 H ARG 3 H ARG 3 -8.331 9.857 10.431 20 HA ARG 3 HA ARG 3 -10.579 10.678 8.809 21 HB2 ARG 3 2HB ARG 3 -9.333 12.022 7.251 22 HB3 ARG 3 1HB ARG 3 -9.101 12.684 8.861 23 HG2 ARG 3 2HG ARG 3 -6.905 12.495 8.670 24 HG3 ARG 3 1HG ARG 3 -7.045 10.771 8.323 25 HD2 ARG 3 2HD ARG 3 -6.187 11.320 6.324 26 HD3 ARG 3 1HD ARG 3 -7.826 11.860 5.958 27 HE ARG 3 HE ARG 3 -6.185 13.871 7.198 28 HH11 ARG 3 1HH1 ARG 3 -7.140 12.409 4.176 29 HH12 ARG 3 2HH1 ARG 3 -6.734 13.801 3.230 30 HH21 ARG 3 1HH2 ARG 3 -5.652 15.703 5.956 31 HH22 ARG 3 2HH2 ARG 3 -5.889 15.672 4.242 32 H TRP 4 H TRP 4 -9.491 10.318 6.300 33 HA TRP 4 HA TRP 4 -8.929 8.719 4.784 34 HB2 TRP 4 2HB TRP 4 -7.002 8.455 6.911 35 HB3 TRP 4 1HB TRP 4 -7.355 6.873 6.227 36 HD1 TRP 4 HD TRP 4 -7.302 10.052 4.085 37 HE1 TRP 4 1HE TRP 4 -5.378 9.866 2.385 38 HE3 TRP 4 3HE TRP 4 -5.157 5.781 5.804 39 HZ2 TRP 4 2HZ TRP 4 -3.218 8.111 1.850 40 HZ3 TRP 4 3HZ TRP 4 -3.166 4.900 4.655 41 HH2 TRP 4 HH TRP 4 -2.217 6.042 2.717 42 H VAL 5 H VAL 5 -10.304 7.238 4.077 43 HA VAL 5 HA VAL 5 -12.203 5.945 5.627 44 HB VAL 5 HB VAL 5 -12.310 4.293 3.622 45 HG11 VAL 5 1HG1 VAL 5 -14.017 5.842 3.725 46 HG12 VAL 5 2HG1 VAL 5 -13.257 6.249 2.186 47 HG13 VAL 5 3HG1 VAL 5 -12.921 7.218 3.621 48 HG21 VAL 5 3HG2 VAL 5 -10.763 6.432 2.212 49 HG22 VAL 5 1HG2 VAL 5 -11.139 4.791 1.687 50 HG23 VAL 5 2HG2 VAL 5 -9.929 5.061 2.940 51 HA PRO 6 HA PRO 6 -10.092 2.396 7.228 52 HB2 PRO 6 2HB PRO 6 -12.159 0.857 7.907 53 HB3 PRO 6 1HB PRO 6 -11.901 2.423 8.687 54 HG2 PRO 6 2HG PRO 6 -13.839 1.667 6.544 55 HG3 PRO 6 1HG PRO 6 -14.060 2.757 7.922 56 HD2 PRO 6 2HD PRO 6 -13.476 3.540 5.309 57 HD3 PRO 6 1HD PRO 6 -13.269 4.544 6.757 58 H THR 7 H THR 7 -10.036 2.381 4.408 59 HA THR 7 HA THR 7 -9.996 1.054 2.551 60 HB THR 7 HB THR 7 -8.055 0.128 3.350 61 HG1 THR 7 1HG THR 7 -9.697 -2.173 3.460 62 HG21 THR 7 3HG2 THR 7 -7.803 -1.277 5.289 63 HG22 THR 7 1HG2 THR 7 -9.544 -1.255 5.563 64 HG23 THR 7 2HG2 THR 7 -8.607 0.230 5.730 65 H LYS 8 H LYS 8 -12.046 0.842 1.808 66 HA LYS 8 HA LYS 8 -13.456 -1.624 2.588 67 HB2 LYS 8 2HB LYS 8 -14.436 1.161 2.408 68 HB3 LYS 8 1HB LYS 8 -15.485 -0.059 1.697 69 HG2 LYS 8 2HG LYS 8 -14.634 -1.026 4.219 70 HG3 LYS 8 1HG LYS 8 -15.165 0.644 4.430 71 HD2 LYS 8 2HD LYS 8 -17.169 -0.426 4.669 72 HD3 LYS 8 1HD LYS 8 -17.175 -0.189 2.921 73 HE2 LYS 8 2HE LYS 8 -16.920 -2.392 2.488 74 HE3 LYS 8 1HE LYS 8 -15.866 -2.650 3.876 75 HZ1 LYS 8 3HZ LYS 8 -18.820 -2.566 3.814 76 HZ2 LYS 8 1HZ LYS 8 -17.957 -2.382 5.258 77 HZ3 LYS 8 2HZ LYS 8 -17.815 -3.811 4.363 78 H ARG 9 H ARG 9 -15.155 -2.192 0.837 79 HA ARG 9 HA ARG 9 -15.556 -2.920 -1.282 80 HB2 ARG 9 2HB ARG 9 -14.887 -0.154 -1.501 81 HB3 ARG 9 1HB ARG 9 -14.185 -0.996 -2.876 82 HG2 ARG 9 2HG ARG 9 -16.936 -1.788 -2.314 83 HG3 ARG 9 1HG ARG 9 -16.755 -0.076 -2.703 84 HD2 ARG 9 2HD ARG 9 -15.772 -2.396 -4.361 85 HD3 ARG 9 1HD ARG 9 -17.171 -1.385 -4.715 86 HE ARG 9 HE ARG 9 -14.720 0.092 -4.457 87 HH11 ARG 9 1HH1 ARG 9 -16.747 -1.722 -6.642 88 HH12 ARG 9 2HH1 ARG 9 -16.120 -0.951 -8.062 89 HH21 ARG 9 1HH2 ARG 9 -13.896 1.107 -6.320 90 HH22 ARG 9 2HH2 ARG 9 -14.502 0.656 -7.878 91 H GLU 10 H GLU 10 -13.104 -3.709 0.115 92 HA GLU 10 HA GLU 10 -11.544 -4.532 -2.240 93 HB2 GLU 10 2HB GLU 10 -10.652 -3.037 0.089 94 HB3 GLU 10 1HB GLU 10 -9.740 -4.527 -0.113 95 HG2 GLU 10 2HG GLU 10 -8.670 -3.773 -1.924 96 HG3 GLU 10 1HG GLU 10 -10.114 -3.007 -2.583 97 H GLU 11 H GLU 11 -9.882 -6.339 -1.325 98 HA GLU 11 HA GLU 11 -11.625 -8.347 -0.075 99 HB2 GLU 11 2HB GLU 11 -9.707 -8.415 -2.265 100 HB3 GLU 11 1HB GLU 11 -9.400 -9.678 -1.082 101 HG2 GLU 11 2HG GLU 11 -10.981 -10.886 -2.039 102 HG3 GLU 11 1HG GLU 11 -12.164 -9.694 -1.500 103 H LYS 12 H LYS 12 -8.088 -8.224 -0.313 104 HA LYS 12 HA LYS 12 -7.836 -7.911 2.563 105 HB2 LYS 12 2HB LYS 12 -7.184 -10.438 1.092 106 HB3 LYS 12 1HB LYS 12 -6.229 -9.975 2.495 107 HG2 LYS 12 2HG LYS 12 -7.768 -10.829 3.833 108 HG3 LYS 12 1HG LYS 12 -8.969 -9.713 3.181 109 HD2 LYS 12 2HD LYS 12 -9.875 -11.277 1.813 110 HD3 LYS 12 1HD LYS 12 -8.325 -12.065 1.513 111 HE2 LYS 12 2HE LYS 12 -9.031 -13.681 2.878 112 HE3 LYS 12 1HE LYS 12 -8.783 -12.536 4.195 113 HZ1 LYS 12 3HZ LYS 12 -11.317 -12.371 2.764 114 HZ2 LYS 12 1HZ LYS 12 -10.988 -12.167 4.410 115 HZ3 LYS 12 2HZ LYS 12 -11.095 -13.722 3.757 116 H TYR 13 H TYR 13 -5.614 -9.276 0.155 117 HA TYR 13 HA TYR 13 -4.041 -6.803 0.246 118 HB2 TYR 13 2HB TYR 13 -1.959 -8.267 0.376 119 HB3 TYR 13 1HB TYR 13 -2.906 -8.119 1.853 120 HD1 TYR 13 2HD TYR 13 -2.764 -10.328 -1.166 121 HD2 TYR 13 1HD TYR 13 -3.255 -10.053 3.051 122 HE1 TYR 13 2HE TYR 13 -2.924 -12.779 -1.030 123 HE2 TYR 13 1HE TYR 13 -3.415 -12.502 3.200 124 HH TYR 13 HH TYR 13 -3.941 -14.400 1.814 125 H GLY 14 H GLY 14 -2.204 -6.925 -1.421 126 HA2 GLY 14 2HA GLY 14 -2.907 -8.562 -3.744 127 HA3 GLY 14 1HA GLY 14 -2.945 -6.816 -3.937 128 H VAL 15 H VAL 15 -1.329 -7.236 -5.612 129 HA VAL 15 HA VAL 15 1.365 -7.601 -4.469 130 HB VAL 15 HB VAL 15 0.556 -8.113 -7.333 131 HG11 VAL 15 1HG1 VAL 15 2.916 -7.493 -6.968 132 HG12 VAL 15 2HG1 VAL 15 2.731 -9.151 -7.543 133 HG13 VAL 15 3HG1 VAL 15 3.075 -8.840 -5.841 134 HG21 VAL 15 3HG2 VAL 15 0.477 -9.832 -4.936 135 HG22 VAL 15 1HG2 VAL 15 1.193 -10.548 -6.381 136 HG23 VAL 15 2HG2 VAL 15 -0.455 -9.921 -6.431 137 H ALA 16 H ALA 16 2.972 -6.164 -5.022 138 HA ALA 16 HA ALA 16 2.097 -3.768 -6.503 139 HB1 ALA 16 1HB ALA 16 3.572 -4.092 -3.965 140 HB2 ALA 16 2HB ALA 16 2.464 -2.821 -4.480 141 HB3 ALA 16 3HB ALA 16 4.135 -2.815 -5.044 142 H PHE 17 H PHE 17 3.033 -3.668 -8.447 143 HA PHE 17 HA PHE 17 5.755 -4.744 -8.733 144 HB2 PHE 17 2HB PHE 17 5.276 -4.911 -11.145 145 HB3 PHE 17 1HB PHE 17 4.130 -5.838 -10.184 146 HD1 PHE 17 1HD PHE 17 1.858 -4.797 -9.713 147 HD2 PHE 17 2HD PHE 17 4.539 -3.304 -12.661 148 HE1 PHE 17 1HE PHE 17 -0.010 -3.639 -10.819 149 HE2 PHE 17 2HE PHE 17 2.677 -2.140 -13.770 150 HZ PHE 17 HZ PHE 17 0.399 -2.306 -12.849 151 H TYR 18 H TYR 18 6.926 -2.971 -8.090 152 HA TYR 18 HA TYR 18 7.285 -0.935 -10.074 153 HB2 TYR 18 2HB TYR 18 5.386 -0.351 -8.165 154 HB3 TYR 18 1HB TYR 18 6.838 0.393 -7.503 155 HD1 TYR 18 1HD TYR 18 4.693 0.263 -10.533 156 HD2 TYR 18 2HD TYR 18 7.623 2.440 -8.346 157 HE1 TYR 18 1HE TYR 18 4.388 2.178 -12.044 158 HE2 TYR 18 2HE TYR 18 7.325 4.363 -9.851 159 HH TYR 18 HH TYR 18 5.980 4.228 -12.763 160 H ASN 19 H ASN 19 8.947 0.740 -9.204 161 HA ASN 19 HA ASN 19 10.911 -0.685 -7.531 162 HB2 ASN 19 2HB ASN 19 12.643 0.619 -8.895 163 HB3 ASN 19 1HB ASN 19 11.831 -0.715 -9.711 164 HD21 ASN 19 1HD2 ASN 19 11.467 -0.224 -11.739 165 HD22 ASN 19 2HD2 ASN 19 10.925 1.303 -12.340 166 H TYR 20 H TYR 20 9.406 0.676 -6.014 167 HA TYR 20 HA TYR 20 10.335 3.443 -5.807 168 HB2 TYR 20 2HB TYR 20 7.897 2.977 -5.711 169 HB3 TYR 20 1HB TYR 20 8.159 2.023 -4.256 170 HD1 TYR 20 2HD TYR 20 9.920 5.190 -4.973 171 HD2 TYR 20 1HD TYR 20 6.765 3.318 -2.817 172 HE1 TYR 20 2HE TYR 20 9.660 7.216 -3.605 173 HE2 TYR 20 1HE TYR 20 6.494 5.340 -1.445 174 HH TYR 20 HH TYR 20 8.446 7.454 -0.879 175 H ASP 21 H ASP 21 11.449 4.236 -4.077 176 HA ASP 21 HA ASP 21 12.248 2.310 -1.998 177 HB2 ASP 21 2HB ASP 21 14.054 2.708 -3.701 178 HB3 ASP 21 1HB ASP 21 14.070 4.399 -3.208 179 H ALA 22 H ALA 22 11.432 2.988 -0.134 180 HA ALA 22 HA ALA 22 10.438 5.533 0.399 181 HB1 ALA 22 1HB ALA 22 10.740 4.750 2.861 182 HB2 ALA 22 2HB ALA 22 11.207 3.218 2.123 183 HB3 ALA 22 3HB ALA 22 9.612 3.901 1.805 184 H ARG 23 H ARG 23 11.194 7.221 1.742 185 HA ARG 23 HA ARG 23 14.125 7.452 1.773 186 HB2 ARG 23 2HB ARG 23 12.244 9.154 0.702 187 HB3 ARG 23 1HB ARG 23 12.588 9.900 2.256 188 HG2 ARG 23 2HG ARG 23 14.360 10.840 1.323 189 HG3 ARG 23 1HG ARG 23 15.085 9.236 1.225 190 HD2 ARG 23 2HD ARG 23 15.060 9.402 -0.989 191 HD3 ARG 23 1HD ARG 23 13.298 9.437 -0.941 192 HE ARG 23 HE ARG 23 14.178 12.012 -0.400 193 HH11 ARG 23 1HH1 ARG 23 14.315 9.732 -3.039 194 HH12 ARG 23 2HH1 ARG 23 14.367 10.959 -4.260 195 HH21 ARG 23 1HH2 ARG 23 14.247 13.625 -2.004 196 HH22 ARG 23 2HH2 ARG 23 14.327 13.169 -3.673 197 H GLY 24 H GLY 24 11.301 7.367 3.760 198 HA2 GLY 24 2HA GLY 24 13.007 7.594 6.129 199 HA3 GLY 24 1HA GLY 24 11.633 8.682 6.008 200 H ALA 25 H ALA 25 11.250 7.471 8.125 201 HA ALA 25 HA ALA 25 10.327 4.775 7.998 202 HB1 ALA 25 1HB ALA 25 9.357 6.467 10.206 203 HB2 ALA 25 2HB ALA 25 11.109 6.379 10.021 204 HB3 ALA 25 3HB ALA 25 10.170 4.903 10.243 205 H ASP 26 H ASP 26 8.831 7.907 7.620 206 HA ASP 26 HA ASP 26 6.151 7.221 8.017 207 HB2 ASP 26 2HB ASP 26 7.450 9.522 7.405 208 HB3 ASP 26 1HB ASP 26 6.709 9.156 5.850 209 H GLU 27 H GLU 27 8.275 6.713 5.294 210 HA GLU 27 HA GLU 27 6.042 5.559 3.761 211 HB2 GLU 27 2HB GLU 27 8.561 6.939 2.994 212 HB3 GLU 27 1HB GLU 27 8.011 5.640 1.945 213 HG2 GLU 27 2HG GLU 27 6.790 7.197 0.935 214 HG3 GLU 27 1HG GLU 27 5.722 7.087 2.334 215 H LEU 28 H LEU 28 6.982 3.773 2.184 216 HA LEU 28 HA LEU 28 8.879 2.039 3.566 217 HB2 LEU 28 2HB LEU 28 6.717 1.361 4.445 218 HB3 LEU 28 1HB LEU 28 6.078 1.199 2.822 219 HG LEU 28 HG LEU 28 8.463 -0.432 3.452 220 HD11 LEU 28 1HD1 LEU 28 6.643 -2.144 4.356 221 HD12 LEU 28 2HD1 LEU 28 5.904 -0.647 4.924 222 HD13 LEU 28 3HD1 LEU 28 7.541 -1.068 5.425 223 HD21 LEU 28 3HD2 LEU 28 5.901 -1.356 2.220 224 HD22 LEU 28 1HD2 LEU 28 7.550 -1.903 1.917 225 HD23 LEU 28 2HD2 LEU 28 7.012 -0.340 1.301 226 H SER 29 H SER 29 10.152 0.931 2.202 227 HA SER 29 HA SER 29 10.136 1.543 -0.554 228 HB2 SER 29 2HB SER 29 12.099 0.800 1.000 229 HB3 SER 29 1HB SER 29 11.605 -0.831 0.547 230 HG SER 29 HG SER 29 13.207 0.018 -0.858 231 H LEU 30 H LEU 30 9.462 0.427 -2.320 232 HA LEU 30 HA LEU 30 8.149 -2.166 -1.882 233 HB2 LEU 30 2HB LEU 30 6.958 0.334 -2.786 234 HB3 LEU 30 1HB LEU 30 6.704 -0.973 -3.929 235 HG LEU 30 HG LEU 30 5.938 -1.026 -1.008 236 HD11 LEU 30 1HD1 LEU 30 3.921 -1.212 -3.152 237 HD12 LEU 30 2HD1 LEU 30 4.668 0.368 -2.912 238 HD13 LEU 30 3HD1 LEU 30 3.838 -0.429 -1.575 239 HD21 LEU 30 3HD2 LEU 30 6.562 -3.177 -2.541 240 HD22 LEU 30 1HD2 LEU 30 4.837 -3.012 -2.866 241 HD23 LEU 30 2HD2 LEU 30 5.408 -3.199 -1.208 242 H GLN 31 H GLN 31 8.550 -3.686 -3.397 243 HA GLN 31 HA GLN 31 9.908 -2.848 -5.867 244 HB2 GLN 31 2HB GLN 31 10.703 -5.175 -4.110 245 HB3 GLN 31 1HB GLN 31 11.416 -4.788 -5.670 246 HG2 GLN 31 2HG GLN 31 11.892 -2.480 -4.540 247 HG3 GLN 31 1HG GLN 31 11.713 -3.406 -3.052 248 HE21 GLN 31 1HE2 GLN 31 13.953 -2.835 -2.706 249 HE22 GLN 31 2HE2 GLN 31 15.195 -3.782 -3.444 250 H ILE 32 H ILE 32 9.872 -4.519 -7.570 251 HA ILE 32 HA ILE 32 7.243 -5.536 -7.914 252 HB ILE 32 HB ILE 32 9.690 -6.205 -9.552 253 HG12 ILE 32 2HG1 ILE 32 7.724 -4.109 -10.361 254 HG13 ILE 32 1HG1 ILE 32 8.931 -3.693 -9.147 255 HG21 ILE 32 1HG2 ILE 32 8.338 -7.202 -11.042 256 HG22 ILE 32 2HG2 ILE 32 7.052 -6.015 -10.824 257 HG23 ILE 32 3HG2 ILE 32 7.229 -7.344 -9.678 258 HD11 ILE 32 3HD1 ILE 32 9.698 -3.052 -11.336 259 HD12 ILE 32 1HD1 ILE 32 9.466 -4.695 -11.933 260 HD13 ILE 32 2HD1 ILE 32 10.700 -4.364 -10.715 261 H GLY 33 H GLY 33 6.433 -7.564 -7.738 262 HA2 GLY 33 2HA GLY 33 6.544 -9.916 -7.546 263 HA3 GLY 33 1HA GLY 33 8.244 -9.778 -7.130 264 H ASP 34 H ASP 34 6.957 -7.479 -5.281 265 HA ASP 34 HA ASP 34 6.764 -9.269 -2.982 266 HB2 ASP 34 2HB ASP 34 7.232 -6.314 -3.291 267 HB3 ASP 34 1HB ASP 34 6.785 -7.003 -1.734 268 H THR 35 H THR 35 5.051 -9.187 -1.499 269 HA THR 35 HA THR 35 2.531 -8.232 -2.664 270 HB THR 35 HB THR 35 2.891 -10.162 -0.366 271 HG1 THR 35 1HG THR 35 3.808 -10.997 -2.287 272 HG21 THR 35 3HG2 THR 35 0.678 -10.594 -0.431 273 HG22 THR 35 1HG2 THR 35 0.543 -10.244 -2.155 274 HG23 THR 35 2HG2 THR 35 0.626 -8.922 -0.990 275 H VAL 36 H VAL 36 1.104 -6.953 -1.481 276 HA VAL 36 HA VAL 36 2.076 -5.937 1.099 277 HB VAL 36 HB VAL 36 1.356 -3.644 0.425 278 HG11 VAL 36 1HG1 VAL 36 3.672 -5.100 -0.681 279 HG12 VAL 36 2HG1 VAL 36 3.614 -3.681 0.362 280 HG13 VAL 36 3HG1 VAL 36 3.343 -3.511 -1.372 281 HG21 VAL 36 3HG2 VAL 36 1.604 -4.250 -2.436 282 HG22 VAL 36 1HG2 VAL 36 0.514 -3.144 -1.599 283 HG23 VAL 36 2HG2 VAL 36 0.138 -4.864 -1.675 284 H HIS 37 H HIS 37 0.546 -5.577 2.609 285 HA HIS 37 HA HIS 37 -2.214 -6.251 1.884 286 HB2 HIS 37 2HB HIS 37 -1.306 -7.587 3.685 287 HB3 HIS 37 1HB HIS 37 -0.807 -6.144 4.560 288 HD1 HIS 37 1HD HIS 37 -3.705 -8.365 3.967 289 HD2 HIS 37 2HD HIS 37 -2.946 -4.708 5.787 290 HE1 HIS 37 1HE HIS 37 -5.736 -7.879 5.368 291 HE2 HIS 37 2HE HIS 37 -5.219 -5.700 6.524 292 H ILE 38 H ILE 38 -3.371 -4.519 1.327 293 HA ILE 38 HA ILE 38 -2.810 -1.874 2.118 294 HB ILE 38 HB ILE 38 -5.445 -2.936 1.099 295 HG12 ILE 38 2HG1 ILE 38 -3.960 -1.647 -0.946 296 HG13 ILE 38 1HG1 ILE 38 -2.877 -2.804 -0.179 297 HG21 ILE 38 1HG2 ILE 38 -5.990 -0.809 1.671 298 HG22 ILE 38 2HG2 ILE 38 -5.280 -0.473 0.092 299 HG23 ILE 38 3HG2 ILE 38 -4.327 -0.232 1.555 300 HD11 ILE 38 3HD1 ILE 38 -4.989 -4.380 -0.459 301 HD12 ILE 38 1HD1 ILE 38 -3.800 -4.153 -1.740 302 HD13 ILE 38 2HD1 ILE 38 -5.320 -3.259 -1.779 303 H LEU 39 H LEU 39 -2.872 -1.281 4.191 304 HA LEU 39 HA LEU 39 -4.908 -2.310 5.986 305 HB2 LEU 39 2HB LEU 39 -2.625 -2.093 6.800 306 HB3 LEU 39 1HB LEU 39 -2.628 -0.379 6.431 307 HG LEU 39 HG LEU 39 -4.640 -1.474 8.356 308 HD11 LEU 39 1HD1 LEU 39 -2.246 -2.237 8.908 309 HD12 LEU 39 2HD1 LEU 39 -3.181 -1.427 10.164 310 HD13 LEU 39 3HD1 LEU 39 -1.947 -0.537 9.272 311 HD21 LEU 39 3HD2 LEU 39 -5.154 0.707 8.192 312 HD22 LEU 39 1HD2 LEU 39 -3.574 1.136 7.537 313 HD23 LEU 39 2HD2 LEU 39 -3.782 0.930 9.275 314 H GLU 40 H GLU 40 -4.201 0.568 4.174 315 HA GLU 40 HA GLU 40 -6.812 1.648 4.846 316 HB2 GLU 40 2HB GLU 40 -4.467 2.626 6.102 317 HB3 GLU 40 1HB GLU 40 -4.962 3.840 4.934 318 HG2 GLU 40 2HG GLU 40 -6.807 4.396 6.090 319 HG3 GLU 40 1HG GLU 40 -7.116 2.738 6.604 320 H THR 41 H THR 41 -7.578 3.178 3.308 321 HA THR 41 HA THR 41 -5.907 3.465 0.904 322 HB THR 41 HB THR 41 -7.538 1.658 0.542 323 HG1 THR 41 1HG THR 41 -7.869 2.340 -1.420 324 HG21 THR 41 3HG2 THR 41 -9.283 2.848 2.085 325 HG22 THR 41 1HG2 THR 41 -9.802 1.839 0.735 326 HG23 THR 41 2HG2 THR 41 -9.788 3.595 0.569 327 H TYR 42 H TYR 42 -6.978 5.096 -0.659 328 HA TYR 42 HA TYR 42 -8.705 7.090 0.291 329 HB2 TYR 42 2HB TYR 42 -6.775 7.531 1.817 330 HB3 TYR 42 1HB TYR 42 -5.793 7.895 0.402 331 HD1 TYR 42 1HD TYR 42 -9.014 8.914 2.000 332 HD2 TYR 42 2HD TYR 42 -5.630 10.096 -0.293 333 HE1 TYR 42 1HE TYR 42 -9.785 11.248 2.076 334 HE2 TYR 42 2HE TYR 42 -6.391 12.433 -0.222 335 HH TYR 42 HH TYR 42 -9.512 13.319 0.830 336 H GLU 43 H GLU 43 -8.147 5.585 -2.109 337 HA GLU 43 HA GLU 43 -8.096 5.846 -4.364 338 HB2 GLU 43 2HB GLU 43 -9.576 7.958 -3.355 339 HB3 GLU 43 1HB GLU 43 -8.428 8.745 -4.430 340 HG2 GLU 43 2HG GLU 43 -10.172 6.433 -5.241 341 HG3 GLU 43 1HG GLU 43 -10.600 8.126 -5.480 342 H GLY 44 H GLY 44 -6.008 5.402 -4.895 343 HA2 GLY 44 2HA GLY 44 -3.943 5.844 -5.815 344 HA3 GLY 44 1HA GLY 44 -4.408 7.538 -5.889 345 H TRP 45 H TRP 45 -4.349 5.620 -2.958 346 HA TRP 45 HA TRP 45 -1.795 6.242 -2.043 347 HB2 TRP 45 2HB TRP 45 -3.197 8.545 -2.161 348 HB3 TRP 45 1HB TRP 45 -3.661 8.004 -0.558 349 HD1 TRP 45 HD TRP 45 -2.378 10.333 0.154 350 HE1 TRP 45 1HE TRP 45 0.080 10.720 0.785 351 HE3 TRP 45 3HE TRP 45 -0.294 6.116 -1.915 352 HZ2 TRP 45 2HZ TRP 45 2.556 9.438 0.460 353 HZ3 TRP 45 3HZ TRP 45 2.131 5.793 -1.702 354 HH2 TRP 45 HH TRP 45 3.526 7.418 -0.538 355 H TYR 46 H TYR 46 -1.945 4.153 -1.225 356 HA TYR 46 HA TYR 46 -3.839 3.802 1.009 357 HB2 TYR 46 2HB TYR 46 -2.675 1.498 -0.528 358 HB3 TYR 46 1HB TYR 46 -4.129 1.542 0.459 359 HD1 TYR 46 2HD TYR 46 -5.261 4.125 -0.792 360 HD2 TYR 46 1HD TYR 46 -3.659 0.564 -2.477 361 HE1 TYR 46 2HE TYR 46 -6.617 4.478 -2.811 362 HE2 TYR 46 1HE TYR 46 -5.012 0.905 -4.500 363 HH TYR 46 HH TYR 46 -7.586 2.819 -4.691 364 H ARG 47 H ARG 47 -3.133 2.780 2.871 365 HA ARG 47 HA ARG 47 -0.209 2.568 3.152 366 HB2 ARG 47 2HB ARG 47 -1.247 4.369 4.500 367 HB3 ARG 47 1HB ARG 47 -2.259 3.170 5.292 368 HG2 ARG 47 2HG ARG 47 -0.171 2.058 6.097 369 HG3 ARG 47 1HG ARG 47 0.732 3.434 5.457 370 HD2 ARG 47 2HD ARG 47 -1.186 4.686 6.919 371 HD3 ARG 47 1HD ARG 47 -0.940 3.218 7.864 372 HE ARG 47 HE ARG 47 1.579 4.133 7.367 373 HH11 ARG 47 1HH1 ARG 47 -1.283 5.507 8.814 374 HH12 ARG 47 2HH1 ARG 47 -0.398 6.554 9.872 375 HH21 ARG 47 1HH2 ARG 47 2.746 5.508 8.758 376 HH22 ARG 47 2HH2 ARG 47 1.889 6.555 9.840 377 H GLY 48 H GLY 48 0.603 0.619 3.611 378 HA2 GLY 48 2HA GLY 48 -0.983 -1.303 5.114 379 HA3 GLY 48 1HA GLY 48 -0.600 -1.753 3.460 380 H TYR 49 H TYR 49 0.431 -3.585 4.597 381 HA TYR 49 HA TYR 49 3.225 -2.914 5.196 382 HB2 TYR 49 2HB TYR 49 3.188 -4.745 6.941 383 HB3 TYR 49 1HB TYR 49 2.304 -3.283 7.362 384 HD1 TYR 49 1HD TYR 49 -0.157 -3.282 7.393 385 HD2 TYR 49 2HD TYR 49 2.049 -6.837 6.616 386 HE1 TYR 49 1HE TYR 49 -2.171 -4.622 7.834 387 HE2 TYR 49 2HE TYR 49 0.040 -8.185 7.052 388 HH TYR 49 HH TYR 49 -2.110 -7.915 8.364 389 H THR 50 H THR 50 4.616 -4.065 4.031 390 HA THR 50 HA THR 50 3.787 -5.914 2.091 391 HB THR 50 HB THR 50 6.477 -6.439 2.439 392 HG1 THR 50 1HG THR 50 6.178 -3.682 2.938 393 HG21 THR 50 3HG2 THR 50 6.886 -5.071 0.578 394 HG22 THR 50 1HG2 THR 50 5.492 -4.046 0.925 395 HG23 THR 50 2HG2 THR 50 5.252 -5.701 0.362 396 H LEU 51 H LEU 51 3.955 -8.144 1.946 397 HA LEU 51 HA LEU 51 3.385 -9.635 4.232 398 HB2 LEU 51 2HB LEU 51 4.154 -10.286 1.434 399 HB3 LEU 51 1HB LEU 51 4.240 -11.574 2.620 400 HG LEU 51 HG LEU 51 2.105 -11.536 1.368 401 HD11 LEU 51 1HD1 LEU 51 2.312 -11.335 4.308 402 HD12 LEU 51 2HD1 LEU 51 1.712 -12.650 3.297 403 HD13 LEU 51 3HD1 LEU 51 0.690 -11.247 3.620 404 HD21 LEU 51 3HD2 LEU 51 0.505 -9.790 1.690 405 HD22 LEU 51 1HD2 LEU 51 2.012 -9.052 1.149 406 HD23 LEU 51 2HD2 LEU 51 1.552 -8.972 2.850 407 H ARG 52 H ARG 52 6.437 -8.805 2.763 408 HA ARG 52 HA ARG 52 7.955 -10.723 4.289 409 HB2 ARG 52 2HB ARG 52 8.754 -8.405 2.528 410 HB3 ARG 52 1HB ARG 52 9.921 -9.414 3.371 411 HG2 ARG 52 2HG ARG 52 8.333 -11.252 2.084 412 HG3 ARG 52 1HG ARG 52 8.428 -9.922 0.928 413 HD2 ARG 52 2HD ARG 52 10.250 -11.328 0.428 414 HD3 ARG 52 1HD ARG 52 10.933 -9.959 1.304 415 HE ARG 52 HE ARG 52 11.530 -11.381 3.000 416 HH11 ARG 52 1HH1 ARG 52 9.269 -13.005 0.894 417 HH12 ARG 52 2HH1 ARG 52 9.480 -14.548 1.651 418 HH21 ARG 52 1HH2 ARG 52 11.808 -13.409 3.998 419 HH22 ARG 52 2HH2 ARG 52 10.921 -14.779 3.414 420 H LYS 53 H LYS 53 7.243 -7.271 4.453 421 HA LYS 53 HA LYS 53 8.665 -7.137 7.027 422 HB2 LYS 53 2HB LYS 53 8.216 -5.198 4.835 423 HB3 LYS 53 1HB LYS 53 8.121 -4.548 6.467 424 HG2 LYS 53 2HG LYS 53 10.327 -4.351 6.405 425 HG3 LYS 53 1HG LYS 53 10.407 -6.113 6.498 426 HD2 LYS 53 2HD LYS 53 11.692 -5.626 4.621 427 HD3 LYS 53 1HD LYS 53 10.121 -6.032 3.931 428 HE2 LYS 53 2HE LYS 53 9.785 -3.395 4.273 429 HE3 LYS 53 1HE LYS 53 11.532 -3.436 4.055 430 HZ1 LYS 53 3HZ LYS 53 9.800 -4.885 2.170 431 HZ2 LYS 53 1HZ LYS 53 11.337 -4.221 1.919 432 HZ3 LYS 53 2HZ LYS 53 9.984 -3.210 2.010 433 H LYS 54 H LYS 54 6.770 -8.248 7.958 434 HA LYS 54 HA LYS 54 4.251 -6.885 8.047 435 HB2 LYS 54 2HB LYS 54 5.405 -9.320 9.335 436 HB3 LYS 54 1HB LYS 54 3.944 -8.615 10.014 437 HG2 LYS 54 2HG LYS 54 2.771 -8.904 7.941 438 HG3 LYS 54 1HG LYS 54 4.248 -9.439 7.135 439 HD2 LYS 54 2HD LYS 54 4.187 -11.508 8.099 440 HD3 LYS 54 1HD LYS 54 3.386 -10.922 9.558 441 HE2 LYS 54 2HE LYS 54 2.021 -11.095 6.881 442 HE3 LYS 54 1HE LYS 54 2.000 -12.405 8.059 443 HZ1 LYS 54 3HZ LYS 54 0.025 -11.051 8.255 444 HZ2 LYS 54 1HZ LYS 54 0.957 -9.658 8.488 445 HZ3 LYS 54 2HZ LYS 54 0.968 -10.887 9.650 446 H SER 55 H SER 55 7.184 -6.430 9.657 447 HA SER 55 HA SER 55 5.991 -5.421 12.107 448 HB2 SER 55 2HB SER 55 8.505 -4.804 12.517 449 HB3 SER 55 1HB SER 55 7.994 -6.489 12.607 450 HG SER 55 HG SER 55 9.158 -5.217 10.350 451 H LYS 56 H LYS 56 7.342 -4.229 9.119 452 HA LYS 56 HA LYS 56 7.190 -1.470 10.090 453 HB2 LYS 56 2HB LYS 56 9.057 -2.748 8.505 454 HB3 LYS 56 1HB LYS 56 8.099 -1.848 7.337 455 HG2 LYS 56 2HG LYS 56 9.022 -0.426 9.774 456 HG3 LYS 56 1HG LYS 56 10.207 -0.794 8.519 457 HD2 LYS 56 2HD LYS 56 9.240 0.614 7.002 458 HD3 LYS 56 1HD LYS 56 7.622 0.403 7.675 459 HE2 LYS 56 2HE LYS 56 9.869 2.081 8.776 460 HE3 LYS 56 1HE LYS 56 8.325 2.639 8.135 461 HZ1 LYS 56 3HZ LYS 56 7.852 2.691 10.335 462 HZ2 LYS 56 1HZ LYS 56 8.942 1.459 10.733 463 HZ3 LYS 56 2HZ LYS 56 7.442 1.076 10.051 464 H LYS 57 H LYS 57 6.069 0.142 8.905 465 HA LYS 57 HA LYS 57 4.021 -0.870 7.051 466 HB2 LYS 57 2HB LYS 57 3.612 0.246 9.663 467 HB3 LYS 57 1HB LYS 57 2.924 1.330 8.461 468 HG2 LYS 57 2HG LYS 57 1.162 0.013 8.242 469 HG3 LYS 57 1HG LYS 57 2.199 -1.341 7.794 470 HD2 LYS 57 2HD LYS 57 2.566 -1.797 10.203 471 HD3 LYS 57 1HD LYS 57 1.420 -0.511 10.587 472 HE2 LYS 57 2HE LYS 57 -0.205 -1.820 9.066 473 HE3 LYS 57 1HE LYS 57 0.918 -3.162 9.282 474 HZ1 LYS 57 3HZ LYS 57 -0.653 -3.435 10.957 475 HZ2 LYS 57 1HZ LYS 57 -0.714 -1.784 11.323 476 HZ3 LYS 57 2HZ LYS 57 0.643 -2.696 11.757 477 H GLY 58 H GLY 58 3.110 0.784 5.631 478 HA2 GLY 58 2HA GLY 58 4.293 3.376 5.460 479 HA3 GLY 58 1HA GLY 58 5.002 2.275 4.291 480 H ILE 59 H ILE 59 4.026 4.094 2.929 481 HA ILE 59 HA ILE 59 1.286 3.310 2.176 482 HB ILE 59 HB ILE 59 1.155 5.728 1.254 483 HG12 ILE 59 2HG1 ILE 59 3.355 5.998 3.320 484 HG13 ILE 59 1HG1 ILE 59 3.480 6.355 1.602 485 HG21 ILE 59 1HG2 ILE 59 -0.347 5.145 2.930 486 HG22 ILE 59 2HG2 ILE 59 0.498 6.536 3.608 487 HG23 ILE 59 3HG2 ILE 59 0.928 4.905 4.126 488 HD11 ILE 59 3HD1 ILE 59 1.447 7.982 2.285 489 HD12 ILE 59 1HD1 ILE 59 3.145 8.459 2.293 490 HD13 ILE 59 2HD1 ILE 59 2.364 7.956 3.791 491 H PHE 60 H PHE 60 0.763 3.496 -0.073 492 HA PHE 60 HA PHE 60 2.895 3.964 -1.969 493 HB2 PHE 60 2HB PHE 60 2.663 1.713 -3.017 494 HB3 PHE 60 1HB PHE 60 3.375 1.664 -1.407 495 HD1 PHE 60 2HD PHE 60 0.030 1.428 -3.046 496 HD2 PHE 60 1HD PHE 60 2.600 0.089 0.071 497 HE1 PHE 60 2HE PHE 60 -1.674 -0.197 -2.343 498 HE2 PHE 60 1HE PHE 60 0.899 -1.543 0.775 499 HZ PHE 60 HZ PHE 60 -1.242 -1.685 -0.437 500 HA PRO 61 HA PRO 61 -0.627 5.114 -4.380 501 HB2 PRO 61 2HB PRO 61 0.479 5.302 -6.819 502 HB3 PRO 61 1HB PRO 61 0.885 6.435 -5.522 503 HG2 PRO 61 2HG PRO 61 2.409 4.060 -6.513 504 HG3 PRO 61 1HG PRO 61 3.010 5.661 -6.047 505 HD2 PRO 61 2HD PRO 61 3.104 3.449 -4.422 506 HD3 PRO 61 1HD PRO 61 3.074 5.119 -3.825 507 H ALA 62 H ALA 62 -2.248 4.194 -5.526 508 HA ALA 62 HA ALA 62 -2.247 1.388 -5.933 509 HB1 ALA 62 1HB ALA 62 -4.310 3.042 -7.264 510 HB2 ALA 62 2HB ALA 62 -4.187 3.158 -5.510 511 HB3 ALA 62 3HB ALA 62 -4.479 1.596 -6.270 512 H SER 63 H SER 63 -1.014 3.863 -7.851 513 HA SER 63 HA SER 63 -1.680 3.279 -10.439 514 HB2 SER 63 2HB SER 63 1.106 3.974 -9.487 515 HB3 SER 63 1HB SER 63 0.441 4.253 -11.096 516 HG SER 63 HG SER 63 0.444 6.025 -9.384 517 H TYR 64 H TYR 64 0.248 1.319 -8.297 518 HA TYR 64 HA TYR 64 0.553 -0.614 -10.483 519 HB2 TYR 64 2HB TYR 64 2.821 -1.192 -9.664 520 HB3 TYR 64 1HB TYR 64 2.713 0.449 -10.291 521 HD1 TYR 64 1HD TYR 64 2.869 -1.552 -7.178 522 HD2 TYR 64 2HD TYR 64 3.224 2.311 -8.925 523 HE1 TYR 64 1HE TYR 64 3.811 -0.697 -5.076 524 HE2 TYR 64 2HE TYR 64 4.169 3.176 -6.827 525 HH TYR 64 HH TYR 64 5.387 2.252 -4.834 526 H ILE 65 H ILE 65 -1.300 -0.405 -8.175 527 HA ILE 65 HA ILE 65 -0.493 -2.796 -6.664 528 HB ILE 65 HB ILE 65 -2.718 -0.866 -5.996 529 HG12 ILE 65 2HG1 ILE 65 -0.594 0.292 -5.843 530 HG13 ILE 65 1HG1 ILE 65 -1.178 -0.060 -4.218 531 HG21 ILE 65 1HG2 ILE 65 -2.879 -3.226 -5.141 532 HG22 ILE 65 2HG2 ILE 65 -2.849 -1.975 -3.897 533 HG23 ILE 65 3HG2 ILE 65 -1.398 -2.920 -4.233 534 HD11 ILE 65 3HD1 ILE 65 0.876 -1.696 -5.681 535 HD12 ILE 65 1HD1 ILE 65 0.369 -1.878 -4.002 536 HD13 ILE 65 2HD1 ILE 65 1.243 -0.431 -4.507 537 H HIS 66 H HIS 66 -1.644 -4.643 -6.754 538 HA HIS 66 HA HIS 66 -4.213 -4.638 -8.171 539 HB2 HIS 66 2HB HIS 66 -2.496 -5.288 -9.800 540 HB3 HIS 66 1HB HIS 66 -1.937 -6.557 -8.715 541 HD1 HIS 66 1HD HIS 66 -4.945 -5.629 -10.809 542 HD2 HIS 66 2HD HIS 66 -3.282 -8.936 -8.924 543 HE1 HIS 66 1HE HIS 66 -6.316 -7.596 -11.569 544 HE2 HIS 66 2HE HIS 66 -5.239 -9.595 -10.480 545 H LEU 67 H LEU 67 -5.711 -5.568 -6.955 546 HA LEU 67 HA LEU 67 -5.065 -6.994 -4.578 547 HB2 LEU 67 2HB LEU 67 -7.613 -6.364 -6.024 548 HB3 LEU 67 1HB LEU 67 -7.618 -7.473 -4.667 549 HG LEU 67 HG LEU 67 -8.242 -5.262 -3.917 550 HD11 LEU 67 1HD1 LEU 67 -5.423 -5.739 -2.990 551 HD12 LEU 67 2HD1 LEU 67 -6.776 -6.759 -2.504 552 HD13 LEU 67 3HD1 LEU 67 -6.769 -5.046 -2.087 553 HD21 LEU 67 3HD2 LEU 67 -5.569 -4.123 -4.527 554 HD22 LEU 67 1HD2 LEU 67 -7.140 -3.329 -4.398 555 HD23 LEU 67 2HD2 LEU 67 -6.732 -4.249 -5.848 556 H LYS 68 H LYS 68 -4.816 -9.110 -4.239 557 HA LYS 68 HA LYS 68 -5.139 -10.915 -6.516 558 HB2 LYS 68 2HB LYS 68 -3.495 -10.908 -4.042 559 HB3 LYS 68 1HB LYS 68 -3.992 -12.477 -4.662 560 HG2 LYS 68 2HG LYS 68 -3.026 -11.810 -6.872 561 HG3 LYS 68 1HG LYS 68 -2.369 -10.379 -6.077 562 HD2 LYS 68 2HD LYS 68 -0.855 -11.594 -4.842 563 HD3 LYS 68 1HD LYS 68 -1.835 -13.061 -4.891 564 HE2 LYS 68 2HE LYS 68 -1.309 -13.253 -7.316 565 HE3 LYS 68 1HE LYS 68 -0.215 -11.882 -7.142 566 HZ1 LYS 68 3HZ LYS 68 0.114 -14.637 -6.286 567 HZ2 LYS 68 1HZ LYS 68 0.670 -13.463 -5.201 568 HZ3 LYS 68 2HZ LYS 68 1.274 -13.510 -6.780 569 H GLU 69 H GLU 69 -5.589 -13.316 -5.524 570 HA GLU 69 HA GLU 69 -8.257 -13.071 -4.336 571 HB2 GLU 69 2HB GLU 69 -7.523 -14.414 -6.545 572 HB3 GLU 69 1HB GLU 69 -7.288 -15.684 -5.353 573 HG2 GLU 69 2HG GLU 69 -9.461 -16.075 -5.247 574 HG3 GLU 69 1HG GLU 69 -9.804 -14.378 -4.915 575 H ALA 70 H ALA 70 -5.721 -12.934 -2.806 576 HA ALA 70 HA ALA 70 -4.920 -13.635 -0.796 577 HB1 ALA 70 1HB ALA 70 -6.895 -13.570 0.326 578 HB2 ALA 70 2HB ALA 70 -6.599 -15.306 0.418 579 HB3 ALA 70 3HB ALA 70 -7.701 -14.662 -0.800 580 H ILE 71 H ILE 71 -3.517 -15.175 -0.105 581 HA ILE 71 HA ILE 71 -3.678 -17.838 -1.345 582 HB ILE 71 HB ILE 71 -1.142 -17.789 -1.449 583 HG12 ILE 71 2HG1 ILE 71 -1.333 -14.818 -1.641 584 HG13 ILE 71 1HG1 ILE 71 -1.259 -15.537 -0.035 585 HG21 ILE 71 1HG2 ILE 71 -1.238 -17.226 -3.645 586 HG22 ILE 71 2HG2 ILE 71 -2.140 -15.740 -3.341 587 HG23 ILE 71 3HG2 ILE 71 -2.970 -17.296 -3.318 588 HD11 ILE 71 3HD1 ILE 71 0.865 -14.949 -1.758 589 HD12 ILE 71 1HD1 ILE 71 0.743 -16.707 -1.707 590 HD13 ILE 71 2HD1 ILE 71 0.927 -15.793 -0.211 591 H VAL 72 H VAL 72 -4.517 -18.598 0.650 592 HA VAL 72 HA VAL 72 -2.506 -18.752 2.802 593 HB VAL 72 HB VAL 72 -4.391 -19.008 4.396 594 HG11 VAL 72 1HG1 VAL 72 -3.561 -16.869 4.470 595 HG12 VAL 72 2HG1 VAL 72 -5.240 -16.555 4.031 596 HG13 VAL 72 3HG1 VAL 72 -3.985 -16.529 2.792 597 HG21 VAL 72 3HG2 VAL 72 -6.147 -19.814 3.025 598 HG22 VAL 72 1HG2 VAL 72 -6.032 -18.426 1.942 599 HG23 VAL 72 2HG2 VAL 72 -6.645 -18.216 3.583 600 H GLU 73 H GLU 73 -3.322 -20.671 4.370 601 HA GLU 73 HA GLU 73 -3.509 -22.915 4.677 602 HB2 GLU 73 2HB GLU 73 -4.793 -23.117 1.960 603 HB3 GLU 73 1HB GLU 73 -5.024 -24.164 3.354 604 HG2 GLU 73 2HG GLU 73 -5.785 -21.659 4.256 605 HG3 GLU 73 1HG GLU 73 -6.407 -21.739 2.609 606 H GLY 74 H GLY 74 -1.355 -23.432 4.631 607 HA2 GLY 74 2HA GLY 74 -0.470 -25.058 2.455 608 HA3 GLY 74 1HA GLY 74 0.361 -23.511 2.477 Start of MODEL 7 1 H1 MET 1 1HT MET 1 -4.618 9.644 14.357 2 H2 MET 1 2HT MET 1 -4.435 9.273 12.692 3 H3 MET 1 3HT MET 1 -5.748 10.243 13.218 4 HA MET 1 HA MET 1 -4.034 11.821 14.079 5 HB2 MET 1 2HB MET 1 -1.849 11.666 13.008 6 HB3 MET 1 1HB MET 1 -2.181 10.203 13.926 7 HG2 MET 1 2HG MET 1 -2.507 8.927 12.009 8 HG3 MET 1 1HG MET 1 -2.759 10.346 10.995 9 HE1 MET 1 2HE MET 1 -0.760 7.817 12.423 10 HE2 MET 1 3HE MET 1 0.949 8.230 12.284 11 HE3 MET 1 1HE MET 1 0.063 7.653 10.873 12 H THR 2 H THR 2 -4.990 10.315 11.078 13 HA THR 2 HA THR 2 -5.558 12.966 9.976 14 HB THR 2 HB THR 2 -3.414 12.347 9.004 15 HG1 THR 2 1HG THR 2 -5.481 11.937 7.110 16 HG21 THR 2 3HG2 THR 2 -4.750 9.894 7.893 17 HG22 THR 2 1HG2 THR 2 -3.615 9.893 9.243 18 HG23 THR 2 2HG2 THR 2 -3.083 10.411 7.643 19 H ARG 3 H ARG 3 -7.346 13.060 8.650 20 HA ARG 3 HA ARG 3 -9.272 10.989 8.967 21 HB2 ARG 3 2HB ARG 3 -9.189 13.637 7.599 22 HB3 ARG 3 1HB ARG 3 -10.463 12.511 7.150 23 HG2 ARG 3 2HG ARG 3 -11.479 12.626 9.200 24 HG3 ARG 3 1HG ARG 3 -9.990 13.069 10.035 25 HD2 ARG 3 2HD ARG 3 -10.078 15.286 8.994 26 HD3 ARG 3 1HD ARG 3 -11.573 14.839 8.174 27 HE ARG 3 HE ARG 3 -12.708 15.250 10.112 28 HH11 ARG 3 1HH1 ARG 3 -9.321 14.878 10.867 29 HH12 ARG 3 2HH1 ARG 3 -9.513 15.335 12.527 30 HH21 ARG 3 1HH2 ARG 3 -12.962 15.851 12.294 31 HH22 ARG 3 2HH2 ARG 3 -11.580 15.888 13.338 32 H TRP 4 H TRP 4 -9.125 9.121 7.909 33 HA TRP 4 HA TRP 4 -8.757 9.196 5.005 34 HB2 TRP 4 2HB TRP 4 -6.821 8.207 6.852 35 HB3 TRP 4 1HB TRP 4 -7.479 6.836 5.966 36 HD1 TRP 4 HD TRP 4 -7.218 10.149 4.142 37 HE1 TRP 4 1HE TRP 4 -5.378 9.985 2.350 38 HE3 TRP 4 3HE TRP 4 -5.239 5.664 5.466 39 HZ2 TRP 4 2HZ TRP 4 -3.344 8.166 1.603 40 HZ3 TRP 4 3HZ TRP 4 -3.345 4.763 4.172 41 HH2 TRP 4 HH TRP 4 -2.418 5.994 2.276 42 H VAL 5 H VAL 5 -8.914 6.594 4.370 43 HA VAL 5 HA VAL 5 -11.547 5.806 5.429 44 HB VAL 5 HB VAL 5 -10.365 4.963 2.784 45 HG11 VAL 5 1HG1 VAL 5 -12.135 3.532 3.662 46 HG12 VAL 5 2HG1 VAL 5 -12.671 4.401 2.224 47 HG13 VAL 5 3HG1 VAL 5 -13.195 4.932 3.822 48 HG21 VAL 5 3HG2 VAL 5 -10.878 6.923 1.868 49 HG22 VAL 5 1HG2 VAL 5 -11.213 7.550 3.482 50 HG23 VAL 5 2HG2 VAL 5 -12.514 6.849 2.518 51 HA PRO 6 HA PRO 6 -9.542 2.098 6.859 52 HB2 PRO 6 2HB PRO 6 -11.679 0.772 7.756 53 HB3 PRO 6 1HB PRO 6 -11.129 2.257 8.538 54 HG2 PRO 6 2HG PRO 6 -13.397 1.843 6.639 55 HG3 PRO 6 1HG PRO 6 -13.316 2.869 8.082 56 HD2 PRO 6 2HD PRO 6 -12.992 3.754 5.475 57 HD3 PRO 6 1HD PRO 6 -12.422 4.611 6.918 58 H THR 7 H THR 7 -10.271 2.270 3.962 59 HA THR 7 HA THR 7 -10.699 0.959 2.144 60 HB THR 7 HB THR 7 -8.506 0.212 2.497 61 HG1 THR 7 1HG THR 7 -8.896 -1.444 1.302 62 HG21 THR 7 3HG2 THR 7 -7.866 -1.524 4.090 63 HG22 THR 7 1HG2 THR 7 -9.511 -1.541 4.725 64 HG23 THR 7 2HG2 THR 7 -8.514 -0.096 4.894 65 H LYS 8 H LYS 8 -12.839 0.576 1.953 66 HA LYS 8 HA LYS 8 -13.968 -1.724 3.387 67 HB2 LYS 8 2HB LYS 8 -15.122 0.772 2.236 68 HB3 LYS 8 1HB LYS 8 -16.137 -0.661 2.279 69 HG2 LYS 8 2HG LYS 8 -16.077 -0.773 4.618 70 HG3 LYS 8 1HG LYS 8 -14.710 0.338 4.718 71 HD2 LYS 8 2HD LYS 8 -16.163 2.136 3.826 72 HD3 LYS 8 1HD LYS 8 -17.524 1.013 3.863 73 HE2 LYS 8 2HE LYS 8 -17.870 1.892 5.906 74 HE3 LYS 8 1HE LYS 8 -16.609 0.759 6.390 75 HZ1 LYS 8 3HZ LYS 8 -16.580 3.591 6.449 76 HZ2 LYS 8 1HZ LYS 8 -15.303 3.023 5.494 77 HZ3 LYS 8 2HZ LYS 8 -15.460 2.501 7.095 78 H ARG 9 H ARG 9 -15.154 -3.318 2.261 79 HA ARG 9 HA ARG 9 -15.555 -4.789 0.574 80 HB2 ARG 9 2HB ARG 9 -16.183 -2.277 -0.454 81 HB3 ARG 9 1HB ARG 9 -15.168 -3.006 -1.691 82 HG2 ARG 9 2HG ARG 9 -17.400 -4.598 -0.531 83 HG3 ARG 9 1HG ARG 9 -17.759 -3.338 -1.713 84 HD2 ARG 9 2HD ARG 9 -15.538 -5.126 -2.427 85 HD3 ARG 9 1HD ARG 9 -17.119 -5.901 -2.338 86 HE ARG 9 HE ARG 9 -16.208 -4.074 -4.338 87 HH11 ARG 9 1HH1 ARG 9 -19.040 -5.214 -2.647 88 HH12 ARG 9 2HH1 ARG 9 -20.127 -4.797 -3.929 89 HH21 ARG 9 1HH2 ARG 9 -17.637 -3.523 -6.024 90 HH22 ARG 9 2HH2 ARG 9 -19.330 -3.836 -5.847 91 H GLU 10 H GLU 10 -13.608 -5.908 0.968 92 HA GLU 10 HA GLU 10 -11.820 -5.947 -1.284 93 HB2 GLU 10 2HB GLU 10 -11.060 -4.185 0.595 94 HB3 GLU 10 1HB GLU 10 -10.351 -5.643 1.276 95 HG2 GLU 10 2HG GLU 10 -8.825 -5.853 -0.390 96 HG3 GLU 10 1HG GLU 10 -9.875 -5.110 -1.596 97 H GLU 11 H GLU 11 -9.961 -7.598 -0.767 98 HA GLU 11 HA GLU 11 -11.286 -9.946 0.368 99 HB2 GLU 11 2HB GLU 11 -10.011 -9.678 -1.988 100 HB3 GLU 11 1HB GLU 11 -8.665 -10.212 -0.990 101 HG2 GLU 11 2HG GLU 11 -9.614 -12.273 -0.575 102 HG3 GLU 11 1HG GLU 11 -11.246 -11.707 -0.930 103 H LYS 12 H LYS 12 -7.891 -8.857 0.238 104 HA LYS 12 HA LYS 12 -7.600 -8.810 3.069 105 HB2 LYS 12 2HB LYS 12 -7.539 -11.352 2.064 106 HB3 LYS 12 1HB LYS 12 -5.834 -10.921 2.032 107 HG2 LYS 12 2HG LYS 12 -5.656 -10.882 4.287 108 HG3 LYS 12 1HG LYS 12 -7.312 -10.317 4.519 109 HD2 LYS 12 2HD LYS 12 -8.174 -12.527 4.062 110 HD3 LYS 12 1HD LYS 12 -6.555 -13.113 3.672 111 HE2 LYS 12 2HE LYS 12 -5.834 -12.835 5.932 112 HE3 LYS 12 1HE LYS 12 -7.321 -11.989 6.360 113 HZ1 LYS 12 3HZ LYS 12 -6.979 -14.532 6.872 114 HZ2 LYS 12 1HZ LYS 12 -7.559 -14.700 5.290 115 HZ3 LYS 12 2HZ LYS 12 -8.498 -13.914 6.458 116 H TYR 13 H TYR 13 -5.426 -9.813 0.426 117 HA TYR 13 HA TYR 13 -4.036 -7.254 0.612 118 HB2 TYR 13 2HB TYR 13 -1.825 -8.579 0.618 119 HB3 TYR 13 1HB TYR 13 -2.700 -8.430 2.139 120 HD1 TYR 13 1HD TYR 13 -2.084 -10.730 -0.710 121 HD2 TYR 13 2HD TYR 13 -3.376 -10.342 3.324 122 HE1 TYR 13 1HE TYR 13 -2.088 -13.178 -0.483 123 HE2 TYR 13 2HE TYR 13 -3.385 -12.788 3.563 124 HH TYR 13 HH TYR 13 -1.948 -14.781 2.150 125 H GLY 14 H GLY 14 -2.047 -7.425 -1.046 126 HA2 GLY 14 2HA GLY 14 -2.767 -8.965 -3.410 127 HA3 GLY 14 1HA GLY 14 -2.888 -7.219 -3.562 128 H VAL 15 H VAL 15 -1.294 -7.255 -5.194 129 HA VAL 15 HA VAL 15 1.441 -7.646 -4.164 130 HB VAL 15 HB VAL 15 0.563 -8.021 -7.030 131 HG11 VAL 15 1HG1 VAL 15 2.877 -9.178 -7.065 132 HG12 VAL 15 2HG1 VAL 15 3.189 -8.226 -5.613 133 HG13 VAL 15 3HG1 VAL 15 2.799 -7.418 -7.131 134 HG21 VAL 15 3HG2 VAL 15 0.258 -10.223 -6.689 135 HG22 VAL 15 1HG2 VAL 15 -0.011 -9.738 -5.015 136 HG23 VAL 15 2HG2 VAL 15 1.572 -10.328 -5.517 137 H ALA 16 H ALA 16 3.061 -6.224 -5.011 138 HA ALA 16 HA ALA 16 2.003 -3.752 -6.213 139 HB1 ALA 16 1HB ALA 16 2.683 -3.863 -3.617 140 HB2 ALA 16 2HB ALA 16 2.862 -2.415 -4.608 141 HB3 ALA 16 3HB ALA 16 4.250 -3.465 -4.322 142 H PHE 17 H PHE 17 2.856 -3.798 -8.222 143 HA PHE 17 HA PHE 17 5.623 -4.674 -8.575 144 HB2 PHE 17 2HB PHE 17 5.000 -4.265 -11.065 145 HB3 PHE 17 1HB PHE 17 4.314 -5.657 -10.235 146 HD1 PHE 17 2HD PHE 17 3.629 -2.375 -11.684 147 HD2 PHE 17 1HD PHE 17 1.962 -5.739 -9.683 148 HE1 PHE 17 2HE PHE 17 1.370 -1.605 -12.281 149 HE2 PHE 17 1HE PHE 17 -0.300 -4.977 -10.278 150 HZ PHE 17 HZ PHE 17 -0.599 -2.906 -11.578 151 H TYR 18 H TYR 18 6.808 -2.970 -7.759 152 HA TYR 18 HA TYR 18 7.159 -0.756 -9.540 153 HB2 TYR 18 2HB TYR 18 5.196 -0.138 -7.980 154 HB3 TYR 18 1HB TYR 18 6.424 0.012 -6.726 155 HD1 TYR 18 1HD TYR 18 5.210 1.387 -9.924 156 HD2 TYR 18 2HD TYR 18 7.939 1.859 -6.694 157 HE1 TYR 18 1HE TYR 18 5.733 3.667 -10.694 158 HE2 TYR 18 2HE TYR 18 8.456 4.139 -7.448 159 HH TYR 18 HH TYR 18 8.335 5.368 -9.801 160 H ASN 19 H ASN 19 8.938 0.689 -8.817 161 HA ASN 19 HA ASN 19 10.875 -0.814 -7.184 162 HB2 ASN 19 2HB ASN 19 11.205 0.918 -9.616 163 HB3 ASN 19 1HB ASN 19 12.549 0.696 -8.500 164 HD21 ASN 19 1HD2 ASN 19 10.575 -0.743 -10.924 165 HD22 ASN 19 2HD2 ASN 19 11.459 -2.220 -11.074 166 H TYR 20 H TYR 20 9.282 0.531 -5.637 167 HA TYR 20 HA TYR 20 10.092 3.271 -5.254 168 HB2 TYR 20 2HB TYR 20 7.775 2.145 -4.770 169 HB3 TYR 20 1HB TYR 20 8.517 1.718 -3.233 170 HD1 TYR 20 1HD TYR 20 9.628 3.698 -1.929 171 HD2 TYR 20 2HD TYR 20 6.695 4.185 -4.974 172 HE1 TYR 20 1HE TYR 20 9.080 5.922 -1.035 173 HE2 TYR 20 2HE TYR 20 6.138 6.412 -4.087 174 HH TYR 20 HH TYR 20 6.313 7.639 -1.950 175 H ASP 21 H ASP 21 11.234 4.113 -3.525 176 HA ASP 21 HA ASP 21 12.624 2.197 -1.785 177 HB2 ASP 21 2HB ASP 21 14.113 2.886 -3.663 178 HB3 ASP 21 1HB ASP 21 13.950 4.558 -3.134 179 H ALA 22 H ALA 22 11.531 2.693 0.051 180 HA ALA 22 HA ALA 22 10.612 5.180 0.866 181 HB1 ALA 22 1HB ALA 22 9.703 3.652 2.237 182 HB2 ALA 22 2HB ALA 22 11.111 3.978 3.246 183 HB3 ALA 22 3HB ALA 22 11.110 2.590 2.157 184 H ARG 23 H ARG 23 11.618 6.983 1.424 185 HA ARG 23 HA ARG 23 14.450 6.863 2.170 186 HB2 ARG 23 2HB ARG 23 12.867 9.347 1.536 187 HB3 ARG 23 1HB ARG 23 14.613 9.143 1.524 188 HG2 ARG 23 2HG ARG 23 14.363 8.937 -0.686 189 HG3 ARG 23 1HG ARG 23 13.844 7.293 -0.314 190 HD2 ARG 23 2HD ARG 23 12.269 8.387 -1.818 191 HD3 ARG 23 1HD ARG 23 11.518 8.033 -0.263 192 HE ARG 23 HE ARG 23 12.388 10.579 0.033 193 HH11 ARG 23 1HH1 ARG 23 10.434 8.985 -2.382 194 HH12 ARG 23 2HH1 ARG 23 9.518 10.406 -2.757 195 HH21 ARG 23 1HH2 ARG 23 11.184 12.447 -0.462 196 HH22 ARG 23 2HH2 ARG 23 9.946 12.372 -1.672 197 H GLY 24 H GLY 24 12.214 6.201 3.991 198 HA2 GLY 24 2HA GLY 24 13.123 7.166 6.373 199 HA3 GLY 24 1HA GLY 24 11.968 8.382 5.846 200 H ALA 25 H ALA 25 11.482 7.112 8.177 201 HA ALA 25 HA ALA 25 9.991 4.738 8.023 202 HB1 ALA 25 1HB ALA 25 10.625 5.219 10.174 203 HB2 ALA 25 2HB ALA 25 8.942 5.747 10.205 204 HB3 ALA 25 3HB ALA 25 10.234 6.932 10.022 205 H ASP 26 H ASP 26 9.157 8.043 7.346 206 HA ASP 26 HA ASP 26 6.378 7.934 7.604 207 HB2 ASP 26 2HB ASP 26 7.928 9.953 7.128 208 HB3 ASP 26 1HB ASP 26 7.731 9.515 5.434 209 H GLU 27 H GLU 27 8.493 6.754 5.092 210 HA GLU 27 HA GLU 27 6.128 5.776 3.627 211 HB2 GLU 27 2HB GLU 27 8.611 7.083 2.667 212 HB3 GLU 27 1HB GLU 27 8.016 5.736 1.707 213 HG2 GLU 27 2HG GLU 27 7.151 7.788 0.822 214 HG3 GLU 27 1HG GLU 27 5.831 6.860 1.533 215 H LEU 28 H LEU 28 6.714 3.844 2.200 216 HA LEU 28 HA LEU 28 8.634 2.086 3.568 217 HB2 LEU 28 2HB LEU 28 6.398 1.523 4.348 218 HB3 LEU 28 1HB LEU 28 5.836 1.369 2.695 219 HG LEU 28 HG LEU 28 8.107 -0.360 3.471 220 HD11 LEU 28 1HD1 LEU 28 7.065 -0.967 5.382 221 HD12 LEU 28 2HD1 LEU 28 6.118 -1.959 4.273 222 HD13 LEU 28 3HD1 LEU 28 5.486 -0.409 4.829 223 HD21 LEU 28 3HD2 LEU 28 5.574 -1.167 2.101 224 HD22 LEU 28 1HD2 LEU 28 7.203 -1.816 1.911 225 HD23 LEU 28 2HD2 LEU 28 6.799 -0.236 1.240 226 H SER 29 H SER 29 9.924 0.932 2.263 227 HA SER 29 HA SER 29 10.028 1.519 -0.503 228 HB2 SER 29 2HB SER 29 11.436 -0.626 1.104 229 HB3 SER 29 1HB SER 29 11.823 -0.208 -0.565 230 HG SER 29 HG SER 29 13.154 0.854 1.018 231 H LEU 30 H LEU 30 9.509 0.310 -2.291 232 HA LEU 30 HA LEU 30 8.024 -2.187 -1.831 233 HB2 LEU 30 2HB LEU 30 7.122 0.296 -3.145 234 HB3 LEU 30 1HB LEU 30 6.756 -1.185 -4.010 235 HG LEU 30 HG LEU 30 5.930 -0.552 -1.175 236 HD11 LEU 30 1HD1 LEU 30 4.340 -0.682 -3.732 237 HD12 LEU 30 2HD1 LEU 30 4.703 0.767 -2.794 238 HD13 LEU 30 3HD1 LEU 30 3.664 -0.486 -2.115 239 HD21 LEU 30 3HD2 LEU 30 4.579 -2.752 -2.487 240 HD22 LEU 30 1HD2 LEU 30 5.354 -2.686 -0.904 241 HD23 LEU 30 2HD2 LEU 30 6.313 -3.042 -2.341 242 H GLN 31 H GLN 31 8.433 -3.810 -3.239 243 HA GLN 31 HA GLN 31 10.170 -3.206 -5.539 244 HB2 GLN 31 2HB GLN 31 10.319 -5.685 -3.819 245 HB3 GLN 31 1HB GLN 31 11.378 -5.271 -5.159 246 HG2 GLN 31 2HG GLN 31 11.438 -3.125 -3.311 247 HG3 GLN 31 1HG GLN 31 11.648 -4.626 -2.412 248 HE21 GLN 31 1HE2 GLN 31 13.773 -4.462 -1.944 249 HE22 GLN 31 2HE2 GLN 31 15.030 -4.434 -3.129 250 H ILE 32 H ILE 32 9.987 -4.644 -7.347 251 HA ILE 32 HA ILE 32 7.297 -5.383 -7.906 252 HB ILE 32 HB ILE 32 9.763 -6.110 -9.487 253 HG12 ILE 32 2HG1 ILE 32 7.982 -3.682 -9.772 254 HG13 ILE 32 1HG1 ILE 32 9.582 -3.668 -9.039 255 HG21 ILE 32 1HG2 ILE 32 7.798 -5.760 -11.296 256 HG22 ILE 32 2HG2 ILE 32 6.861 -6.365 -9.930 257 HG23 ILE 32 3HG2 ILE 32 8.198 -7.319 -10.574 258 HD11 ILE 32 3HD1 ILE 32 10.643 -4.051 -11.072 259 HD12 ILE 32 1HD1 ILE 32 9.353 -2.918 -11.468 260 HD13 ILE 32 2HD1 ILE 32 9.165 -4.631 -11.840 261 H GLY 33 H GLY 33 6.283 -7.252 -7.589 262 HA2 GLY 33 2HA GLY 33 6.150 -9.631 -7.659 263 HA3 GLY 33 1HA GLY 33 7.869 -9.708 -7.308 264 H ASP 34 H ASP 34 6.989 -7.449 -5.234 265 HA ASP 34 HA ASP 34 6.780 -9.323 -3.037 266 HB2 ASP 34 2HB ASP 34 7.166 -6.343 -3.224 267 HB3 ASP 34 1HB ASP 34 6.830 -7.129 -1.685 268 H THR 35 H THR 35 5.104 -9.427 -1.550 269 HA THR 35 HA THR 35 2.517 -8.563 -2.581 270 HB THR 35 HB THR 35 3.010 -10.248 -0.129 271 HG1 THR 35 1HG THR 35 2.965 -11.010 -2.849 272 HG21 THR 35 3HG2 THR 35 0.851 -11.135 -0.486 273 HG22 THR 35 1HG2 THR 35 0.712 -10.351 -2.059 274 HG23 THR 35 2HG2 THR 35 0.702 -9.381 -0.586 275 H VAL 36 H VAL 36 1.019 -7.365 -1.349 276 HA VAL 36 HA VAL 36 2.040 -6.086 1.083 277 HB VAL 36 HB VAL 36 1.041 -3.895 0.201 278 HG11 VAL 36 1HG1 VAL 36 3.405 -4.151 0.557 279 HG12 VAL 36 2HG1 VAL 36 3.149 -3.318 -0.976 280 HG13 VAL 36 3HG1 VAL 36 3.581 -5.028 -0.963 281 HG21 VAL 36 3HG2 VAL 36 -0.126 -4.682 -1.728 282 HG22 VAL 36 1HG2 VAL 36 1.335 -5.427 -2.377 283 HG23 VAL 36 2HG2 VAL 36 1.207 -3.671 -2.287 284 H HIS 37 H HIS 37 0.535 -5.696 2.608 285 HA HIS 37 HA HIS 37 -2.216 -6.511 1.998 286 HB2 HIS 37 2HB HIS 37 -1.160 -7.723 3.834 287 HB3 HIS 37 1HB HIS 37 -0.787 -6.208 4.649 288 HD1 HIS 37 1HD HIS 37 -3.046 -4.765 5.305 289 HD2 HIS 37 2HD HIS 37 -3.486 -8.843 4.641 290 HE1 HIS 37 1HE HIS 37 -5.230 -5.391 6.384 291 HE2 HIS 37 2HE HIS 37 -5.509 -7.849 5.910 292 H ILE 38 H ILE 38 -3.570 -4.914 1.544 293 HA ILE 38 HA ILE 38 -3.009 -2.197 2.294 294 HB ILE 38 HB ILE 38 -5.687 -2.900 1.223 295 HG12 ILE 38 2HG1 ILE 38 -4.444 -4.404 -0.137 296 HG13 ILE 38 1HG1 ILE 38 -4.682 -2.959 -1.110 297 HG21 ILE 38 1HG2 ILE 38 -4.424 -0.579 1.652 298 HG22 ILE 38 2HG2 ILE 38 -5.655 -0.799 0.408 299 HG23 ILE 38 3HG2 ILE 38 -3.945 -0.872 -0.019 300 HD11 ILE 38 3HD1 ILE 38 -2.502 -2.698 -1.362 301 HD12 ILE 38 1HD1 ILE 38 -2.289 -4.268 -0.587 302 HD13 ILE 38 2HD1 ILE 38 -2.225 -2.793 0.378 303 H LEU 39 H LEU 39 -3.554 -1.263 4.130 304 HA LEU 39 HA LEU 39 -5.768 -2.403 5.700 305 HB2 LEU 39 2HB LEU 39 -4.706 -1.592 7.679 306 HB3 LEU 39 1HB LEU 39 -3.514 -2.477 6.746 307 HG LEU 39 HG LEU 39 -3.003 -0.002 5.841 308 HD11 LEU 39 1HD1 LEU 39 -3.023 1.467 7.914 309 HD12 LEU 39 2HD1 LEU 39 -4.201 0.332 8.573 310 HD13 LEU 39 3HD1 LEU 39 -4.565 1.222 7.095 311 HD21 LEU 39 3HD2 LEU 39 -1.858 -0.726 8.497 312 HD22 LEU 39 1HD2 LEU 39 -1.052 -0.126 7.047 313 HD23 LEU 39 2HD2 LEU 39 -1.598 -1.802 7.125 314 H GLU 40 H GLU 40 -4.682 0.359 4.000 315 HA GLU 40 HA GLU 40 -7.103 1.796 4.762 316 HB2 GLU 40 2HB GLU 40 -4.441 2.549 5.594 317 HB3 GLU 40 1HB GLU 40 -5.135 3.792 4.564 318 HG2 GLU 40 2HG GLU 40 -6.737 4.347 6.066 319 HG3 GLU 40 1HG GLU 40 -6.852 2.712 6.716 320 H THR 41 H THR 41 -7.676 3.493 3.238 321 HA THR 41 HA THR 41 -6.187 3.713 0.781 322 HB THR 41 HB THR 41 -7.461 1.582 0.501 323 HG1 THR 41 1HG THR 41 -7.929 2.050 -1.545 324 HG21 THR 41 3HG2 THR 41 -9.964 3.153 0.179 325 HG22 THR 41 1HG2 THR 41 -9.509 2.565 1.778 326 HG23 THR 41 2HG2 THR 41 -9.739 1.424 0.453 327 H TYR 42 H TYR 42 -7.746 4.932 -0.892 328 HA TYR 42 HA TYR 42 -9.770 6.612 0.044 329 HB2 TYR 42 2HB TYR 42 -7.584 7.434 1.292 330 HB3 TYR 42 1HB TYR 42 -7.288 8.254 -0.236 331 HD1 TYR 42 1HD TYR 42 -9.508 9.504 -1.162 332 HD2 TYR 42 2HD TYR 42 -8.643 8.666 2.918 333 HE1 TYR 42 1HE TYR 42 -11.008 11.328 -0.475 334 HE2 TYR 42 2HE TYR 42 -10.140 10.488 3.617 335 HH TYR 42 HH TYR 42 -11.319 12.822 1.477 336 H GLU 43 H GLU 43 -6.854 7.266 -1.905 337 HA GLU 43 HA GLU 43 -7.992 6.779 -4.406 338 HB2 GLU 43 2HB GLU 43 -8.375 9.080 -5.213 339 HB3 GLU 43 1HB GLU 43 -9.489 8.635 -3.928 340 HG2 GLU 43 2HG GLU 43 -8.896 10.442 -2.809 341 HG3 GLU 43 1HG GLU 43 -7.251 9.820 -2.695 342 H GLY 44 H GLY 44 -6.054 6.050 -5.101 343 HA2 GLY 44 2HA GLY 44 -3.893 6.112 -5.883 344 HA3 GLY 44 1HA GLY 44 -4.105 7.851 -6.029 345 H TRP 45 H TRP 45 -4.410 6.117 -3.013 346 HA TRP 45 HA TRP 45 -1.767 6.502 -2.094 347 HB2 TRP 45 2HB TRP 45 -3.116 8.854 -2.156 348 HB3 TRP 45 1HB TRP 45 -3.550 8.285 -0.554 349 HD1 TRP 45 HD TRP 45 -2.199 10.480 0.305 350 HE1 TRP 45 1HE TRP 45 0.294 10.810 0.825 351 HE3 TRP 45 3HE TRP 45 -0.259 6.456 -2.231 352 HZ2 TRP 45 2HZ TRP 45 2.742 9.558 0.255 353 HZ3 TRP 45 3HZ TRP 45 2.170 6.111 -2.182 354 HH2 TRP 45 HH TRP 45 3.639 7.628 -0.966 355 H TYR 46 H TYR 46 -1.915 4.449 -1.264 356 HA TYR 46 HA TYR 46 -3.902 4.064 0.883 357 HB2 TYR 46 2HB TYR 46 -2.643 1.818 -0.679 358 HB3 TYR 46 1HB TYR 46 -4.074 1.766 0.340 359 HD1 TYR 46 1HD TYR 46 -5.298 4.368 -0.852 360 HD2 TYR 46 2HD TYR 46 -3.685 0.836 -2.592 361 HE1 TYR 46 1HE TYR 46 -6.720 4.700 -2.830 362 HE2 TYR 46 2HE TYR 46 -5.100 1.157 -4.573 363 HH TYR 46 HH TYR 46 -6.631 4.001 -5.301 364 H ARG 47 H ARG 47 -3.219 2.403 2.509 365 HA ARG 47 HA ARG 47 -0.319 2.483 3.001 366 HB2 ARG 47 2HB ARG 47 -1.490 4.158 4.412 367 HB3 ARG 47 1HB ARG 47 -2.471 2.868 5.091 368 HG2 ARG 47 2HG ARG 47 -0.937 2.608 6.662 369 HG3 ARG 47 1HG ARG 47 0.177 2.038 5.420 370 HD2 ARG 47 2HD ARG 47 1.325 3.983 5.368 371 HD3 ARG 47 1HD ARG 47 -0.119 4.962 5.626 372 HE ARG 47 HE ARG 47 0.452 3.589 7.995 373 HH11 ARG 47 1HH1 ARG 47 1.808 6.115 6.004 374 HH12 ARG 47 2HH1 ARG 47 2.587 6.914 7.330 375 HH21 ARG 47 1HH2 ARG 47 1.476 4.638 9.739 376 HH22 ARG 47 2HH2 ARG 47 2.398 6.076 9.450 377 H GLY 48 H GLY 48 0.557 0.670 4.030 378 HA2 GLY 48 2HA GLY 48 -0.996 -1.418 5.143 379 HA3 GLY 48 1HA GLY 48 -0.617 -1.794 3.468 380 H TYR 49 H TYR 49 0.478 -3.646 4.485 381 HA TYR 49 HA TYR 49 3.268 -2.951 5.043 382 HB2 TYR 49 2HB TYR 49 3.343 -4.680 6.841 383 HB3 TYR 49 1HB TYR 49 2.338 -3.292 7.241 384 HD1 TYR 49 2HD TYR 49 -0.188 -3.523 6.936 385 HD2 TYR 49 1HD TYR 49 2.464 -6.850 6.920 386 HE1 TYR 49 2HE TYR 49 -2.076 -5.025 7.418 387 HE2 TYR 49 1HE TYR 49 0.584 -8.360 7.402 388 HH TYR 49 HH TYR 49 -2.687 -7.341 7.213 389 H THR 50 H THR 50 4.686 -4.210 3.991 390 HA THR 50 HA THR 50 3.761 -6.104 2.089 391 HB THR 50 HB THR 50 6.409 -6.569 2.107 392 HG1 THR 50 1HG THR 50 7.451 -4.626 2.711 393 HG21 THR 50 3HG2 THR 50 5.340 -3.972 1.048 394 HG22 THR 50 1HG2 THR 50 5.072 -5.531 0.270 395 HG23 THR 50 2HG2 THR 50 6.711 -4.906 0.451 396 H LEU 51 H LEU 51 3.935 -8.322 2.043 397 HA LEU 51 HA LEU 51 3.649 -9.703 4.467 398 HB2 LEU 51 2HB LEU 51 3.989 -10.476 1.616 399 HB3 LEU 51 1HB LEU 51 4.249 -11.716 2.827 400 HG LEU 51 HG LEU 51 1.950 -11.711 1.910 401 HD11 LEU 51 1HD1 LEU 51 1.076 -12.386 3.875 402 HD12 LEU 51 2HD1 LEU 51 1.534 -10.903 4.714 403 HD13 LEU 51 3HD1 LEU 51 2.733 -12.167 4.441 404 HD21 LEU 51 3HD2 LEU 51 0.415 -9.920 2.554 405 HD22 LEU 51 1HD2 LEU 51 1.718 -9.314 1.531 406 HD23 LEU 51 2HD2 LEU 51 1.754 -9.026 3.269 407 H ARG 52 H ARG 52 6.453 -8.996 2.515 408 HA ARG 52 HA ARG 52 8.213 -10.899 3.637 409 HB2 ARG 52 2HB ARG 52 8.552 -8.348 2.113 410 HB3 ARG 52 1HB ARG 52 9.955 -9.078 2.880 411 HG2 ARG 52 2HG ARG 52 9.249 -11.225 1.662 412 HG3 ARG 52 1HG ARG 52 8.243 -10.161 0.679 413 HD2 ARG 52 2HD ARG 52 10.008 -9.662 -0.567 414 HD3 ARG 52 1HD ARG 52 10.803 -8.972 0.846 415 HE ARG 52 HE ARG 52 11.254 -11.596 -0.316 416 HH11 ARG 52 1HH1 ARG 52 11.804 -9.452 2.387 417 HH12 ARG 52 2HH1 ARG 52 13.182 -10.329 2.959 418 HH21 ARG 52 1HH2 ARG 52 13.065 -12.746 0.439 419 HH22 ARG 52 2HH2 ARG 52 13.898 -12.197 1.855 420 H LYS 53 H LYS 53 7.456 -7.549 4.499 421 HA LYS 53 HA LYS 53 8.724 -8.023 7.106 422 HB2 LYS 53 2HB LYS 53 9.416 -5.581 7.055 423 HB3 LYS 53 1HB LYS 53 10.318 -6.667 6.005 424 HG2 LYS 53 2HG LYS 53 8.126 -5.660 4.522 425 HG3 LYS 53 1HG LYS 53 8.903 -4.299 5.331 426 HD2 LYS 53 2HD LYS 53 11.058 -5.688 4.421 427 HD3 LYS 53 1HD LYS 53 9.874 -6.011 3.153 428 HE2 LYS 53 2HE LYS 53 9.610 -3.725 2.671 429 HE3 LYS 53 1HE LYS 53 10.399 -3.234 4.170 430 HZ1 LYS 53 3HZ LYS 53 12.490 -4.030 3.324 431 HZ2 LYS 53 1HZ LYS 53 11.819 -2.952 2.205 432 HZ3 LYS 53 2HZ LYS 53 11.756 -4.618 1.920 433 H LYS 54 H LYS 54 6.665 -8.408 7.981 434 HA LYS 54 HA LYS 54 4.446 -6.710 7.693 435 HB2 LYS 54 2HB LYS 54 5.226 -8.664 9.853 436 HB3 LYS 54 1HB LYS 54 3.702 -7.785 9.879 437 HG2 LYS 54 2HG LYS 54 3.018 -8.808 7.815 438 HG3 LYS 54 1HG LYS 54 4.590 -9.589 7.637 439 HD2 LYS 54 2HD LYS 54 3.461 -10.220 10.204 440 HD3 LYS 54 1HD LYS 54 2.303 -10.594 8.926 441 HE2 LYS 54 2HE LYS 54 3.428 -12.528 8.761 442 HE3 LYS 54 1HE LYS 54 4.609 -11.571 7.864 443 HZ1 LYS 54 3HZ LYS 54 4.700 -12.404 10.702 444 HZ2 LYS 54 1HZ LYS 54 5.662 -11.141 10.116 445 HZ3 LYS 54 2HZ LYS 54 5.833 -12.699 9.481 446 H SER 55 H SER 55 7.239 -6.566 9.782 447 HA SER 55 HA SER 55 6.268 -4.762 11.702 448 HB2 SER 55 2HB SER 55 8.948 -5.653 10.778 449 HB3 SER 55 1HB SER 55 8.882 -4.133 11.670 450 HG SER 55 HG SER 55 7.812 -5.257 13.349 451 H LYS 56 H LYS 56 7.771 -4.249 8.549 452 HA LYS 56 HA LYS 56 7.836 -1.391 8.828 453 HB2 LYS 56 2HB LYS 56 9.264 -3.045 7.307 454 HB3 LYS 56 1HB LYS 56 7.990 -2.687 6.150 455 HG2 LYS 56 2HG LYS 56 9.545 -1.081 5.638 456 HG3 LYS 56 1HG LYS 56 8.503 -0.210 6.765 457 HD2 LYS 56 2HD LYS 56 10.518 0.303 7.690 458 HD3 LYS 56 1HD LYS 56 10.227 -1.225 8.522 459 HE2 LYS 56 2HE LYS 56 12.250 -1.803 7.753 460 HE3 LYS 56 1HE LYS 56 11.425 -2.059 6.217 461 HZ1 LYS 56 3HZ LYS 56 13.449 -0.654 6.073 462 HZ2 LYS 56 1HZ LYS 56 12.663 0.518 7.009 463 HZ3 LYS 56 2HZ LYS 56 12.052 0.102 5.488 464 H LYS 57 H LYS 57 6.366 0.075 8.187 465 HA LYS 57 HA LYS 57 4.100 -0.804 6.548 466 HB2 LYS 57 2HB LYS 57 4.012 0.223 9.333 467 HB3 LYS 57 1HB LYS 57 2.789 0.831 8.225 468 HG2 LYS 57 2HG LYS 57 2.006 -1.395 7.781 469 HG3 LYS 57 1HG LYS 57 3.323 -2.089 8.731 470 HD2 LYS 57 2HD LYS 57 2.439 -1.004 10.741 471 HD3 LYS 57 1HD LYS 57 1.123 -0.312 9.788 472 HE2 LYS 57 2HE LYS 57 0.378 -2.596 9.221 473 HE3 LYS 57 1HE LYS 57 1.652 -3.246 10.250 474 HZ1 LYS 57 3HZ LYS 57 -0.301 -3.238 11.534 475 HZ2 LYS 57 1HZ LYS 57 -0.713 -1.664 11.072 476 HZ3 LYS 57 2HZ LYS 57 0.605 -1.926 12.098 477 H GLY 58 H GLY 58 3.373 0.696 5.113 478 HA2 GLY 58 2HA GLY 58 3.972 3.499 5.429 479 HA3 GLY 58 1HA GLY 58 4.920 2.721 4.176 480 H ILE 59 H ILE 59 3.882 4.210 2.714 481 HA ILE 59 HA ILE 59 1.211 3.266 1.908 482 HB ILE 59 HB ILE 59 0.940 5.660 0.967 483 HG12 ILE 59 2HG1 ILE 59 3.082 6.088 3.063 484 HG13 ILE 59 1HG1 ILE 59 3.197 6.459 1.345 485 HG21 ILE 59 1HG2 ILE 59 -0.378 6.176 2.764 486 HG22 ILE 59 2HG2 ILE 59 0.830 5.658 3.940 487 HG23 ILE 59 3HG2 ILE 59 -0.112 4.458 3.058 488 HD11 ILE 59 3HD1 ILE 59 2.773 8.530 2.175 489 HD12 ILE 59 1HD1 ILE 59 1.802 7.919 3.515 490 HD13 ILE 59 2HD1 ILE 59 1.121 7.982 1.889 491 H PHE 60 H PHE 60 0.723 3.838 -0.424 492 HA PHE 60 HA PHE 60 2.970 4.200 -2.184 493 HB2 PHE 60 2HB PHE 60 2.521 1.982 -3.365 494 HB3 PHE 60 1HB PHE 60 3.381 1.898 -1.830 495 HD1 PHE 60 2HD PHE 60 -0.125 1.830 -3.106 496 HD2 PHE 60 1HD PHE 60 2.716 0.297 -0.332 497 HE1 PHE 60 2HE PHE 60 -1.813 0.258 -2.254 498 HE2 PHE 60 1HE PHE 60 1.032 -1.278 0.527 499 HZ PHE 60 HZ PHE 60 -1.235 -1.298 -0.432 500 HA PRO 61 HA PRO 61 -0.166 5.644 -4.925 501 HB2 PRO 61 2HB PRO 61 1.206 4.511 -7.251 502 HB3 PRO 61 1HB PRO 61 1.001 6.203 -6.789 503 HG2 PRO 61 2HG PRO 61 3.393 4.955 -6.679 504 HG3 PRO 61 1HG PRO 61 2.933 6.236 -5.543 505 HD2 PRO 61 2HD PRO 61 2.933 3.265 -5.153 506 HD3 PRO 61 1HD PRO 61 3.450 4.547 -4.039 507 H ALA 62 H ALA 62 -2.076 4.963 -5.715 508 HA ALA 62 HA ALA 62 -2.724 2.195 -5.662 509 HB1 ALA 62 1HB ALA 62 -4.254 4.143 -5.126 510 HB2 ALA 62 2HB ALA 62 -4.938 2.847 -6.108 511 HB3 ALA 62 3HB ALA 62 -4.427 4.354 -6.869 512 H SER 63 H SER 63 -1.279 4.087 -8.047 513 HA SER 63 HA SER 63 -2.419 2.653 -10.296 514 HB2 SER 63 2HB SER 63 -0.494 4.927 -9.987 515 HB3 SER 63 1HB SER 63 -0.546 4.038 -11.509 516 HG SER 63 HG SER 63 -2.488 4.815 -11.917 517 H TYR 64 H TYR 64 -0.466 1.578 -8.061 518 HA TYR 64 HA TYR 64 1.029 -0.099 -9.920 519 HB2 TYR 64 2HB TYR 64 2.302 1.472 -7.675 520 HB3 TYR 64 1HB TYR 64 3.103 0.175 -8.562 521 HD1 TYR 64 2HD TYR 64 2.829 0.493 -11.244 522 HD2 TYR 64 1HD TYR 64 2.832 3.614 -8.353 523 HE1 TYR 64 2HE TYR 64 3.504 2.091 -12.983 524 HE2 TYR 64 1HE TYR 64 3.503 5.225 -10.084 525 HH TYR 64 HH TYR 64 3.450 4.460 -13.428 526 H ILE 65 H ILE 65 -1.280 -0.559 -8.305 527 HA ILE 65 HA ILE 65 -0.241 -2.705 -6.583 528 HB ILE 65 HB ILE 65 -2.678 -1.104 -5.834 529 HG12 ILE 65 2HG1 ILE 65 -0.658 0.362 -5.870 530 HG13 ILE 65 1HG1 ILE 65 -1.345 0.156 -4.261 531 HG21 ILE 65 1HG2 ILE 65 -2.682 -3.216 -4.798 532 HG22 ILE 65 2HG2 ILE 65 -2.096 -2.089 -3.573 533 HG23 ILE 65 3HG2 ILE 65 -0.958 -3.129 -4.432 534 HD11 ILE 65 3HD1 ILE 65 0.886 -1.605 -5.162 535 HD12 ILE 65 1HD1 ILE 65 0.420 -1.125 -3.530 536 HD13 ILE 65 2HD1 ILE 65 1.216 0.034 -4.597 537 H HIS 66 H HIS 66 -1.532 -4.566 -6.468 538 HA HIS 66 HA HIS 66 -4.010 -4.648 -7.989 539 HB2 HIS 66 2HB HIS 66 -2.151 -5.109 -9.615 540 HB3 HIS 66 1HB HIS 66 -1.746 -6.534 -8.664 541 HD1 HIS 66 1HD HIS 66 -3.936 -5.368 -11.344 542 HD2 HIS 66 2HD HIS 66 -3.866 -8.530 -8.649 543 HE1 HIS 66 1HE HIS 66 -5.560 -7.061 -12.252 544 HE2 HIS 66 2HE HIS 66 -5.574 -8.920 -10.552 545 H LEU 67 H LEU 67 -5.375 -5.542 -6.599 546 HA LEU 67 HA LEU 67 -4.647 -7.105 -4.390 547 HB2 LEU 67 2HB LEU 67 -7.301 -6.852 -5.800 548 HB3 LEU 67 1HB LEU 67 -7.079 -7.645 -4.252 549 HG LEU 67 HG LEU 67 -6.691 -4.719 -4.868 550 HD11 LEU 67 1HD1 LEU 67 -8.470 -4.423 -3.219 551 HD12 LEU 67 2HD1 LEU 67 -8.596 -6.173 -3.038 552 HD13 LEU 67 3HD1 LEU 67 -9.006 -5.413 -4.577 553 HD21 LEU 67 3HD2 LEU 67 -4.949 -5.250 -3.362 554 HD22 LEU 67 1HD2 LEU 67 -5.989 -6.311 -2.415 555 HD23 LEU 67 2HD2 LEU 67 -6.247 -4.567 -2.384 556 H LYS 68 H LYS 68 -4.739 -9.298 -3.974 557 HA LYS 68 HA LYS 68 -4.840 -11.020 -6.364 558 HB2 LYS 68 2HB LYS 68 -3.019 -10.908 -4.045 559 HB3 LYS 68 1HB LYS 68 -3.518 -12.525 -4.525 560 HG2 LYS 68 2HG LYS 68 -2.761 -10.958 -6.823 561 HG3 LYS 68 1HG LYS 68 -1.470 -10.992 -5.621 562 HD2 LYS 68 2HD LYS 68 -2.450 -13.614 -5.751 563 HD3 LYS 68 1HD LYS 68 -2.351 -13.060 -7.424 564 HE2 LYS 68 2HE LYS 68 0.007 -12.158 -6.325 565 HE3 LYS 68 1HE LYS 68 -0.228 -13.716 -5.538 566 HZ1 LYS 68 3HZ LYS 68 1.017 -13.993 -7.560 567 HZ2 LYS 68 1HZ LYS 68 -0.185 -13.218 -8.464 568 HZ3 LYS 68 2HZ LYS 68 -0.500 -14.715 -7.744 569 H GLU 69 H GLU 69 -5.410 -13.347 -5.825 570 HA GLU 69 HA GLU 69 -7.928 -13.342 -4.424 571 HB2 GLU 69 2HB GLU 69 -7.198 -14.619 -6.622 572 HB3 GLU 69 1HB GLU 69 -6.693 -15.849 -5.472 573 HG2 GLU 69 2HG GLU 69 -8.777 -16.604 -5.602 574 HG3 GLU 69 1HG GLU 69 -9.214 -15.217 -4.604 575 H ALA 70 H ALA 70 -7.249 -12.977 -2.269 576 HA ALA 70 HA ALA 70 -5.409 -14.670 -0.922 577 HB1 ALA 70 1HB ALA 70 -7.459 -13.323 0.705 578 HB2 ALA 70 2HB ALA 70 -6.517 -12.271 -0.354 579 HB3 ALA 70 3HB ALA 70 -5.700 -13.288 0.833 580 H ILE 71 H ILE 71 -6.750 -15.317 1.449 581 HA ILE 71 HA ILE 71 -8.580 -17.433 0.525 582 HB ILE 71 HB ILE 71 -7.858 -18.724 2.533 583 HG12 ILE 71 2HG1 ILE 71 -5.440 -17.919 3.257 584 HG13 ILE 71 1HG1 ILE 71 -6.079 -16.343 2.817 585 HG21 ILE 71 1HG2 ILE 71 -5.363 -18.277 1.017 586 HG22 ILE 71 2HG2 ILE 71 -6.802 -18.669 0.073 587 HG23 ILE 71 3HG2 ILE 71 -6.248 -19.768 1.338 588 HD11 ILE 71 3HD1 ILE 71 -7.804 -16.503 4.438 589 HD12 ILE 71 1HD1 ILE 71 -6.291 -16.943 5.228 590 HD13 ILE 71 2HD1 ILE 71 -7.434 -18.198 4.751 591 H VAL 72 H VAL 72 -10.265 -18.085 1.994 592 HA VAL 72 HA VAL 72 -11.053 -15.943 3.862 593 HB VAL 72 HB VAL 72 -13.414 -16.533 3.355 594 HG11 VAL 72 1HG1 VAL 72 -12.554 -14.605 2.281 595 HG12 VAL 72 2HG1 VAL 72 -13.416 -15.520 1.042 596 HG13 VAL 72 3HG1 VAL 72 -11.654 -15.570 1.111 597 HG21 VAL 72 3HG2 VAL 72 -12.229 -18.148 1.098 598 HG22 VAL 72 1HG2 VAL 72 -13.944 -17.871 1.406 599 HG23 VAL 72 2HG2 VAL 72 -12.985 -18.821 2.542 600 H GLU 73 H GLU 73 -9.522 -18.306 4.508 601 HA GLU 73 HA GLU 73 -11.454 -19.686 6.255 602 HB2 GLU 73 2HB GLU 73 -10.435 -21.111 4.449 603 HB3 GLU 73 1HB GLU 73 -8.869 -20.845 5.205 604 HG2 GLU 73 2HG GLU 73 -9.394 -22.123 7.053 605 HG3 GLU 73 1HG GLU 73 -11.131 -21.940 6.814 606 H GLY 74 H GLY 74 -10.989 -17.863 7.722 607 HA2 GLY 74 2HA GLY 74 -9.334 -18.584 9.825 608 HA3 GLY 74 1HA GLY 74 -8.392 -17.493 8.820 Start of MODEL 8 1 H1 MET 1 1HT MET 1 -10.699 12.276 12.149 2 H2 MET 1 2HT MET 1 -11.658 12.906 13.426 3 H3 MET 1 3HT MET 1 -11.119 13.938 12.164 4 HA MET 1 HA MET 1 -12.827 11.606 11.677 5 HB2 MET 1 2HB MET 1 -13.677 13.420 13.360 6 HB3 MET 1 1HB MET 1 -13.861 14.411 11.921 7 HG2 MET 1 2HG MET 1 -15.047 11.999 11.247 8 HG3 MET 1 1HG MET 1 -15.522 12.270 12.921 9 HE1 MET 1 2HE MET 1 -16.396 14.800 13.683 10 HE2 MET 1 3HE MET 1 -17.596 13.521 13.502 11 HE3 MET 1 1HE MET 1 -17.923 15.134 12.869 12 H THR 2 H THR 2 -13.590 11.526 9.588 13 HA THR 2 HA THR 2 -13.307 11.694 7.324 14 HB THR 2 HB THR 2 -15.061 13.276 7.555 15 HG1 THR 2 1HG THR 2 -14.707 14.426 5.775 16 HG21 THR 2 3HG2 THR 2 -12.989 15.298 8.368 17 HG22 THR 2 1HG2 THR 2 -14.293 14.650 9.363 18 HG23 THR 2 2HG2 THR 2 -14.667 15.672 7.976 19 H ARG 3 H ARG 3 -11.156 11.127 7.039 20 HA ARG 3 HA ARG 3 -9.458 13.289 6.111 21 HB2 ARG 3 2HB ARG 3 -7.502 12.345 7.435 22 HB3 ARG 3 1HB ARG 3 -8.691 13.269 8.344 23 HG2 ARG 3 2HG ARG 3 -9.692 10.768 8.604 24 HG3 ARG 3 1HG ARG 3 -7.962 10.431 8.522 25 HD2 ARG 3 2HD ARG 3 -8.093 12.588 10.224 26 HD3 ARG 3 1HD ARG 3 -9.535 11.664 10.645 27 HE ARG 3 HE ARG 3 -7.302 9.946 10.470 28 HH11 ARG 3 1HH1 ARG 3 -8.679 12.419 12.513 29 HH12 ARG 3 2HH1 ARG 3 -7.951 11.807 13.959 30 HH21 ARG 3 1HH2 ARG 3 -6.344 9.137 12.374 31 HH22 ARG 3 2HH2 ARG 3 -6.625 9.943 13.881 32 H TRP 4 H TRP 4 -9.518 9.803 6.840 33 HA TRP 4 HA TRP 4 -8.688 9.275 4.083 34 HB2 TRP 4 2HB TRP 4 -6.999 8.952 6.364 35 HB3 TRP 4 1HB TRP 4 -7.388 7.353 5.736 36 HD1 TRP 4 HD TRP 4 -6.859 10.473 3.548 37 HE1 TRP 4 1HE TRP 4 -4.849 10.047 1.998 38 HE3 TRP 4 3HE TRP 4 -5.360 5.995 5.427 39 HZ2 TRP 4 2HZ TRP 4 -2.878 8.054 1.629 40 HZ3 TRP 4 3HZ TRP 4 -3.403 4.876 4.432 41 HH2 TRP 4 HH TRP 4 -2.188 5.890 2.568 42 H VAL 5 H VAL 5 -8.564 6.614 4.014 43 HA VAL 5 HA VAL 5 -11.083 5.663 5.208 44 HB VAL 5 HB VAL 5 -10.160 4.941 2.426 45 HG11 VAL 5 1HG1 VAL 5 -12.207 3.838 2.176 46 HG12 VAL 5 2HG1 VAL 5 -12.910 4.628 3.586 47 HG13 VAL 5 3HG1 VAL 5 -11.670 3.392 3.794 48 HG21 VAL 5 3HG2 VAL 5 -12.464 6.766 3.025 49 HG22 VAL 5 1HG2 VAL 5 -11.610 6.518 1.501 50 HG23 VAL 5 2HG2 VAL 5 -10.830 7.395 2.817 51 HA PRO 6 HA PRO 6 -8.425 2.264 6.340 52 HB2 PRO 6 2HB PRO 6 -10.148 0.907 7.848 53 HB3 PRO 6 1HB PRO 6 -9.572 2.504 8.346 54 HG2 PRO 6 2HG PRO 6 -12.183 1.726 7.124 55 HG3 PRO 6 1HG PRO 6 -11.848 2.918 8.391 56 HD2 PRO 6 2HD PRO 6 -12.231 3.481 5.681 57 HD3 PRO 6 1HD PRO 6 -11.493 4.570 6.870 58 H THR 7 H THR 7 -10.132 2.176 3.769 59 HA THR 7 HA THR 7 -10.950 0.662 2.264 60 HB THR 7 HB THR 7 -8.616 0.280 1.946 61 HG1 THR 7 1HG THR 7 -9.813 -2.265 2.290 62 HG21 THR 7 3HG2 THR 7 -7.373 -1.440 3.203 63 HG22 THR 7 1HG2 THR 7 -8.727 -1.548 4.328 64 HG23 THR 7 2HG2 THR 7 -7.822 -0.042 4.179 65 H LYS 8 H LYS 8 -12.686 0.514 4.187 66 HA LYS 8 HA LYS 8 -12.917 -1.906 5.602 67 HB2 LYS 8 2HB LYS 8 -14.221 0.376 5.794 68 HB3 LYS 8 1HB LYS 8 -15.348 -0.415 4.701 69 HG2 LYS 8 2HG LYS 8 -16.197 -1.677 6.325 70 HG3 LYS 8 1HG LYS 8 -14.599 -2.111 6.937 71 HD2 LYS 8 2HD LYS 8 -14.623 -0.492 8.511 72 HD3 LYS 8 1HD LYS 8 -15.435 0.665 7.454 73 HE2 LYS 8 2HE LYS 8 -16.886 0.110 9.301 74 HE3 LYS 8 1HE LYS 8 -17.556 -0.548 7.809 75 HZ1 LYS 8 3HZ LYS 8 -16.093 -2.039 9.917 76 HZ2 LYS 8 1HZ LYS 8 -16.536 -2.703 8.424 77 HZ3 LYS 8 2HZ LYS 8 -17.727 -2.189 9.511 78 H ARG 9 H ARG 9 -14.855 -3.412 5.248 79 HA ARG 9 HA ARG 9 -15.788 -5.090 4.031 80 HB2 ARG 9 2HB ARG 9 -15.947 -2.736 2.212 81 HB3 ARG 9 1HB ARG 9 -16.291 -4.322 1.530 82 HG2 ARG 9 2HG ARG 9 -17.652 -3.766 4.065 83 HG3 ARG 9 1HG ARG 9 -18.118 -2.716 2.726 84 HD2 ARG 9 2HD ARG 9 -19.592 -4.565 2.665 85 HD3 ARG 9 1HD ARG 9 -18.438 -4.808 1.355 86 HE ARG 9 HE ARG 9 -17.330 -6.181 3.395 87 HH11 ARG 9 1HH1 ARG 9 -20.527 -6.191 1.996 88 HH12 ARG 9 2HH1 ARG 9 -20.823 -7.855 2.376 89 HH21 ARG 9 1HH2 ARG 9 -17.717 -8.369 3.895 90 HH22 ARG 9 2HH2 ARG 9 -19.229 -9.091 3.454 91 H GLU 10 H GLU 10 -12.894 -4.854 4.140 92 HA GLU 10 HA GLU 10 -12.255 -6.418 1.734 93 HB2 GLU 10 2HB GLU 10 -11.207 -3.879 2.366 94 HB3 GLU 10 1HB GLU 10 -9.923 -5.032 2.704 95 HG2 GLU 10 2HG GLU 10 -9.454 -4.788 0.535 96 HG3 GLU 10 1HG GLU 10 -10.780 -5.926 0.302 97 H GLU 11 H GLU 11 -10.733 -8.073 2.005 98 HA GLU 11 HA GLU 11 -9.494 -8.545 4.555 99 HB2 GLU 11 2HB GLU 11 -10.623 -10.765 4.882 100 HB3 GLU 11 1HB GLU 11 -11.652 -9.367 5.161 101 HG2 GLU 11 2HG GLU 11 -11.679 -10.492 2.434 102 HG3 GLU 11 1HG GLU 11 -12.392 -11.484 3.707 103 H LYS 12 H LYS 12 -8.505 -8.215 1.946 104 HA LYS 12 HA LYS 12 -7.249 -10.839 1.553 105 HB2 LYS 12 2HB LYS 12 -8.065 -9.085 -0.760 106 HB3 LYS 12 1HB LYS 12 -7.453 -10.732 -0.820 107 HG2 LYS 12 2HG LYS 12 -9.460 -11.644 -0.119 108 HG3 LYS 12 1HG LYS 12 -10.014 -10.127 0.595 109 HD2 LYS 12 2HD LYS 12 -10.660 -9.254 -1.435 110 HD3 LYS 12 1HD LYS 12 -9.519 -10.248 -2.344 111 HE2 LYS 12 2HE LYS 12 -11.550 -11.784 -0.904 112 HE3 LYS 12 1HE LYS 12 -12.209 -10.708 -2.135 113 HZ1 LYS 12 3HZ LYS 12 -9.900 -12.264 -2.943 114 HZ2 LYS 12 1HZ LYS 12 -11.324 -11.917 -3.789 115 HZ3 LYS 12 2HZ LYS 12 -11.302 -13.159 -2.642 116 H TYR 13 H TYR 13 -5.444 -10.392 -0.308 117 HA TYR 13 HA TYR 13 -3.876 -8.109 0.702 118 HB2 TYR 13 2HB TYR 13 -2.568 -10.447 -0.630 119 HB3 TYR 13 1HB TYR 13 -1.933 -9.364 0.604 120 HD1 TYR 13 1HD TYR 13 -3.538 -9.504 2.863 121 HD2 TYR 13 2HD TYR 13 -2.783 -12.621 0.069 122 HE1 TYR 13 1HE TYR 13 -4.061 -11.172 4.593 123 HE2 TYR 13 2HE TYR 13 -3.304 -14.298 1.790 124 HH TYR 13 HH TYR 13 -4.613 -14.424 3.903 125 H GLY 14 H GLY 14 -1.983 -7.693 -1.020 126 HA2 GLY 14 2HA GLY 14 -3.042 -7.767 -3.743 127 HA3 GLY 14 1HA GLY 14 -2.779 -6.182 -3.031 128 H VAL 15 H VAL 15 -1.461 -6.674 -5.291 129 HA VAL 15 HA VAL 15 1.301 -7.188 -4.394 130 HB VAL 15 HB VAL 15 0.225 -7.730 -7.165 131 HG11 VAL 15 1HG1 VAL 15 2.796 -7.212 -6.430 132 HG12 VAL 15 2HG1 VAL 15 2.323 -8.189 -7.820 133 HG13 VAL 15 3HG1 VAL 15 2.735 -8.969 -6.292 134 HG21 VAL 15 3HG2 VAL 15 0.719 -10.150 -6.453 135 HG22 VAL 15 1HG2 VAL 15 -0.759 -9.392 -5.858 136 HG23 VAL 15 2HG2 VAL 15 0.651 -9.530 -4.804 137 H ALA 16 H ALA 16 2.817 -5.706 -4.908 138 HA ALA 16 HA ALA 16 1.929 -3.366 -6.463 139 HB1 ALA 16 1HB ALA 16 4.113 -2.535 -5.003 140 HB2 ALA 16 2HB ALA 16 3.270 -3.617 -3.896 141 HB3 ALA 16 3HB ALA 16 2.422 -2.240 -4.600 142 H PHE 17 H PHE 17 2.893 -3.141 -8.384 143 HA PHE 17 HA PHE 17 5.556 -4.348 -8.743 144 HB2 PHE 17 2HB PHE 17 4.965 -4.309 -11.204 145 HB3 PHE 17 1HB PHE 17 4.024 -5.418 -10.215 146 HD1 PHE 17 2HD PHE 17 1.699 -4.800 -9.558 147 HD2 PHE 17 1HD PHE 17 3.939 -2.555 -12.395 148 HE1 PHE 17 2HE PHE 17 -0.379 -3.773 -10.382 149 HE2 PHE 17 1HE PHE 17 1.864 -1.523 -13.223 150 HZ PHE 17 HZ PHE 17 -0.299 -2.132 -12.217 151 H TYR 18 H TYR 18 6.799 -2.614 -8.105 152 HA TYR 18 HA TYR 18 7.201 -0.588 -10.090 153 HB2 TYR 18 2HB TYR 18 5.358 0.062 -8.139 154 HB3 TYR 18 1HB TYR 18 6.848 0.761 -7.519 155 HD1 TYR 18 2HD TYR 18 4.430 0.812 -10.294 156 HD2 TYR 18 1HD TYR 18 7.869 2.651 -8.592 157 HE1 TYR 18 2HE TYR 18 4.147 2.730 -11.807 158 HE2 TYR 18 1HE TYR 18 7.596 4.573 -10.100 159 HH TYR 18 HH TYR 18 6.552 5.089 -12.256 160 H ASN 19 H ASN 19 8.941 1.015 -9.266 161 HA ASN 19 HA ASN 19 10.902 -0.508 -7.674 162 HB2 ASN 19 2HB ASN 19 11.366 1.390 -9.986 163 HB3 ASN 19 1HB ASN 19 12.649 0.715 -8.986 164 HD21 ASN 19 1HD2 ASN 19 10.250 0.060 -11.408 165 HD22 ASN 19 2HD2 ASN 19 10.851 -1.491 -11.875 166 H TYR 20 H TYR 20 9.268 0.902 -6.178 167 HA TYR 20 HA TYR 20 10.238 3.608 -5.801 168 HB2 TYR 20 2HB TYR 20 7.818 3.006 -5.583 169 HB3 TYR 20 1HB TYR 20 8.225 2.066 -4.153 170 HD1 TYR 20 1HD TYR 20 9.778 5.316 -4.977 171 HD2 TYR 20 2HD TYR 20 6.874 3.291 -2.616 172 HE1 TYR 20 1HE TYR 20 9.513 7.325 -3.588 173 HE2 TYR 20 2HE TYR 20 6.601 5.297 -1.221 174 HH TYR 20 HH TYR 20 7.321 8.185 -1.991 175 H ASP 21 H ASP 21 11.380 4.363 -4.056 176 HA ASP 21 HA ASP 21 12.401 2.354 -2.162 177 HB2 ASP 21 2HB ASP 21 13.954 3.356 -4.119 178 HB3 ASP 21 1HB ASP 21 14.194 4.601 -2.897 179 H ALA 22 H ALA 22 11.841 2.869 -0.158 180 HA ALA 22 HA ALA 22 10.744 5.375 0.559 181 HB1 ALA 22 1HB ALA 22 11.256 4.320 2.956 182 HB2 ALA 22 2HB ALA 22 11.424 2.866 1.973 183 HB3 ALA 22 3HB ALA 22 9.917 3.781 1.942 184 H ARG 23 H ARG 23 11.579 7.097 1.651 185 HA ARG 23 HA ARG 23 14.501 7.231 1.785 186 HB2 ARG 23 2HB ARG 23 12.748 8.977 0.692 187 HB3 ARG 23 1HB ARG 23 12.893 9.659 2.305 188 HG2 ARG 23 2HG ARG 23 15.489 9.280 1.741 189 HG3 ARG 23 1HG ARG 23 14.857 9.538 0.113 190 HD2 ARG 23 2HD ARG 23 13.732 11.607 0.995 191 HD3 ARG 23 1HD ARG 23 14.642 11.379 2.488 192 HE ARG 23 HE ARG 23 15.617 12.450 0.034 193 HH11 ARG 23 1HH1 ARG 23 16.552 10.578 2.827 194 HH12 ARG 23 2HH1 ARG 23 18.223 11.020 2.719 195 HH21 ARG 23 1HH2 ARG 23 17.815 13.032 -0.108 196 HH22 ARG 23 2HH2 ARG 23 18.940 12.414 1.053 197 H GLY 24 H GLY 24 11.717 7.051 3.791 198 HA2 GLY 24 2HA GLY 24 13.428 7.183 6.151 199 HA3 GLY 24 1HA GLY 24 12.106 8.338 6.076 200 H ALA 25 H ALA 25 11.652 7.097 8.148 201 HA ALA 25 HA ALA 25 10.618 4.447 7.953 202 HB1 ALA 25 1HB ALA 25 10.300 4.552 10.216 203 HB2 ALA 25 2HB ALA 25 9.808 6.245 10.180 204 HB3 ALA 25 3HB ALA 25 11.511 5.820 10.019 205 H ASP 26 H ASP 26 9.256 7.645 7.645 206 HA ASP 26 HA ASP 26 6.548 7.062 8.019 207 HB2 ASP 26 2HB ASP 26 8.104 9.271 7.095 208 HB3 ASP 26 1HB ASP 26 6.780 9.021 5.963 209 H GLU 27 H GLU 27 8.653 6.555 5.272 210 HA GLU 27 HA GLU 27 6.372 5.475 3.753 211 HB2 GLU 27 2HB GLU 27 8.529 7.210 3.001 212 HB3 GLU 27 1HB GLU 27 8.640 5.722 2.071 213 HG2 GLU 27 2HG GLU 27 7.159 6.619 0.692 214 HG3 GLU 27 1HG GLU 27 5.959 6.351 1.956 215 H LEU 28 H LEU 28 7.173 3.722 2.129 216 HA LEU 28 HA LEU 28 9.159 1.962 3.362 217 HB2 LEU 28 2HB LEU 28 6.924 1.327 4.227 218 HB3 LEU 28 1HB LEU 28 6.390 1.054 2.578 219 HG LEU 28 HG LEU 28 8.799 -0.451 3.174 220 HD11 LEU 28 1HD1 LEU 28 8.231 -1.691 4.976 221 HD12 LEU 28 2HD1 LEU 28 6.501 -1.566 4.655 222 HD13 LEU 28 3HD1 LEU 28 7.355 -0.225 5.418 223 HD21 LEU 28 3HD2 LEU 28 6.949 -2.282 2.585 224 HD22 LEU 28 1HD2 LEU 28 7.726 -1.282 1.358 225 HD23 LEU 28 2HD2 LEU 28 6.128 -0.849 1.965 226 H SER 29 H SER 29 10.461 1.046 1.909 227 HA SER 29 HA SER 29 10.358 1.717 -0.810 228 HB2 SER 29 2HB SER 29 11.968 -0.189 0.833 229 HB3 SER 29 1HB SER 29 12.032 -0.336 -0.924 230 HG SER 29 HG SER 29 13.582 1.146 0.229 231 H LEU 30 H LEU 30 9.259 0.895 -2.465 232 HA LEU 30 HA LEU 30 7.931 -1.703 -2.089 233 HB2 LEU 30 2HB LEU 30 6.926 0.808 -2.895 234 HB3 LEU 30 1HB LEU 30 6.892 -0.214 -4.319 235 HG LEU 30 HG LEU 30 4.773 -0.430 -3.289 236 HD11 LEU 30 1HD1 LEU 30 5.845 -2.536 -4.055 237 HD12 LEU 30 2HD1 LEU 30 4.641 -2.768 -2.787 238 HD13 LEU 30 3HD1 LEU 30 6.359 -2.831 -2.394 239 HD21 LEU 30 3HD2 LEU 30 4.517 -1.102 -0.922 240 HD22 LEU 30 1HD2 LEU 30 5.273 0.481 -1.115 241 HD23 LEU 30 2HD2 LEU 30 6.260 -0.926 -0.714 242 H GLN 31 H GLN 31 8.410 -3.348 -3.398 243 HA GLN 31 HA GLN 31 9.944 -2.777 -5.848 244 HB2 GLN 31 2HB GLN 31 10.398 -4.928 -3.784 245 HB3 GLN 31 1HB GLN 31 11.073 -5.019 -5.405 246 HG2 GLN 31 2HG GLN 31 12.598 -3.388 -5.015 247 HG3 GLN 31 1HG GLN 31 11.562 -2.537 -3.869 248 HE21 GLN 31 1HE2 GLN 31 14.409 -3.522 -3.797 249 HE22 GLN 31 2HE2 GLN 31 14.518 -4.406 -2.319 250 H ILE 32 H ILE 32 9.690 -4.290 -7.572 251 HA ILE 32 HA ILE 32 7.015 -5.179 -7.905 252 HB ILE 32 HB ILE 32 9.402 -5.924 -9.599 253 HG12 ILE 32 2HG1 ILE 32 7.514 -3.633 -10.117 254 HG13 ILE 32 1HG1 ILE 32 8.988 -3.418 -9.177 255 HG21 ILE 32 1HG2 ILE 32 6.750 -5.548 -10.809 256 HG22 ILE 32 2HG2 ILE 32 6.893 -6.933 -9.724 257 HG23 ILE 32 3HG2 ILE 32 7.974 -6.783 -11.109 258 HD11 ILE 32 3HD1 ILE 32 8.823 -3.065 -11.836 259 HD12 ILE 32 1HD1 ILE 32 9.332 -4.753 -11.769 260 HD13 ILE 32 2HD1 ILE 32 10.306 -3.505 -10.988 261 H GLY 33 H GLY 33 6.108 -7.165 -7.756 262 HA2 GLY 33 2HA GLY 33 6.076 -9.514 -7.599 263 HA3 GLY 33 1HA GLY 33 7.804 -9.495 -7.288 264 H ASP 34 H ASP 34 6.636 -7.161 -5.336 265 HA ASP 34 HA ASP 34 6.593 -8.969 -3.045 266 HB2 ASP 34 2HB ASP 34 7.021 -6.011 -3.367 267 HB3 ASP 34 1HB ASP 34 6.653 -6.700 -1.790 268 H THR 35 H THR 35 4.849 -9.299 -1.780 269 HA THR 35 HA THR 35 2.315 -8.163 -2.673 270 HB THR 35 HB THR 35 2.820 -10.299 -0.593 271 HG1 THR 35 1HG THR 35 2.822 -11.715 -2.162 272 HG21 THR 35 3HG2 THR 35 0.595 -10.747 -0.535 273 HG22 THR 35 1HG2 THR 35 0.309 -10.115 -2.156 274 HG23 THR 35 2HG2 THR 35 0.537 -9.006 -0.804 275 H VAL 36 H VAL 36 0.976 -6.922 -1.393 276 HA VAL 36 HA VAL 36 2.004 -6.148 1.251 277 HB VAL 36 HB VAL 36 1.389 -3.803 0.809 278 HG11 VAL 36 1HG1 VAL 36 3.203 -3.592 -1.170 279 HG12 VAL 36 2HG1 VAL 36 3.524 -5.239 -0.628 280 HG13 VAL 36 3HG1 VAL 36 3.624 -3.901 0.514 281 HG21 VAL 36 3HG2 VAL 36 -0.240 -3.848 -0.852 282 HG22 VAL 36 1HG2 VAL 36 0.707 -4.913 -1.889 283 HG23 VAL 36 2HG2 VAL 36 1.176 -3.224 -1.698 284 H HIS 37 H HIS 37 0.485 -5.622 2.789 285 HA HIS 37 HA HIS 37 -2.265 -6.398 2.142 286 HB2 HIS 37 2HB HIS 37 -0.802 -6.114 4.772 287 HB3 HIS 37 1HB HIS 37 -2.529 -6.439 4.656 288 HD1 HIS 37 1HD HIS 37 -1.568 -8.628 6.062 289 HD2 HIS 37 2HD HIS 37 -0.810 -8.449 1.982 290 HE1 HIS 37 1HE HIS 37 -1.011 -10.982 5.379 291 HE2 HIS 37 2HE HIS 37 -0.646 -10.865 2.889 292 H ILE 38 H ILE 38 -3.471 -4.736 1.497 293 HA ILE 38 HA ILE 38 -2.956 -2.034 2.127 294 HB ILE 38 HB ILE 38 -5.544 -3.231 1.131 295 HG12 ILE 38 2HG1 ILE 38 -3.954 -1.928 -0.887 296 HG13 ILE 38 1HG1 ILE 38 -2.998 -3.177 -0.097 297 HG21 ILE 38 1HG2 ILE 38 -5.055 -0.664 1.986 298 HG22 ILE 38 2HG2 ILE 38 -6.340 -1.156 0.882 299 HG23 ILE 38 3HG2 ILE 38 -4.811 -0.554 0.242 300 HD11 ILE 38 3HD1 ILE 38 -5.473 -3.430 -1.727 301 HD12 ILE 38 1HD1 ILE 38 -5.110 -4.645 -0.503 302 HD13 ILE 38 2HD1 ILE 38 -3.966 -4.343 -1.809 303 H LEU 39 H LEU 39 -3.197 -1.110 4.031 304 HA LEU 39 HA LEU 39 -5.172 -2.136 5.925 305 HB2 LEU 39 2HB LEU 39 -2.822 -1.775 6.644 306 HB3 LEU 39 1HB LEU 39 -3.012 -0.063 6.320 307 HG LEU 39 HG LEU 39 -4.805 -1.469 8.272 308 HD11 LEU 39 1HD1 LEU 39 -2.467 0.017 9.296 309 HD12 LEU 39 2HD1 LEU 39 -2.160 -1.591 8.636 310 HD13 LEU 39 3HD1 LEU 39 -3.306 -1.385 9.961 311 HD21 LEU 39 3HD2 LEU 39 -4.457 1.019 9.197 312 HD22 LEU 39 1HD2 LEU 39 -5.708 0.594 8.029 313 HD23 LEU 39 2HD2 LEU 39 -4.194 1.311 7.477 314 H GLU 40 H GLU 40 -4.300 0.797 4.181 315 HA GLU 40 HA GLU 40 -6.988 1.845 4.697 316 HB2 GLU 40 2HB GLU 40 -4.381 3.248 5.212 317 HB3 GLU 40 1HB GLU 40 -5.831 4.164 4.823 318 HG2 GLU 40 2HG GLU 40 -6.496 2.296 6.851 319 HG3 GLU 40 1HG GLU 40 -5.007 3.114 7.324 320 H THR 41 H THR 41 -7.841 3.116 3.031 321 HA THR 41 HA THR 41 -6.173 3.399 0.631 322 HB THR 41 HB THR 41 -7.557 1.378 0.384 323 HG1 THR 41 1HG THR 41 -8.257 1.885 -1.625 324 HG21 THR 41 3HG2 THR 41 -9.788 1.258 0.630 325 HG22 THR 41 1HG2 THR 41 -10.049 2.925 0.113 326 HG23 THR 41 2HG2 THR 41 -9.502 2.586 1.754 327 H TYR 42 H TYR 42 -7.780 4.581 -1.100 328 HA TYR 42 HA TYR 42 -9.551 6.538 -0.140 329 HB2 TYR 42 2HB TYR 42 -7.249 7.281 0.815 330 HB3 TYR 42 1HB TYR 42 -6.899 7.771 -0.839 331 HD1 TYR 42 1HD TYR 42 -10.073 8.012 1.101 332 HD2 TYR 42 2HD TYR 42 -6.897 10.097 -0.814 333 HE1 TYR 42 1HE TYR 42 -11.241 10.139 1.492 334 HE2 TYR 42 2HE TYR 42 -8.055 12.230 -0.425 335 HH TYR 42 HH TYR 42 -10.240 13.088 0.022 336 H GLU 43 H GLU 43 -6.848 6.622 -2.461 337 HA GLU 43 HA GLU 43 -8.517 6.153 -4.722 338 HB2 GLU 43 2HB GLU 43 -9.066 8.549 -4.103 339 HB3 GLU 43 1HB GLU 43 -7.400 8.949 -4.500 340 HG2 GLU 43 2HG GLU 43 -8.014 9.233 -6.601 341 HG3 GLU 43 1HG GLU 43 -8.384 7.512 -6.692 342 H GLY 44 H GLY 44 -5.619 8.118 -4.057 343 HA2 GLY 44 2HA GLY 44 -4.062 6.205 -5.681 344 HA3 GLY 44 1HA GLY 44 -3.885 7.941 -5.899 345 H TRP 45 H TRP 45 -4.370 6.415 -2.798 346 HA TRP 45 HA TRP 45 -1.595 6.398 -2.079 347 HB2 TRP 45 2HB TRP 45 -2.738 8.844 -1.920 348 HB3 TRP 45 1HB TRP 45 -3.161 8.213 -0.339 349 HD1 TRP 45 HD TRP 45 -1.591 10.368 0.406 350 HE1 TRP 45 1HE TRP 45 0.923 10.441 0.919 351 HE3 TRP 45 3HE TRP 45 -0.110 6.065 -1.981 352 HZ2 TRP 45 2HZ TRP 45 3.216 8.911 0.396 353 HZ3 TRP 45 3HZ TRP 45 2.266 5.463 -1.917 354 HH2 TRP 45 HH TRP 45 3.894 6.852 -0.754 355 H TYR 46 H TYR 46 -1.718 4.378 -1.190 356 HA TYR 46 HA TYR 46 -3.743 3.982 0.920 357 HB2 TYR 46 2HB TYR 46 -2.482 1.763 -0.687 358 HB3 TYR 46 1HB TYR 46 -3.885 1.670 0.368 359 HD1 TYR 46 1HD TYR 46 -5.124 4.318 -0.769 360 HD2 TYR 46 2HD TYR 46 -3.609 0.771 -2.562 361 HE1 TYR 46 1HE TYR 46 -6.601 4.670 -2.701 362 HE2 TYR 46 2HE TYR 46 -5.082 1.114 -4.499 363 HH TYR 46 HH TYR 46 -7.112 2.265 -5.089 364 H ARG 47 H ARG 47 -3.149 2.724 2.734 365 HA ARG 47 HA ARG 47 -0.243 2.597 3.211 366 HB2 ARG 47 2HB ARG 47 -1.442 4.355 4.527 367 HB3 ARG 47 1HB ARG 47 -2.400 3.084 5.271 368 HG2 ARG 47 2HG ARG 47 0.191 2.240 5.673 369 HG3 ARG 47 1HG ARG 47 0.288 3.990 5.879 370 HD2 ARG 47 2HD ARG 47 -1.771 3.728 7.386 371 HD3 ARG 47 1HD ARG 47 -1.381 2.008 7.394 372 HE ARG 47 HE ARG 47 0.940 3.383 8.060 373 HH11 ARG 47 1HH1 ARG 47 -2.254 2.894 9.380 374 HH12 ARG 47 2HH1 ARG 47 -1.738 3.074 11.023 375 HH21 ARG 47 1HH2 ARG 47 1.620 3.619 10.220 376 HH22 ARG 47 2HH2 ARG 47 0.461 3.485 11.500 377 H GLY 48 H GLY 48 0.568 0.662 3.775 378 HA2 GLY 48 2HA GLY 48 -1.075 -1.307 5.120 379 HA3 GLY 48 1HA GLY 48 -0.641 -1.729 3.470 380 H TYR 49 H TYR 49 0.361 -3.581 4.618 381 HA TYR 49 HA TYR 49 3.149 -2.929 5.236 382 HB2 TYR 49 2HB TYR 49 3.121 -4.590 7.102 383 HB3 TYR 49 1HB TYR 49 2.144 -3.159 7.413 384 HD1 TYR 49 2HD TYR 49 -0.333 -3.308 7.311 385 HD2 TYR 49 1HD TYR 49 2.133 -6.758 6.960 386 HE1 TYR 49 2HE TYR 49 -2.276 -4.738 7.788 387 HE2 TYR 49 1HE TYR 49 0.196 -8.197 7.433 388 HH TYR 49 HH TYR 49 -2.113 -7.803 8.746 389 H THR 50 H THR 50 4.539 -4.201 4.188 390 HA THR 50 HA THR 50 3.653 -6.151 2.352 391 HB THR 50 HB THR 50 6.329 -6.679 2.638 392 HG1 THR 50 1HG THR 50 7.283 -4.621 2.987 393 HG21 THR 50 3HG2 THR 50 5.490 -4.245 1.128 394 HG22 THR 50 1HG2 THR 50 4.965 -5.849 0.614 395 HG23 THR 50 2HG2 THR 50 6.685 -5.472 0.707 396 H LEU 51 H LEU 51 4.414 -8.421 2.290 397 HA LEU 51 HA LEU 51 3.694 -9.753 4.721 398 HB2 LEU 51 2HB LEU 51 4.430 -10.613 1.957 399 HB3 LEU 51 1HB LEU 51 4.444 -11.798 3.249 400 HG LEU 51 HG LEU 51 2.331 -11.925 2.123 401 HD11 LEU 51 1HD1 LEU 51 1.763 -10.409 4.650 402 HD12 LEU 51 2HD1 LEU 51 2.458 -12.030 4.665 403 HD13 LEU 51 3HD1 LEU 51 0.870 -11.758 3.948 404 HD21 LEU 51 3HD2 LEU 51 0.871 -10.097 1.773 405 HD22 LEU 51 1HD2 LEU 51 2.463 -9.568 1.230 406 HD23 LEU 51 2HD2 LEU 51 1.841 -9.034 2.794 407 H ARG 52 H ARG 52 6.678 -9.173 2.951 408 HA ARG 52 HA ARG 52 8.324 -10.939 4.406 409 HB2 ARG 52 2HB ARG 52 8.804 -8.547 2.679 410 HB3 ARG 52 1HB ARG 52 10.132 -9.175 3.644 411 HG2 ARG 52 2HG ARG 52 9.535 -11.447 2.584 412 HG3 ARG 52 1HG ARG 52 8.654 -10.482 1.398 413 HD2 ARG 52 2HD ARG 52 10.854 -10.907 0.548 414 HD3 ARG 52 1HD ARG 52 10.742 -9.201 0.977 415 HE ARG 52 HE ARG 52 12.319 -11.250 2.329 416 HH11 ARG 52 1HH1 ARG 52 11.216 -7.934 2.239 417 HH12 ARG 52 2HH1 ARG 52 12.457 -7.366 3.303 418 HH21 ARG 52 1HH2 ARG 52 13.944 -10.498 3.728 419 HH22 ARG 52 2HH2 ARG 52 14.003 -8.819 4.149 420 H LYS 53 H LYS 53 7.243 -7.664 5.009 421 HA LYS 53 HA LYS 53 8.435 -7.825 7.684 422 HB2 LYS 53 2HB LYS 53 9.008 -5.387 7.522 423 HB3 LYS 53 1HB LYS 53 9.980 -6.437 6.501 424 HG2 LYS 53 2HG LYS 53 8.305 -5.846 4.646 425 HG3 LYS 53 1HG LYS 53 7.816 -4.525 5.711 426 HD2 LYS 53 2HD LYS 53 10.034 -3.615 5.700 427 HD3 LYS 53 1HD LYS 53 10.659 -5.019 4.830 428 HE2 LYS 53 2HE LYS 53 9.487 -4.423 2.855 429 HE3 LYS 53 1HE LYS 53 8.534 -3.208 3.705 430 HZ1 LYS 53 3HZ LYS 53 10.327 -2.242 2.366 431 HZ2 LYS 53 1HZ LYS 53 11.473 -3.074 3.294 432 HZ3 LYS 53 2HZ LYS 53 10.505 -1.885 4.010 433 H LYS 54 H LYS 54 6.423 -8.240 8.578 434 HA LYS 54 HA LYS 54 4.137 -6.611 8.019 435 HB2 LYS 54 2HB LYS 54 4.715 -8.661 10.157 436 HB3 LYS 54 1HB LYS 54 3.180 -7.817 10.034 437 HG2 LYS 54 2HG LYS 54 2.850 -8.736 7.794 438 HG3 LYS 54 1HG LYS 54 4.393 -9.585 7.920 439 HD2 LYS 54 2HD LYS 54 3.571 -10.910 9.755 440 HD3 LYS 54 1HD LYS 54 2.072 -9.980 9.805 441 HE2 LYS 54 2HE LYS 54 1.234 -11.587 8.496 442 HE3 LYS 54 1HE LYS 54 2.155 -10.826 7.201 443 HZ1 LYS 54 3HZ LYS 54 3.833 -12.395 7.363 444 HZ2 LYS 54 1HZ LYS 54 2.439 -13.326 7.599 445 HZ3 LYS 54 2HZ LYS 54 3.391 -12.878 8.922 446 H SER 55 H SER 55 6.700 -6.595 10.393 447 HA SER 55 HA SER 55 5.545 -4.917 12.314 448 HB2 SER 55 2HB SER 55 7.897 -6.228 12.153 449 HB3 SER 55 1HB SER 55 8.447 -4.592 11.796 450 HG SER 55 HG SER 55 7.029 -5.474 14.089 451 H LYS 56 H LYS 56 7.821 -4.034 9.712 452 HA LYS 56 HA LYS 56 7.419 -1.236 10.082 453 HB2 LYS 56 2HB LYS 56 9.108 -2.946 8.490 454 HB3 LYS 56 1HB LYS 56 8.434 -1.668 7.489 455 HG2 LYS 56 2HG LYS 56 9.209 -0.070 9.332 456 HG3 LYS 56 1HG LYS 56 10.174 -1.428 9.915 457 HD2 LYS 56 2HD LYS 56 11.433 -1.518 7.922 458 HD3 LYS 56 1HD LYS 56 10.294 -0.479 7.065 459 HE2 LYS 56 2HE LYS 56 10.915 1.374 8.590 460 HE3 LYS 56 1HE LYS 56 12.130 0.323 9.318 461 HZ1 LYS 56 3HZ LYS 56 12.159 0.736 6.411 462 HZ2 LYS 56 1HZ LYS 56 13.443 0.401 7.461 463 HZ3 LYS 56 2HZ LYS 56 12.770 1.952 7.413 464 H LYS 57 H LYS 57 5.911 0.063 9.263 465 HA LYS 57 HA LYS 57 4.088 -1.044 7.234 466 HB2 LYS 57 2HB LYS 57 3.680 0.555 9.658 467 HB3 LYS 57 1HB LYS 57 2.815 1.168 8.256 468 HG2 LYS 57 2HG LYS 57 1.658 -0.898 7.972 469 HG3 LYS 57 1HG LYS 57 2.657 -1.684 9.197 470 HD2 LYS 57 2HD LYS 57 1.287 0.734 10.130 471 HD3 LYS 57 1HD LYS 57 0.203 -0.573 9.646 472 HE2 LYS 57 2HE LYS 57 0.784 -0.671 12.035 473 HE3 LYS 57 1HE LYS 57 1.318 -2.102 11.155 474 HZ1 LYS 57 3HZ LYS 57 2.967 0.157 12.127 475 HZ2 LYS 57 1HZ LYS 57 3.540 -0.960 10.992 476 HZ3 LYS 57 2HZ LYS 57 3.093 -1.480 12.539 477 H GLY 58 H GLY 58 3.154 0.535 5.696 478 HA2 GLY 58 2HA GLY 58 4.467 3.043 5.278 479 HA3 GLY 58 1HA GLY 58 5.047 1.810 4.170 480 H ILE 59 H ILE 59 4.112 3.584 2.716 481 HA ILE 59 HA ILE 59 1.352 2.814 2.057 482 HB ILE 59 HB ILE 59 1.120 5.254 1.213 483 HG12 ILE 59 2HG1 ILE 59 3.284 5.571 3.309 484 HG13 ILE 59 1HG1 ILE 59 3.448 5.921 1.589 485 HG21 ILE 59 1HG2 ILE 59 -0.376 4.677 2.850 486 HG22 ILE 59 2HG2 ILE 59 0.543 5.930 3.683 487 HG23 ILE 59 3HG2 ILE 59 0.885 4.229 3.999 488 HD11 ILE 59 3HD1 ILE 59 3.100 8.014 2.423 489 HD12 ILE 59 1HD1 ILE 59 2.041 7.446 3.714 490 HD13 ILE 59 2HD1 ILE 59 1.440 7.540 2.060 491 H PHE 60 H PHE 60 0.782 3.066 -0.175 492 HA PHE 60 HA PHE 60 2.907 3.632 -2.065 493 HB2 PHE 60 2HB PHE 60 2.556 1.436 -3.238 494 HB3 PHE 60 1HB PHE 60 3.358 1.312 -1.676 495 HD1 PHE 60 2HD PHE 60 -0.062 1.175 -3.154 496 HD2 PHE 60 1HD PHE 60 2.622 -0.277 -0.187 497 HE1 PHE 60 2HE PHE 60 -1.761 -0.441 -2.414 498 HE2 PHE 60 1HE PHE 60 0.926 -1.901 0.552 499 HZ PHE 60 HZ PHE 60 -1.268 -1.981 -0.568 500 HA PRO 61 HA PRO 61 -0.573 5.149 -4.346 501 HB2 PRO 61 2HB PRO 61 0.971 4.812 -6.814 502 HB3 PRO 61 1HB PRO 61 0.434 6.298 -6.026 503 HG2 PRO 61 2HG PRO 61 3.029 5.557 -6.096 504 HG3 PRO 61 1HG PRO 61 2.333 6.462 -4.740 505 HD2 PRO 61 2HD PRO 61 2.944 3.538 -4.954 506 HD3 PRO 61 1HD PRO 61 3.190 4.646 -3.587 507 H ALA 62 H ALA 62 -2.272 4.395 -5.546 508 HA ALA 62 HA ALA 62 -2.490 1.584 -5.925 509 HB1 ALA 62 1HB ALA 62 -4.291 3.489 -5.470 510 HB2 ALA 62 2HB ALA 62 -4.708 1.953 -6.231 511 HB3 ALA 62 3HB ALA 62 -4.446 3.387 -7.223 512 H SER 63 H SER 63 -1.124 3.978 -7.854 513 HA SER 63 HA SER 63 -1.873 3.390 -10.436 514 HB2 SER 63 2HB SER 63 0.288 4.295 -11.130 515 HB3 SER 63 1HB SER 63 -0.386 5.254 -9.814 516 HG SER 63 HG SER 63 1.526 4.913 -8.983 517 H TYR 64 H TYR 64 0.015 1.419 -8.285 518 HA TYR 64 HA TYR 64 0.269 -0.552 -10.441 519 HB2 TYR 64 2HB TYR 64 2.570 -1.109 -9.701 520 HB3 TYR 64 1HB TYR 64 2.435 0.518 -10.358 521 HD1 TYR 64 1HD TYR 64 2.973 -1.464 -7.317 522 HD2 TYR 64 2HD TYR 64 2.732 2.460 -8.946 523 HE1 TYR 64 1HE TYR 64 3.990 -0.559 -5.269 524 HE2 TYR 64 2HE TYR 64 3.750 3.375 -6.903 525 HH TYR 64 HH TYR 64 5.346 2.377 -5.033 526 H ILE 65 H ILE 65 -1.647 -0.548 -8.369 527 HA ILE 65 HA ILE 65 -0.683 -2.766 -6.681 528 HB ILE 65 HB ILE 65 -3.008 -0.922 -6.117 529 HG12 ILE 65 2HG1 ILE 65 -0.978 0.331 -5.861 530 HG13 ILE 65 1HG1 ILE 65 -1.528 -0.117 -4.248 531 HG21 ILE 65 1HG2 ILE 65 -3.239 -3.211 -5.217 532 HG22 ILE 65 2HG2 ILE 65 -3.101 -1.990 -3.953 533 HG23 ILE 65 3HG2 ILE 65 -1.713 -3.000 -4.357 534 HD11 ILE 65 3HD1 ILE 65 0.904 -0.344 -4.553 535 HD12 ILE 65 1HD1 ILE 65 0.610 -1.565 -5.791 536 HD13 ILE 65 2HD1 ILE 65 0.118 -1.863 -4.125 537 H HIS 66 H HIS 66 -1.595 -4.699 -6.880 538 HA HIS 66 HA HIS 66 -4.190 -4.925 -8.239 539 HB2 HIS 66 2HB HIS 66 -2.439 -5.407 -9.891 540 HB3 HIS 66 1HB HIS 66 -1.749 -6.618 -8.816 541 HD1 HIS 66 1HD HIS 66 -4.085 -6.243 -11.546 542 HD2 HIS 66 2HD HIS 66 -3.638 -8.846 -8.339 543 HE1 HIS 66 1HE HIS 66 -5.470 -8.261 -12.122 544 HE2 HIS 66 2HE HIS 66 -5.263 -9.779 -10.121 545 H LEU 67 H LEU 67 -5.530 -5.802 -6.812 546 HA LEU 67 HA LEU 67 -4.784 -7.165 -4.492 547 HB2 LEU 67 2HB LEU 67 -7.361 -7.004 -6.022 548 HB3 LEU 67 1HB LEU 67 -7.228 -7.985 -4.575 549 HG LEU 67 HG LEU 67 -6.632 -5.999 -3.268 550 HD11 LEU 67 1HD1 LEU 67 -7.009 -3.759 -4.397 551 HD12 LEU 67 2HD1 LEU 67 -6.879 -4.624 -5.928 552 HD13 LEU 67 3HD1 LEU 67 -5.519 -4.609 -4.806 553 HD21 LEU 67 3HD2 LEU 67 -8.886 -4.720 -3.858 554 HD22 LEU 67 1HD2 LEU 67 -8.877 -6.288 -3.053 555 HD23 LEU 67 2HD2 LEU 67 -9.169 -6.191 -4.789 556 H LYS 68 H LYS 68 -4.542 -9.280 -3.957 557 HA LYS 68 HA LYS 68 -4.005 -11.123 -6.101 558 HB2 LYS 68 2HB LYS 68 -3.793 -11.272 -3.103 559 HB3 LYS 68 1HB LYS 68 -3.559 -12.696 -4.106 560 HG2 LYS 68 2HG LYS 68 -2.002 -10.164 -4.515 561 HG3 LYS 68 1HG LYS 68 -1.481 -11.436 -3.409 562 HD2 LYS 68 2HD LYS 68 -2.136 -12.722 -5.820 563 HD3 LYS 68 1HD LYS 68 -1.219 -11.284 -6.271 564 HE2 LYS 68 2HE LYS 68 0.187 -12.286 -4.121 565 HE3 LYS 68 1HE LYS 68 -0.335 -13.737 -4.975 566 HZ1 LYS 68 3HZ LYS 68 1.625 -11.774 -5.728 567 HZ2 LYS 68 1HZ LYS 68 0.536 -12.133 -6.973 568 HZ3 LYS 68 2HZ LYS 68 1.439 -13.369 -6.254 569 H GLU 69 H GLU 69 -4.770 -13.548 -5.382 570 HA GLU 69 HA GLU 69 -7.640 -13.467 -5.754 571 HB2 GLU 69 2HB GLU 69 -5.733 -15.070 -6.789 572 HB3 GLU 69 1HB GLU 69 -6.267 -16.070 -5.446 573 HG2 GLU 69 2HG GLU 69 -8.570 -15.930 -6.271 574 HG3 GLU 69 1HG GLU 69 -8.011 -14.957 -7.631 575 H ALA 70 H ALA 70 -5.873 -13.206 -3.068 576 HA ALA 70 HA ALA 70 -6.258 -13.546 -0.854 577 HB1 ALA 70 1HB ALA 70 -8.500 -13.745 -0.100 578 HB2 ALA 70 2HB ALA 70 -9.023 -14.447 -1.631 579 HB3 ALA 70 3HB ALA 70 -8.540 -12.752 -1.558 580 H ILE 71 H ILE 71 -4.724 -15.302 -0.959 581 HA ILE 71 HA ILE 71 -5.970 -17.962 -0.742 582 HB ILE 71 HB ILE 71 -3.771 -18.912 -1.282 583 HG12 ILE 71 2HG1 ILE 71 -2.378 -16.783 -2.436 584 HG13 ILE 71 1HG1 ILE 71 -2.938 -16.153 -0.889 585 HG21 ILE 71 1HG2 ILE 71 -4.677 -16.886 -3.325 586 HG22 ILE 71 2HG2 ILE 71 -5.422 -18.460 -3.051 587 HG23 ILE 71 3HG2 ILE 71 -3.763 -18.362 -3.640 588 HD11 ILE 71 3HD1 ILE 71 -1.156 -17.121 0.003 589 HD12 ILE 71 1HD1 ILE 71 -0.826 -18.035 -1.469 590 HD13 ILE 71 2HD1 ILE 71 -1.963 -18.666 -0.276 591 H VAL 72 H VAL 72 -6.006 -18.855 1.209 592 HA VAL 72 HA VAL 72 -4.427 -17.667 3.351 593 HB VAL 72 HB VAL 72 -6.836 -18.059 3.722 594 HG11 VAL 72 1HG1 VAL 72 -7.767 -20.243 3.902 595 HG12 VAL 72 2HG1 VAL 72 -6.186 -20.999 3.708 596 HG13 VAL 72 3HG1 VAL 72 -6.932 -20.158 2.351 597 HG21 VAL 72 3HG2 VAL 72 -4.815 -18.396 5.477 598 HG22 VAL 72 1HG2 VAL 72 -5.631 -19.953 5.630 599 HG23 VAL 72 2HG2 VAL 72 -6.522 -18.459 5.919 600 H GLU 73 H GLU 73 -2.559 -18.507 3.974 601 HA GLU 73 HA GLU 73 -1.865 -21.223 3.150 602 HB2 GLU 73 2HB GLU 73 -0.352 -18.768 3.810 603 HB3 GLU 73 1HB GLU 73 0.400 -20.284 4.287 604 HG2 GLU 73 2HG GLU 73 -0.636 -20.347 1.573 605 HG3 GLU 73 1HG GLU 73 0.571 -19.086 1.822 606 H GLY 74 H GLY 74 -3.156 -22.330 4.698 607 HA2 GLY 74 2HA GLY 74 -2.747 -23.725 6.619 608 HA3 GLY 74 1HA GLY 74 -1.909 -22.373 7.367 Start of MODEL 9 1 H1 MET 1 1HT MET 1 -3.290 16.405 5.924 2 H2 MET 1 2HT MET 1 -2.438 16.341 7.412 3 H3 MET 1 3HT MET 1 -3.683 17.499 7.183 4 HA MET 1 HA MET 1 -3.908 14.586 7.462 5 HB2 MET 1 2HB MET 1 -3.877 16.575 9.312 6 HB3 MET 1 1HB MET 1 -5.595 16.512 8.944 7 HG2 MET 1 2HG MET 1 -5.134 13.903 9.264 8 HG3 MET 1 1HG MET 1 -3.869 14.545 10.310 9 HE1 MET 1 2HE MET 1 -5.297 13.141 12.391 10 HE2 MET 1 3HE MET 1 -5.762 14.474 13.448 11 HE3 MET 1 1HE MET 1 -4.219 14.522 12.594 12 H THR 2 H THR 2 -5.837 13.606 6.918 13 HA THR 2 HA THR 2 -8.049 15.142 5.884 14 HB THR 2 HB THR 2 -8.037 14.089 3.661 15 HG1 THR 2 1HG THR 2 -6.597 12.643 3.114 16 HG21 THR 2 3HG2 THR 2 -6.917 16.280 3.943 17 HG22 THR 2 1HG2 THR 2 -6.270 15.307 2.623 18 HG23 THR 2 2HG2 THR 2 -5.389 15.422 4.146 19 H ARG 3 H ARG 3 -9.960 13.993 5.848 20 HA ARG 3 HA ARG 3 -10.199 11.785 7.540 21 HB2 ARG 3 2HB ARG 3 -12.068 12.897 5.448 22 HB3 ARG 3 1HB ARG 3 -12.514 11.583 6.528 23 HG2 ARG 3 2HG ARG 3 -12.839 12.956 8.265 24 HG3 ARG 3 1HG ARG 3 -11.419 13.931 7.887 25 HD2 ARG 3 2HD ARG 3 -12.695 15.023 6.075 26 HD3 ARG 3 1HD ARG 3 -14.116 14.093 6.546 27 HE ARG 3 HE ARG 3 -14.444 15.549 8.276 28 HH11 ARG 3 1HH1 ARG 3 -11.173 15.915 7.116 29 HH12 ARG 3 2HH1 ARG 3 -10.843 17.294 8.112 30 HH21 ARG 3 1HH2 ARG 3 -14.010 17.361 9.588 31 HH22 ARG 3 2HH2 ARG 3 -12.451 18.113 9.515 32 H TRP 4 H TRP 4 -8.998 10.013 7.042 33 HA TRP 4 HA TRP 4 -9.135 8.893 4.355 34 HB2 TRP 4 2HB TRP 4 -7.258 8.776 6.572 35 HB3 TRP 4 1HB TRP 4 -7.605 7.174 5.928 36 HD1 TRP 4 HD TRP 4 -7.422 10.320 3.738 37 HE1 TRP 4 1HE TRP 4 -5.475 10.052 2.077 38 HE3 TRP 4 3HE TRP 4 -5.460 5.992 5.534 39 HZ2 TRP 4 2HZ TRP 4 -3.374 8.220 1.600 40 HZ3 TRP 4 3HZ TRP 4 -3.480 5.030 4.428 41 HH2 TRP 4 HH TRP 4 -2.458 6.125 2.496 42 H VAL 5 H VAL 5 -9.227 6.397 4.317 43 HA VAL 5 HA VAL 5 -11.399 5.480 6.087 44 HB VAL 5 HB VAL 5 -11.062 4.768 3.167 45 HG11 VAL 5 1HG1 VAL 5 -13.400 4.214 4.980 46 HG12 VAL 5 2HG1 VAL 5 -12.116 3.050 4.659 47 HG13 VAL 5 3HG1 VAL 5 -13.140 3.621 3.341 48 HG21 VAL 5 3HG2 VAL 5 -11.923 7.167 4.065 49 HG22 VAL 5 1HG2 VAL 5 -13.440 6.265 4.044 50 HG23 VAL 5 2HG2 VAL 5 -12.480 6.413 2.571 51 HA PRO 6 HA PRO 6 -8.622 2.088 6.851 52 HB2 PRO 6 2HB PRO 6 -10.252 0.470 8.230 53 HB3 PRO 6 1HB PRO 6 -9.692 2.010 8.897 54 HG2 PRO 6 2HG PRO 6 -12.319 1.331 7.637 55 HG3 PRO 6 1HG PRO 6 -11.988 2.313 9.075 56 HD2 PRO 6 2HD PRO 6 -12.500 3.351 6.585 57 HD3 PRO 6 1HD PRO 6 -11.573 4.191 7.840 58 H THR 7 H THR 7 -10.412 2.115 4.321 59 HA THR 7 HA THR 7 -11.150 0.692 2.698 60 HB THR 7 HB THR 7 -8.800 0.550 2.303 61 HG1 THR 7 1HG THR 7 -8.842 -1.265 1.191 62 HG21 THR 7 3HG2 THR 7 -7.915 0.044 4.462 63 HG22 THR 7 1HG2 THR 7 -7.399 -1.206 3.332 64 HG23 THR 7 2HG2 THR 7 -8.706 -1.531 4.468 65 H LYS 8 H LYS 8 -13.007 0.118 4.139 66 HA LYS 8 HA LYS 8 -12.880 -2.670 5.059 67 HB2 LYS 8 2HB LYS 8 -14.619 -0.337 5.786 68 HB3 LYS 8 1HB LYS 8 -15.197 -1.976 6.058 69 HG2 LYS 8 2HG LYS 8 -12.490 -1.335 7.059 70 HG3 LYS 8 1HG LYS 8 -13.857 -0.588 7.891 71 HD2 LYS 8 2HD LYS 8 -13.738 -2.534 9.072 72 HD3 LYS 8 1HD LYS 8 -14.795 -3.070 7.764 73 HE2 LYS 8 2HE LYS 8 -13.022 -4.689 8.172 74 HE3 LYS 8 1HE LYS 8 -12.864 -3.972 6.570 75 HZ1 LYS 8 3HZ LYS 8 -10.807 -3.400 7.097 76 HZ2 LYS 8 1HZ LYS 8 -10.988 -4.012 8.664 77 HZ3 LYS 8 2HZ LYS 8 -11.387 -2.402 8.333 78 H ARG 9 H ARG 9 -13.022 -3.515 2.918 79 HA ARG 9 HA ARG 9 -15.645 -4.164 2.114 80 HB2 ARG 9 2HB ARG 9 -14.523 -1.755 0.958 81 HB3 ARG 9 1HB ARG 9 -14.850 -2.954 -0.284 82 HG2 ARG 9 2HG ARG 9 -17.148 -3.051 0.289 83 HG3 ARG 9 1HG ARG 9 -16.886 -2.118 1.764 84 HD2 ARG 9 2HD ARG 9 -17.090 -0.189 0.670 85 HD3 ARG 9 1HD ARG 9 -15.929 -0.692 -0.558 86 HE ARG 9 HE ARG 9 -17.671 -1.276 -1.933 87 HH11 ARG 9 1HH1 ARG 9 -18.889 -0.728 1.293 88 HH12 ARG 9 2HH1 ARG 9 -20.550 -0.785 0.809 89 HH21 ARG 9 1HH2 ARG 9 -19.856 -1.351 -2.569 90 HH22 ARG 9 2HH2 ARG 9 -21.100 -1.137 -1.382 91 H GLU 10 H GLU 10 -12.328 -3.725 0.928 92 HA GLU 10 HA GLU 10 -12.485 -6.082 -0.734 93 HB2 GLU 10 2HB GLU 10 -11.114 -3.912 -1.152 94 HB3 GLU 10 1HB GLU 10 -9.938 -4.640 -0.065 95 HG2 GLU 10 2HG GLU 10 -9.263 -6.141 -1.588 96 HG3 GLU 10 1HG GLU 10 -10.891 -6.395 -2.215 97 H GLU 11 H GLU 11 -10.769 -5.110 2.218 98 HA GLU 11 HA GLU 11 -9.567 -6.309 3.749 99 HB2 GLU 11 2HB GLU 11 -10.789 -8.141 4.754 100 HB3 GLU 11 1HB GLU 11 -11.904 -6.850 4.338 101 HG2 GLU 11 2HG GLU 11 -12.834 -8.050 2.580 102 HG3 GLU 11 1HG GLU 11 -11.462 -9.152 2.481 103 H LYS 12 H LYS 12 -8.525 -6.648 1.188 104 HA LYS 12 HA LYS 12 -7.309 -9.283 1.485 105 HB2 LYS 12 2HB LYS 12 -8.636 -8.304 -1.047 106 HB3 LYS 12 1HB LYS 12 -7.506 -9.651 -1.000 107 HG2 LYS 12 2HG LYS 12 -8.972 -10.985 0.245 108 HG3 LYS 12 1HG LYS 12 -9.980 -9.606 0.693 109 HD2 LYS 12 2HD LYS 12 -10.942 -9.469 -1.427 110 HD3 LYS 12 1HD LYS 12 -9.646 -10.404 -2.177 111 HE2 LYS 12 2HE LYS 12 -11.299 -11.711 -0.078 112 HE3 LYS 12 1HE LYS 12 -12.018 -11.463 -1.669 113 HZ1 LYS 12 3HZ LYS 12 -10.951 -13.625 -1.497 114 HZ2 LYS 12 1HZ LYS 12 -9.468 -12.893 -1.133 115 HZ3 LYS 12 2HZ LYS 12 -10.173 -12.668 -2.654 116 H TYR 13 H TYR 13 -5.252 -9.474 0.510 117 HA TYR 13 HA TYR 13 -3.923 -6.899 0.136 118 HB2 TYR 13 2HB TYR 13 -1.832 -8.413 0.185 119 HB3 TYR 13 1HB TYR 13 -2.731 -8.191 1.682 120 HD1 TYR 13 2HD TYR 13 -2.949 -10.478 -1.278 121 HD2 TYR 13 1HD TYR 13 -2.890 -10.094 2.959 122 HE1 TYR 13 2HE TYR 13 -3.175 -12.918 -1.058 123 HE2 TYR 13 1HE TYR 13 -3.115 -12.531 3.190 124 HH TYR 13 HH TYR 13 -2.632 -14.671 0.649 125 H GLY 14 H GLY 14 -1.903 -7.213 -1.465 126 HA2 GLY 14 2HA GLY 14 -2.533 -8.735 -3.833 127 HA3 GLY 14 1HA GLY 14 -2.784 -7.006 -4.025 128 H VAL 15 H VAL 15 -1.063 -7.872 -5.726 129 HA VAL 15 HA VAL 15 1.634 -7.765 -4.609 130 HB VAL 15 HB VAL 15 0.845 -8.161 -7.496 131 HG11 VAL 15 1HG1 VAL 15 3.103 -9.207 -7.623 132 HG12 VAL 15 2HG1 VAL 15 3.400 -8.653 -5.974 133 HG13 VAL 15 3HG1 VAL 15 3.131 -7.480 -7.264 134 HG21 VAL 15 3HG2 VAL 15 0.835 -10.022 -5.211 135 HG22 VAL 15 1HG2 VAL 15 1.619 -10.612 -6.677 136 HG23 VAL 15 2HG2 VAL 15 -0.062 -10.079 -6.728 137 H ALA 16 H ALA 16 3.225 -6.300 -5.454 138 HA ALA 16 HA ALA 16 2.103 -3.886 -6.709 139 HB1 ALA 16 1HB ALA 16 2.344 -3.464 -4.322 140 HB2 ALA 16 2HB ALA 16 3.489 -2.494 -5.247 141 HB3 ALA 16 3HB ALA 16 4.041 -3.938 -4.398 142 H PHE 17 H PHE 17 3.029 -3.780 -8.663 143 HA PHE 17 HA PHE 17 5.814 -4.626 -8.969 144 HB2 PHE 17 2HB PHE 17 5.270 -4.243 -11.456 145 HB3 PHE 17 1HB PHE 17 4.503 -5.607 -10.651 146 HD1 PHE 17 2HD PHE 17 2.121 -5.577 -10.153 147 HD2 PHE 17 1HD PHE 17 3.997 -2.346 -12.192 148 HE1 PHE 17 2HE PHE 17 -0.084 -4.741 -10.851 149 HE2 PHE 17 1HE PHE 17 1.795 -1.505 -12.894 150 HZ PHE 17 HZ PHE 17 -0.250 -2.703 -12.225 151 H TYR 18 H TYR 18 6.942 -2.912 -8.099 152 HA TYR 18 HA TYR 18 7.289 -0.661 -9.835 153 HB2 TYR 18 2HB TYR 18 5.281 -0.097 -8.325 154 HB3 TYR 18 1HB TYR 18 6.459 0.024 -7.022 155 HD1 TYR 18 2HD TYR 18 5.378 1.478 -10.237 156 HD2 TYR 18 1HD TYR 18 7.922 1.898 -6.854 157 HE1 TYR 18 2HE TYR 18 5.902 3.789 -10.912 158 HE2 TYR 18 1HE TYR 18 8.442 4.207 -7.515 159 HH TYR 18 HH TYR 18 7.521 5.990 -8.850 160 H ASN 19 H ASN 19 9.026 0.805 -9.041 161 HA ASN 19 HA ASN 19 10.970 -0.719 -7.439 162 HB2 ASN 19 2HB ASN 19 11.495 1.438 -9.500 163 HB3 ASN 19 1HB ASN 19 12.718 0.516 -8.631 164 HD21 ASN 19 1HD2 ASN 19 12.577 -1.875 -8.908 165 HD22 ASN 19 2HD2 ASN 19 12.186 -2.468 -10.482 166 H TYR 20 H TYR 20 9.238 0.538 -5.898 167 HA TYR 20 HA TYR 20 9.964 3.252 -5.316 168 HB2 TYR 20 2HB TYR 20 7.692 2.026 -4.927 169 HB3 TYR 20 1HB TYR 20 8.436 1.497 -3.424 170 HD1 TYR 20 2HD TYR 20 9.542 3.447 -2.011 171 HD2 TYR 20 1HD TYR 20 6.478 3.992 -4.915 172 HE1 TYR 20 2HE TYR 20 8.917 5.571 -0.943 173 HE2 TYR 20 1HE TYR 20 5.844 6.118 -3.852 174 HH TYR 20 HH TYR 20 6.062 7.138 -1.498 175 H ASP 21 H ASP 21 11.193 4.042 -3.668 176 HA ASP 21 HA ASP 21 12.548 2.104 -1.924 177 HB2 ASP 21 2HB ASP 21 14.070 2.716 -3.773 178 HB3 ASP 21 1HB ASP 21 13.893 4.415 -3.345 179 H ALA 22 H ALA 22 11.451 2.635 -0.090 180 HA ALA 22 HA ALA 22 10.634 5.173 0.712 181 HB1 ALA 22 1HB ALA 22 9.634 3.484 1.909 182 HB2 ALA 22 2HB ALA 22 10.813 4.078 3.078 183 HB3 ALA 22 3HB ALA 22 11.148 2.614 2.156 184 H ARG 23 H ARG 23 11.673 6.901 1.444 185 HA ARG 23 HA ARG 23 14.515 6.648 2.116 186 HB2 ARG 23 2HB ARG 23 12.796 8.855 1.078 187 HB3 ARG 23 1HB ARG 23 14.218 9.282 2.022 188 HG2 ARG 23 2HG ARG 23 15.512 8.991 0.254 189 HG3 ARG 23 1HG ARG 23 14.961 7.323 0.093 190 HD2 ARG 23 2HD ARG 23 12.839 8.583 -0.944 191 HD3 ARG 23 1HD ARG 23 14.087 9.767 -1.332 192 HE ARG 23 HE ARG 23 14.949 7.188 -2.080 193 HH11 ARG 23 1HH1 ARG 23 12.687 9.671 -3.029 194 HH12 ARG 23 2HH1 ARG 23 12.691 9.212 -4.699 195 HH21 ARG 23 1HH2 ARG 23 14.956 6.583 -4.275 196 HH22 ARG 23 2HH2 ARG 23 13.980 7.459 -5.407 197 H GLY 24 H GLY 24 12.352 5.904 3.962 198 HA2 GLY 24 2HA GLY 24 13.370 6.826 6.353 199 HA3 GLY 24 1HA GLY 24 12.083 7.948 5.936 200 H ALA 25 H ALA 25 11.920 6.488 8.240 201 HA ALA 25 HA ALA 25 10.598 4.022 8.040 202 HB1 ALA 25 1HB ALA 25 9.665 4.808 10.364 203 HB2 ALA 25 2HB ALA 25 10.845 6.102 10.159 204 HB3 ALA 25 3HB ALA 25 11.373 4.419 10.161 205 H ASP 26 H ASP 26 9.452 7.296 7.714 206 HA ASP 26 HA ASP 26 6.722 6.922 8.159 207 HB2 ASP 26 2HB ASP 26 8.399 8.917 6.776 208 HB3 ASP 26 1HB ASP 26 6.731 8.830 6.217 209 H GLU 27 H GLU 27 8.601 6.614 5.162 210 HA GLU 27 HA GLU 27 6.246 5.503 3.821 211 HB2 GLU 27 2HB GLU 27 8.682 6.905 2.943 212 HB3 GLU 27 1HB GLU 27 8.194 5.569 1.910 213 HG2 GLU 27 2HG GLU 27 7.170 7.471 1.009 214 HG3 GLU 27 1HG GLU 27 5.894 6.614 1.869 215 H LEU 28 H LEU 28 6.456 3.548 2.554 216 HA LEU 28 HA LEU 28 8.429 1.683 3.701 217 HB2 LEU 28 2HB LEU 28 6.161 1.143 4.372 218 HB3 LEU 28 1HB LEU 28 5.634 1.153 2.701 219 HG LEU 28 HG LEU 28 7.815 -0.726 3.326 220 HD11 LEU 28 1HD1 LEU 28 6.440 -0.929 5.341 221 HD12 LEU 28 2HD1 LEU 28 6.343 -2.374 4.334 222 HD13 LEU 28 3HD1 LEU 28 5.018 -1.210 4.336 223 HD21 LEU 28 3HD2 LEU 28 6.536 -0.414 1.133 224 HD22 LEU 28 1HD2 LEU 28 5.210 -1.254 1.939 225 HD23 LEU 28 2HD2 LEU 28 6.762 -2.062 1.721 226 H SER 29 H SER 29 9.707 0.549 2.363 227 HA SER 29 HA SER 29 9.977 1.328 -0.336 228 HB2 SER 29 2HB SER 29 11.910 0.546 0.875 229 HB3 SER 29 1HB SER 29 11.144 -1.010 1.187 230 HG SER 29 HG SER 29 11.331 -1.526 -0.956 231 H LEU 30 H LEU 30 9.478 0.292 -2.243 232 HA LEU 30 HA LEU 30 7.732 -2.070 -2.043 233 HB2 LEU 30 2HB LEU 30 6.674 0.296 -2.547 234 HB3 LEU 30 1HB LEU 30 7.258 -0.029 -4.168 235 HG LEU 30 HG LEU 30 5.958 -2.178 -4.120 236 HD11 LEU 30 1HD1 LEU 30 4.249 -1.160 -1.951 237 HD12 LEU 30 2HD1 LEU 30 5.810 -1.814 -1.455 238 HD13 LEU 30 3HD1 LEU 30 4.687 -2.814 -2.376 239 HD21 LEU 30 3HD2 LEU 30 3.676 -0.820 -4.078 240 HD22 LEU 30 1HD2 LEU 30 4.849 -0.649 -5.384 241 HD23 LEU 30 2HD2 LEU 30 4.791 0.547 -4.088 242 H GLN 31 H GLN 31 8.370 -3.718 -3.264 243 HA GLN 31 HA GLN 31 10.156 -3.160 -5.543 244 HB2 GLN 31 2HB GLN 31 10.223 -5.674 -3.876 245 HB3 GLN 31 1HB GLN 31 11.400 -5.138 -5.070 246 HG2 GLN 31 2HG GLN 31 11.260 -3.090 -3.172 247 HG3 GLN 31 1HG GLN 31 11.273 -4.596 -2.256 248 HE21 GLN 31 1HE2 GLN 31 12.969 -2.764 -4.736 249 HE22 GLN 31 2HE2 GLN 31 14.523 -3.462 -4.451 250 H ILE 32 H ILE 32 10.003 -4.566 -7.350 251 HA ILE 32 HA ILE 32 7.346 -5.304 -8.006 252 HB ILE 32 HB ILE 32 9.874 -6.089 -9.457 253 HG12 ILE 32 2HG1 ILE 32 8.128 -3.734 -10.134 254 HG13 ILE 32 1HG1 ILE 32 9.448 -3.580 -8.978 255 HG21 ILE 32 1HG2 ILE 32 8.599 -6.875 -11.129 256 HG22 ILE 32 2HG2 ILE 32 7.405 -5.590 -10.957 257 HG23 ILE 32 3HG2 ILE 32 7.349 -6.993 -9.892 258 HD11 ILE 32 3HD1 ILE 32 9.598 -4.246 -11.897 259 HD12 ILE 32 1HD1 ILE 32 10.951 -4.501 -10.795 260 HD13 ILE 32 2HD1 ILE 32 10.309 -2.877 -11.041 261 H GLY 33 H GLY 33 6.303 -7.202 -7.878 262 HA2 GLY 33 2HA GLY 33 6.082 -9.541 -7.808 263 HA3 GLY 33 1HA GLY 33 7.804 -9.673 -7.489 264 H ASP 34 H ASP 34 6.761 -7.341 -5.440 265 HA ASP 34 HA ASP 34 6.594 -9.247 -3.232 266 HB2 ASP 34 2HB ASP 34 7.178 -6.300 -3.407 267 HB3 ASP 34 1HB ASP 34 6.775 -7.056 -1.868 268 H THR 35 H THR 35 4.915 -9.286 -1.752 269 HA THR 35 HA THR 35 2.394 -8.183 -2.734 270 HB THR 35 HB THR 35 2.736 -10.062 -0.401 271 HG1 THR 35 1HG THR 35 3.742 -10.959 -2.257 272 HG21 THR 35 3HG2 THR 35 0.512 -9.086 -0.690 273 HG22 THR 35 1HG2 THR 35 0.519 -10.826 -0.978 274 HG23 THR 35 2HG2 THR 35 0.464 -9.708 -2.340 275 H VAL 36 H VAL 36 0.955 -7.031 -1.350 276 HA VAL 36 HA VAL 36 2.118 -5.959 1.114 277 HB VAL 36 HB VAL 36 1.349 -3.667 0.480 278 HG11 VAL 36 1HG1 VAL 36 3.266 -3.971 -1.611 279 HG12 VAL 36 2HG1 VAL 36 3.691 -5.048 -0.282 280 HG13 VAL 36 3HG1 VAL 36 3.490 -3.322 0.013 281 HG21 VAL 36 3HG2 VAL 36 0.396 -3.173 -1.496 282 HG22 VAL 36 1HG2 VAL 36 0.015 -4.895 -1.542 283 HG23 VAL 36 2HG2 VAL 36 1.435 -4.283 -2.389 284 H HIS 37 H HIS 37 0.685 -5.597 2.713 285 HA HIS 37 HA HIS 37 -2.113 -6.274 2.171 286 HB2 HIS 37 2HB HIS 37 -0.980 -7.577 3.921 287 HB3 HIS 37 1HB HIS 37 -0.617 -6.094 4.798 288 HD1 HIS 37 1HD HIS 37 -3.990 -6.278 3.313 289 HD2 HIS 37 2HD HIS 37 -2.174 -7.183 6.937 290 HE1 HIS 37 1HE HIS 37 -5.873 -6.574 4.952 291 HE2 HIS 37 2HE HIS 37 -4.746 -7.023 7.158 292 H ILE 38 H ILE 38 -3.333 -4.562 1.720 293 HA ILE 38 HA ILE 38 -2.698 -1.927 2.666 294 HB ILE 38 HB ILE 38 -5.229 -2.810 1.283 295 HG12 ILE 38 2HG1 ILE 38 -3.222 -1.491 -0.374 296 HG13 ILE 38 1HG1 ILE 38 -2.651 -3.029 0.268 297 HG21 ILE 38 1HG2 ILE 38 -3.925 -0.161 1.789 298 HG22 ILE 38 2HG2 ILE 38 -5.587 -0.663 2.104 299 HG23 ILE 38 3HG2 ILE 38 -5.047 -0.385 0.448 300 HD11 ILE 38 3HD1 ILE 38 -5.047 -2.517 -1.463 301 HD12 ILE 38 1HD1 ILE 38 -4.791 -4.038 -0.607 302 HD13 ILE 38 2HD1 ILE 38 -3.626 -3.500 -1.817 303 H LEU 39 H LEU 39 -3.389 -0.959 4.450 304 HA LEU 39 HA LEU 39 -5.561 -2.227 5.977 305 HB2 LEU 39 2HB LEU 39 -4.602 -1.318 7.966 306 HB3 LEU 39 1HB LEU 39 -3.328 -2.123 7.069 307 HG LEU 39 HG LEU 39 -2.928 0.337 6.138 308 HD11 LEU 39 1HD1 LEU 39 -4.401 0.694 8.721 309 HD12 LEU 39 2HD1 LEU 39 -4.606 1.553 7.196 310 HD13 LEU 39 3HD1 LEU 39 -3.187 1.859 8.196 311 HD21 LEU 39 3HD2 LEU 39 -1.553 -1.330 7.692 312 HD22 LEU 39 1HD2 LEU 39 -1.903 -0.080 8.887 313 HD23 LEU 39 2HD2 LEU 39 -1.042 0.334 7.405 314 H GLU 40 H GLU 40 -4.532 0.657 4.386 315 HA GLU 40 HA GLU 40 -7.088 1.922 5.067 316 HB2 GLU 40 2HB GLU 40 -4.412 2.897 5.718 317 HB3 GLU 40 1HB GLU 40 -5.351 4.064 4.799 318 HG2 GLU 40 2HG GLU 40 -6.995 4.219 6.442 319 HG3 GLU 40 1HG GLU 40 -6.492 2.717 7.216 320 H THR 41 H THR 41 -7.731 3.598 3.510 321 HA THR 41 HA THR 41 -6.330 3.586 0.961 322 HB THR 41 HB THR 41 -7.852 1.655 0.824 323 HG1 THR 41 1HG THR 41 -8.894 2.322 -1.090 324 HG21 THR 41 3HG2 THR 41 -9.615 2.969 2.326 325 HG22 THR 41 1HG2 THR 41 -10.069 1.674 1.217 326 HG23 THR 41 2HG2 THR 41 -10.254 3.359 0.730 327 H TYR 42 H TYR 42 -7.143 5.210 -0.539 328 HA TYR 42 HA TYR 42 -9.115 7.098 0.290 329 HB2 TYR 42 2HB TYR 42 -7.230 7.726 1.783 330 HB3 TYR 42 1HB TYR 42 -6.236 8.022 0.361 331 HD1 TYR 42 1HD TYR 42 -9.630 9.002 1.607 332 HD2 TYR 42 2HD TYR 42 -5.999 10.231 -0.241 333 HE1 TYR 42 1HE TYR 42 -10.466 11.312 1.515 334 HE2 TYR 42 2HE TYR 42 -6.825 12.545 -0.337 335 HH TYR 42 HH TYR 42 -9.931 13.404 -0.040 336 H GLU 43 H GLU 43 -8.398 5.492 -2.044 337 HA GLU 43 HA GLU 43 -8.415 5.657 -4.309 338 HB2 GLU 43 2HB GLU 43 -9.477 8.295 -3.433 339 HB3 GLU 43 1HB GLU 43 -9.002 8.130 -5.119 340 HG2 GLU 43 2HG GLU 43 -10.490 6.140 -5.271 341 HG3 GLU 43 1HG GLU 43 -11.050 6.499 -3.637 342 H GLY 44 H GLY 44 -6.339 5.288 -4.888 343 HA2 GLY 44 2HA GLY 44 -4.311 5.787 -5.864 344 HA3 GLY 44 1HA GLY 44 -4.818 7.469 -5.928 345 H TRP 45 H TRP 45 -4.714 5.612 -2.971 346 HA TRP 45 HA TRP 45 -2.145 6.263 -2.102 347 HB2 TRP 45 2HB TRP 45 -3.575 8.544 -2.235 348 HB3 TRP 45 1HB TRP 45 -4.008 8.022 -0.618 349 HD1 TRP 45 HD TRP 45 -2.748 10.302 0.165 350 HE1 TRP 45 1HE TRP 45 -0.278 10.742 0.705 351 HE3 TRP 45 3HE TRP 45 -0.631 6.248 -2.176 352 HZ2 TRP 45 2HZ TRP 45 2.221 9.557 0.217 353 HZ3 TRP 45 3HZ TRP 45 1.807 5.994 -2.084 354 HH2 TRP 45 HH TRP 45 3.204 7.613 -0.913 355 H TYR 46 H TYR 46 -2.195 4.225 -1.219 356 HA TYR 46 HA TYR 46 -4.075 3.839 1.020 357 HB2 TYR 46 2HB TYR 46 -2.811 1.555 -0.470 358 HB3 TYR 46 1HB TYR 46 -4.262 1.554 0.524 359 HD1 TYR 46 1HD TYR 46 -5.551 4.026 -0.744 360 HD2 TYR 46 2HD TYR 46 -3.720 0.572 -2.424 361 HE1 TYR 46 1HE TYR 46 -6.934 4.281 -2.760 362 HE2 TYR 46 2HE TYR 46 -5.096 0.820 -4.447 363 HH TYR 46 HH TYR 46 -7.285 1.867 -5.066 364 H ARG 47 H ARG 47 -3.307 2.561 2.805 365 HA ARG 47 HA ARG 47 -0.377 2.644 3.116 366 HB2 ARG 47 2HB ARG 47 -1.634 4.361 4.458 367 HB3 ARG 47 1HB ARG 47 -2.406 3.038 5.320 368 HG2 ARG 47 2HG ARG 47 -0.411 2.383 6.342 369 HG3 ARG 47 1HG ARG 47 0.576 3.293 5.197 370 HD2 ARG 47 2HD ARG 47 0.430 5.165 6.405 371 HD3 ARG 47 1HD ARG 47 -1.308 4.978 6.631 372 HE ARG 47 HE ARG 47 0.264 3.200 8.251 373 HH11 ARG 47 1HH1 ARG 47 -1.132 6.392 8.038 374 HH12 ARG 47 2HH1 ARG 47 -1.173 6.624 9.753 375 HH21 ARG 47 1HH2 ARG 47 0.211 3.504 10.507 376 HH22 ARG 47 2HH2 ARG 47 -0.408 4.986 11.155 377 H GLY 48 H GLY 48 0.574 0.989 4.398 378 HA2 GLY 48 2HA GLY 48 -0.739 -1.061 5.723 379 HA3 GLY 48 1HA GLY 48 -0.628 -1.564 4.043 380 H TYR 49 H TYR 49 0.738 -3.292 4.537 381 HA TYR 49 HA TYR 49 3.530 -2.553 4.736 382 HB2 TYR 49 2HB TYR 49 3.874 -4.298 6.583 383 HB3 TYR 49 1HB TYR 49 3.192 -2.746 7.059 384 HD1 TYR 49 1HD TYR 49 0.773 -2.570 7.587 385 HD2 TYR 49 2HD TYR 49 2.629 -6.319 6.812 386 HE1 TYR 49 1HE TYR 49 -1.141 -3.723 8.612 387 HE2 TYR 49 2HE TYR 49 0.719 -7.482 7.833 388 HH TYR 49 HH TYR 49 -1.077 -6.992 9.465 389 H THR 50 H THR 50 4.953 -4.187 4.040 390 HA THR 50 HA THR 50 3.803 -6.002 2.150 391 HB THR 50 HB THR 50 6.392 -6.745 2.199 392 HG1 THR 50 1HG THR 50 6.687 -5.238 4.013 393 HG21 THR 50 3HG2 THR 50 6.856 -4.796 0.639 394 HG22 THR 50 1HG2 THR 50 5.179 -4.326 0.913 395 HG23 THR 50 2HG2 THR 50 5.548 -5.893 0.195 396 H LEU 51 H LEU 51 4.257 -8.311 2.083 397 HA LEU 51 HA LEU 51 3.540 -9.600 4.495 398 HB2 LEU 51 2HB LEU 51 4.360 -10.521 1.772 399 HB3 LEU 51 1HB LEU 51 4.264 -11.687 3.079 400 HG LEU 51 HG LEU 51 2.211 -11.671 1.767 401 HD11 LEU 51 1HD1 LEU 51 1.229 -10.384 4.215 402 HD12 LEU 51 2HD1 LEU 51 2.390 -11.689 4.467 403 HD13 LEU 51 3HD1 LEU 51 0.905 -11.990 3.564 404 HD21 LEU 51 3HD2 LEU 51 2.564 -9.089 1.335 405 HD22 LEU 51 1HD2 LEU 51 1.492 -8.955 2.729 406 HD23 LEU 51 2HD2 LEU 51 0.960 -9.823 1.289 407 H ARG 52 H ARG 52 6.598 -8.960 2.943 408 HA ARG 52 HA ARG 52 8.149 -10.826 4.417 409 HB2 ARG 52 2HB ARG 52 8.802 -8.367 2.817 410 HB3 ARG 52 1HB ARG 52 10.049 -9.207 3.727 411 HG2 ARG 52 2HG ARG 52 9.489 -11.280 2.484 412 HG3 ARG 52 1HG ARG 52 8.366 -10.335 1.503 413 HD2 ARG 52 2HD ARG 52 10.416 -10.517 0.293 414 HD3 ARG 52 1HD ARG 52 10.277 -8.857 0.875 415 HE ARG 52 HE ARG 52 11.771 -10.584 2.625 416 HH11 ARG 52 1HH1 ARG 52 11.941 -8.481 -0.155 417 HH12 ARG 52 2HH1 ARG 52 13.629 -8.150 0.044 418 HH21 ARG 52 1HH2 ARG 52 13.992 -10.150 2.886 419 HH22 ARG 52 2HH2 ARG 52 14.794 -9.097 1.768 420 H LYS 53 H LYS 53 7.805 -7.290 4.735 421 HA LYS 53 HA LYS 53 8.677 -7.556 7.537 422 HB2 LYS 53 2HB LYS 53 9.232 -5.088 7.322 423 HB3 LYS 53 1HB LYS 53 10.253 -6.193 6.413 424 HG2 LYS 53 2HG LYS 53 8.928 -5.696 4.389 425 HG3 LYS 53 1HG LYS 53 8.001 -4.520 5.321 426 HD2 LYS 53 2HD LYS 53 9.658 -2.994 5.279 427 HD3 LYS 53 1HD LYS 53 10.919 -4.211 5.484 428 HE2 LYS 53 2HE LYS 53 10.070 -4.795 2.989 429 HE3 LYS 53 1HE LYS 53 9.771 -3.058 3.028 430 HZ1 LYS 53 3HZ LYS 53 12.082 -4.019 2.310 431 HZ2 LYS 53 1HZ LYS 53 12.361 -4.042 3.980 432 HZ3 LYS 53 2HZ LYS 53 11.978 -2.587 3.205 433 H LYS 54 H LYS 54 6.681 -7.910 8.470 434 HA LYS 54 HA LYS 54 4.372 -6.361 7.875 435 HB2 LYS 54 2HB LYS 54 4.917 -7.944 10.389 436 HB3 LYS 54 1HB LYS 54 3.347 -7.473 9.751 437 HG2 LYS 54 2HG LYS 54 4.171 -8.855 7.661 438 HG3 LYS 54 1HG LYS 54 5.185 -9.633 8.877 439 HD2 LYS 54 2HD LYS 54 3.416 -10.595 9.935 440 HD3 LYS 54 1HD LYS 54 2.323 -9.267 9.544 441 HE2 LYS 54 2HE LYS 54 3.327 -11.260 7.521 442 HE3 LYS 54 1HE LYS 54 1.810 -11.440 8.400 443 HZ1 LYS 54 3HZ LYS 54 2.023 -10.222 6.041 444 HZ2 LYS 54 1HZ LYS 54 2.192 -8.889 7.073 445 HZ3 LYS 54 2HZ LYS 54 0.814 -9.864 7.169 446 H SER 55 H SER 55 6.984 -6.073 10.186 447 HA SER 55 HA SER 55 5.811 -4.173 11.900 448 HB2 SER 55 2HB SER 55 8.687 -4.808 11.238 449 HB3 SER 55 1HB SER 55 8.238 -3.585 12.428 450 HG SER 55 HG SER 55 7.290 -6.251 12.534 451 H LYS 56 H LYS 56 7.584 -3.861 8.876 452 HA LYS 56 HA LYS 56 7.793 -1.014 8.988 453 HB2 LYS 56 2HB LYS 56 8.994 -2.951 7.491 454 HB3 LYS 56 1HB LYS 56 7.851 -2.289 6.331 455 HG2 LYS 56 2HG LYS 56 9.517 -0.851 5.903 456 HG3 LYS 56 1HG LYS 56 8.893 -0.012 7.324 457 HD2 LYS 56 2HD LYS 56 10.847 -2.176 7.817 458 HD3 LYS 56 1HD LYS 56 11.466 -0.714 7.044 459 HE2 LYS 56 2HE LYS 56 11.733 -0.168 9.255 460 HE3 LYS 56 1HE LYS 56 10.123 0.484 8.951 461 HZ1 LYS 56 3HZ LYS 56 9.627 -0.699 10.781 462 HZ2 LYS 56 1HZ LYS 56 10.931 -1.764 10.600 463 HZ3 LYS 56 2HZ LYS 56 9.519 -1.995 9.698 464 H LYS 57 H LYS 57 6.283 0.448 8.558 465 HA LYS 57 HA LYS 57 3.937 -0.380 6.978 466 HB2 LYS 57 2HB LYS 57 4.155 1.092 9.544 467 HB3 LYS 57 1HB LYS 57 2.941 1.668 8.410 468 HG2 LYS 57 2HG LYS 57 2.014 -0.631 8.316 469 HG3 LYS 57 1HG LYS 57 3.161 -1.100 9.572 470 HD2 LYS 57 2HD LYS 57 2.177 0.446 11.126 471 HD3 LYS 57 1HD LYS 57 1.138 1.117 9.868 472 HE2 LYS 57 2HE LYS 57 0.186 -1.234 9.632 473 HE3 LYS 57 1HE LYS 57 1.007 -1.599 11.149 474 HZ1 LYS 57 3HZ LYS 57 -1.148 0.383 10.687 475 HZ2 LYS 57 1HZ LYS 57 -0.224 0.348 12.104 476 HZ3 LYS 57 2HZ LYS 57 -1.188 -0.978 11.691 477 H GLY 58 H GLY 58 3.216 0.969 5.385 478 HA2 GLY 58 2HA GLY 58 4.131 3.681 5.147 479 HA3 GLY 58 1HA GLY 58 4.920 2.603 4.011 480 H ILE 59 H ILE 59 3.730 4.367 2.670 481 HA ILE 59 HA ILE 59 1.103 3.260 1.916 482 HB ILE 59 HB ILE 59 0.663 5.651 1.033 483 HG12 ILE 59 2HG1 ILE 59 2.833 6.182 3.077 484 HG13 ILE 59 1HG1 ILE 59 2.903 6.551 1.358 485 HG21 ILE 59 1HG2 ILE 59 -0.131 6.354 3.331 486 HG22 ILE 59 2HG2 ILE 59 0.625 4.879 3.939 487 HG23 ILE 59 3HG2 ILE 59 -0.686 4.779 2.762 488 HD11 ILE 59 3HD1 ILE 59 0.776 7.981 1.901 489 HD12 ILE 59 1HD1 ILE 59 2.397 8.600 2.219 490 HD13 ILE 59 2HD1 ILE 59 1.434 7.934 3.538 491 H PHE 60 H PHE 60 0.547 3.418 -0.335 492 HA PHE 60 HA PHE 60 2.687 4.086 -2.191 493 HB2 PHE 60 2HB PHE 60 2.386 1.866 -3.363 494 HB3 PHE 60 1HB PHE 60 3.220 1.795 -1.813 495 HD1 PHE 60 1HD PHE 60 -0.227 1.521 -3.211 496 HD2 PHE 60 2HD PHE 60 2.585 0.182 -0.310 497 HE1 PHE 60 1HE PHE 60 -1.844 -0.157 -2.425 498 HE2 PHE 60 2HE PHE 60 0.972 -1.499 0.480 499 HZ PHE 60 HZ PHE 60 -1.244 -1.672 -0.577 500 HA PRO 61 HA PRO 61 -0.669 5.369 -4.745 501 HB2 PRO 61 2HB PRO 61 0.347 5.062 -7.227 502 HB3 PRO 61 1HB PRO 61 0.932 6.303 -6.114 503 HG2 PRO 61 2HG PRO 61 2.107 3.623 -6.744 504 HG3 PRO 61 1HG PRO 61 2.924 5.189 -6.580 505 HD2 PRO 61 2HD PRO 61 2.888 3.335 -4.599 506 HD3 PRO 61 1HD PRO 61 2.937 5.080 -4.280 507 H ALA 62 H ALA 62 -2.476 4.567 -5.675 508 HA ALA 62 HA ALA 62 -2.846 1.748 -5.787 509 HB1 ALA 62 1HB ALA 62 -4.790 3.619 -7.048 510 HB2 ALA 62 2HB ALA 62 -4.538 3.689 -5.304 511 HB3 ALA 62 3HB ALA 62 -5.077 2.189 -6.057 512 H SER 63 H SER 63 -1.528 3.899 -8.022 513 HA SER 63 HA SER 63 -2.464 2.494 -10.379 514 HB2 SER 63 2HB SER 63 -0.723 4.891 -9.901 515 HB3 SER 63 1HB SER 63 -0.726 4.101 -11.477 516 HG SER 63 HG SER 63 -2.480 5.833 -10.524 517 H TYR 64 H TYR 64 -0.480 1.461 -8.147 518 HA TYR 64 HA TYR 64 1.190 0.024 -10.055 519 HB2 TYR 64 2HB TYR 64 2.253 1.682 -7.771 520 HB3 TYR 64 1HB TYR 64 3.186 0.387 -8.523 521 HD1 TYR 64 2HD TYR 64 2.795 0.600 -11.305 522 HD2 TYR 64 1HD TYR 64 3.019 3.752 -8.459 523 HE1 TYR 64 2HE TYR 64 3.513 2.139 -13.080 524 HE2 TYR 64 1HE TYR 64 3.734 5.305 -10.224 525 HH TYR 64 HH TYR 64 4.829 5.181 -12.455 526 H ILE 65 H ILE 65 -1.094 -0.704 -8.493 527 HA ILE 65 HA ILE 65 0.113 -2.809 -6.825 528 HB ILE 65 HB ILE 65 -2.513 -1.472 -6.180 529 HG12 ILE 65 2HG1 ILE 65 -0.608 0.116 -5.956 530 HG13 ILE 65 1HG1 ILE 65 -1.382 -0.255 -4.418 531 HG21 ILE 65 1HG2 ILE 65 -2.584 -3.543 -5.182 532 HG22 ILE 65 2HG2 ILE 65 -1.860 -2.568 -3.903 533 HG23 ILE 65 3HG2 ILE 65 -0.842 -3.593 -4.913 534 HD11 ILE 65 3HD1 ILE 65 1.212 -0.195 -4.622 535 HD12 ILE 65 1HD1 ILE 65 1.002 -1.825 -5.262 536 HD13 ILE 65 2HD1 ILE 65 0.422 -1.430 -3.643 537 H HIS 66 H HIS 66 -1.270 -4.723 -6.577 538 HA HIS 66 HA HIS 66 -3.344 -5.036 -8.612 539 HB2 HIS 66 2HB HIS 66 -1.014 -5.787 -9.449 540 HB3 HIS 66 1HB HIS 66 -1.211 -7.139 -8.338 541 HD1 HIS 66 1HD HIS 66 -1.825 -6.226 -11.737 542 HD2 HIS 66 2HD HIS 66 -3.791 -8.573 -8.927 543 HE1 HIS 66 1HE HIS 66 -3.366 -7.710 -13.060 544 HE2 HIS 66 2HE HIS 66 -4.471 -9.188 -11.346 545 H LEU 67 H LEU 67 -5.063 -5.672 -7.495 546 HA LEU 67 HA LEU 67 -4.915 -6.926 -4.954 547 HB2 LEU 67 2HB LEU 67 -7.179 -6.463 -6.883 548 HB3 LEU 67 1HB LEU 67 -7.412 -7.281 -5.349 549 HG LEU 67 HG LEU 67 -8.036 -4.912 -5.232 550 HD11 LEU 67 1HD1 LEU 67 -5.564 -5.533 -3.625 551 HD12 LEU 67 2HD1 LEU 67 -7.197 -6.074 -3.235 552 HD13 LEU 67 3HD1 LEU 67 -6.811 -4.354 -3.220 553 HD21 LEU 67 3HD2 LEU 67 -6.497 -3.151 -5.541 554 HD22 LEU 67 1HD2 LEU 67 -6.307 -4.206 -6.942 555 HD23 LEU 67 2HD2 LEU 67 -5.128 -4.260 -5.629 556 H LYS 68 H LYS 68 -4.622 -8.991 -4.470 557 HA LYS 68 HA LYS 68 -4.891 -10.990 -6.600 558 HB2 LYS 68 2HB LYS 68 -3.111 -10.644 -4.298 559 HB3 LYS 68 1HB LYS 68 -3.738 -12.279 -4.450 560 HG2 LYS 68 2HG LYS 68 -2.970 -11.573 -7.030 561 HG3 LYS 68 1HG LYS 68 -1.699 -10.940 -5.982 562 HD2 LYS 68 2HD LYS 68 -2.234 -13.471 -4.967 563 HD3 LYS 68 1HD LYS 68 -2.303 -13.678 -6.718 564 HE2 LYS 68 2HE LYS 68 -0.049 -12.105 -5.589 565 HE3 LYS 68 1HE LYS 68 -0.027 -13.853 -5.360 566 HZ1 LYS 68 3HZ LYS 68 1.054 -12.823 -7.452 567 HZ2 LYS 68 1HZ LYS 68 -0.531 -12.741 -8.036 568 HZ3 LYS 68 2HZ LYS 68 0.136 -14.234 -7.608 569 H GLU 69 H GLU 69 -5.243 -13.294 -5.272 570 HA GLU 69 HA GLU 69 -7.955 -12.996 -4.216 571 HB2 GLU 69 2HB GLU 69 -6.452 -15.179 -5.576 572 HB3 GLU 69 1HB GLU 69 -7.729 -15.640 -4.458 573 HG2 GLU 69 2HG GLU 69 -9.369 -14.480 -5.724 574 HG3 GLU 69 1HG GLU 69 -8.139 -13.716 -6.730 575 H ALA 70 H ALA 70 -7.680 -12.464 -2.081 576 HA ALA 70 HA ALA 70 -5.881 -14.000 -0.405 577 HB1 ALA 70 1HB ALA 70 -6.902 -11.411 -0.312 578 HB2 ALA 70 2HB ALA 70 -5.901 -12.202 0.904 579 HB3 ALA 70 3HB ALA 70 -7.658 -12.244 1.047 580 H ILE 71 H ILE 71 -6.683 -16.064 -0.263 581 HA ILE 71 HA ILE 71 -7.931 -17.778 0.567 582 HB ILE 71 HB ILE 71 -9.422 -15.686 2.155 583 HG12 ILE 71 2HG1 ILE 71 -7.296 -17.212 3.494 584 HG13 ILE 71 1HG1 ILE 71 -6.710 -16.104 2.258 585 HG21 ILE 71 1HG2 ILE 71 -10.631 -17.624 2.424 586 HG22 ILE 71 2HG2 ILE 71 -9.478 -17.753 3.754 587 HG23 ILE 71 3HG2 ILE 71 -9.212 -18.660 2.264 588 HD11 ILE 71 3HD1 ILE 71 -6.833 -14.483 3.753 589 HD12 ILE 71 1HD1 ILE 71 -7.620 -15.552 4.914 590 HD13 ILE 71 2HD1 ILE 71 -8.588 -14.660 3.741 591 H VAL 72 H VAL 72 -10.058 -18.770 0.452 592 HA VAL 72 HA VAL 72 -12.014 -17.276 -1.151 593 HB VAL 72 HB VAL 72 -11.212 -20.115 -1.784 594 HG11 VAL 72 1HG1 VAL 72 -13.355 -19.905 -2.582 595 HG12 VAL 72 2HG1 VAL 72 -12.426 -19.350 -3.975 596 HG13 VAL 72 3HG1 VAL 72 -13.185 -18.178 -2.898 597 HG21 VAL 72 3HG2 VAL 72 -9.334 -18.774 -2.356 598 HG22 VAL 72 1HG2 VAL 72 -10.360 -17.525 -3.060 599 HG23 VAL 72 2HG2 VAL 72 -10.210 -19.093 -3.853 600 H GLU 73 H GLU 73 -13.762 -17.214 0.105 601 HA GLU 73 HA GLU 73 -14.629 -19.713 1.401 602 HB2 GLU 73 2HB GLU 73 -14.438 -16.942 2.468 603 HB3 GLU 73 1HB GLU 73 -15.816 -17.909 2.975 604 HG2 GLU 73 2HG GLU 73 -13.878 -19.688 3.412 605 HG3 GLU 73 1HG GLU 73 -12.949 -18.203 3.617 606 H GLY 74 H GLY 74 -15.916 -20.193 -0.439 607 HA2 GLY 74 2HA GLY 74 -18.581 -19.575 -0.289 608 HA3 GLY 74 1HA GLY 74 -17.914 -18.362 -1.373 Start of MODEL 10 1 H1 MET 1 1HT MET 1 -10.852 20.079 3.304 2 H2 MET 1 2HT MET 1 -9.573 19.346 2.423 3 H3 MET 1 3HT MET 1 -9.728 19.068 4.110 4 HA MET 1 HA MET 1 -11.616 17.803 3.856 5 HB2 MET 1 2HB MET 1 -12.448 19.467 2.056 6 HB3 MET 1 1HB MET 1 -11.648 18.402 0.907 7 HG2 MET 1 2HG MET 1 -13.032 16.544 1.643 8 HG3 MET 1 1HG MET 1 -13.818 17.588 2.826 9 HE1 MET 1 2HE MET 1 -12.699 18.339 -0.854 10 HE2 MET 1 3HE MET 1 -14.205 18.105 -1.743 11 HE3 MET 1 1HE MET 1 -13.400 16.726 -0.992 12 H THR 2 H THR 2 -10.517 15.974 4.246 13 HA THR 2 HA THR 2 -9.585 14.407 2.025 14 HB THR 2 HB THR 2 -7.568 15.648 2.300 15 HG1 THR 2 1HG THR 2 -6.308 13.965 2.463 16 HG21 THR 2 3HG2 THR 2 -7.341 16.733 4.244 17 HG22 THR 2 1HG2 THR 2 -6.484 15.274 4.739 18 HG23 THR 2 2HG2 THR 2 -8.184 15.486 5.163 19 H ARG 3 H ARG 3 -10.945 12.783 2.622 20 HA ARG 3 HA ARG 3 -10.476 11.573 5.269 21 HB2 ARG 3 2HB ARG 3 -12.970 12.135 3.780 22 HB3 ARG 3 1HB ARG 3 -12.894 10.574 4.586 23 HG2 ARG 3 2HG ARG 3 -12.602 11.582 6.709 24 HG3 ARG 3 1HG ARG 3 -12.317 13.168 5.990 25 HD2 ARG 3 2HD ARG 3 -14.795 12.400 5.002 26 HD3 ARG 3 1HD ARG 3 -14.812 11.862 6.681 27 HE ARG 3 HE ARG 3 -14.865 14.052 7.351 28 HH11 ARG 3 1HH1 ARG 3 -14.004 13.919 3.973 29 HH12 ARG 3 2HH1 ARG 3 -14.132 15.631 3.744 30 HH21 ARG 3 1HH2 ARG 3 -15.036 16.304 7.051 31 HH22 ARG 3 2HH2 ARG 3 -14.718 16.985 5.491 32 H TRP 4 H TRP 4 -9.391 9.739 5.127 33 HA TRP 4 HA TRP 4 -9.037 8.318 2.690 34 HB2 TRP 4 2HB TRP 4 -8.204 7.932 5.530 35 HB3 TRP 4 1HB TRP 4 -8.100 6.556 4.438 36 HD1 TRP 4 HD TRP 4 -7.101 10.278 3.962 37 HE1 TRP 4 1HE TRP 4 -4.686 10.341 3.075 38 HE3 TRP 4 3HE TRP 4 -6.158 5.288 3.916 39 HZ2 TRP 4 2HZ TRP 4 -2.644 8.486 2.442 40 HZ3 TRP 4 3HZ TRP 4 -3.954 4.493 3.162 41 HH2 TRP 4 HH TRP 4 -2.230 6.064 2.435 42 H VAL 5 H VAL 5 -10.374 6.906 1.780 43 HA VAL 5 HA VAL 5 -12.756 6.018 3.020 44 HB VAL 5 HB VAL 5 -12.782 4.358 1.030 45 HG11 VAL 5 1HG1 VAL 5 -14.249 6.069 0.733 46 HG12 VAL 5 2HG1 VAL 5 -13.101 6.470 -0.543 47 HG13 VAL 5 3HG1 VAL 5 -13.029 7.312 1.005 48 HG21 VAL 5 3HG2 VAL 5 -10.889 6.151 -0.342 49 HG22 VAL 5 1HG2 VAL 5 -11.177 4.424 -0.552 50 HG23 VAL 5 2HG2 VAL 5 -10.178 4.996 0.785 51 HA PRO 6 HA PRO 6 -11.743 2.367 5.234 52 HB2 PRO 6 2HB PRO 6 -13.531 0.522 4.220 53 HB3 PRO 6 1HB PRO 6 -13.922 1.736 5.442 54 HG2 PRO 6 2HG PRO 6 -14.374 1.814 2.482 55 HG3 PRO 6 1HG PRO 6 -15.461 2.312 3.794 56 HD2 PRO 6 2HD PRO 6 -14.086 4.123 2.402 57 HD3 PRO 6 1HD PRO 6 -14.306 4.304 4.156 58 H THR 7 H THR 7 -12.817 0.578 2.391 59 HA THR 7 HA THR 7 -11.775 -1.078 1.213 60 HB THR 7 HB THR 7 -9.288 0.502 0.959 61 HG1 THR 7 1HG THR 7 -10.823 2.157 1.176 62 HG21 THR 7 3HG2 THR 7 -10.978 0.037 -1.380 63 HG22 THR 7 1HG2 THR 7 -10.452 -1.425 -0.548 64 HG23 THR 7 2HG2 THR 7 -9.257 -0.267 -1.134 65 H LYS 8 H LYS 8 -11.547 -1.576 3.897 66 HA LYS 8 HA LYS 8 -8.774 -2.520 4.206 67 HB2 LYS 8 2HB LYS 8 -9.323 -2.653 6.650 68 HB3 LYS 8 1HB LYS 8 -9.326 -1.025 5.987 69 HG2 LYS 8 2HG LYS 8 -11.763 -1.079 5.854 70 HG3 LYS 8 1HG LYS 8 -11.761 -2.712 6.521 71 HD2 LYS 8 2HD LYS 8 -10.518 -0.380 7.957 72 HD3 LYS 8 1HD LYS 8 -12.220 -0.809 8.146 73 HE2 LYS 8 2HE LYS 8 -9.797 -2.448 8.851 74 HE3 LYS 8 1HE LYS 8 -11.055 -1.848 9.931 75 HZ1 LYS 8 3HZ LYS 8 -11.063 -4.172 8.183 76 HZ2 LYS 8 1HZ LYS 8 -12.516 -3.307 8.273 77 HZ3 LYS 8 2HZ LYS 8 -11.818 -3.938 9.679 78 H ARG 9 H ARG 9 -8.435 -4.616 5.120 79 HA ARG 9 HA ARG 9 -8.744 -6.867 5.182 80 HB2 ARG 9 2HB ARG 9 -10.640 -5.799 6.787 81 HB3 ARG 9 1HB ARG 9 -11.658 -6.665 5.646 82 HG2 ARG 9 2HG ARG 9 -11.097 -8.665 6.473 83 HG3 ARG 9 1HG ARG 9 -9.394 -8.229 6.631 84 HD2 ARG 9 2HD ARG 9 -10.845 -6.715 8.534 85 HD3 ARG 9 1HD ARG 9 -11.401 -8.383 8.652 86 HE ARG 9 HE ARG 9 -8.712 -8.638 8.608 87 HH11 ARG 9 1HH1 ARG 9 -10.888 -6.704 10.533 88 HH12 ARG 9 2HH1 ARG 9 -9.855 -6.700 11.923 89 HH21 ARG 9 1HH2 ARG 9 -7.352 -8.634 10.437 90 HH22 ARG 9 2HH2 ARG 9 -7.848 -7.796 11.869 91 H GLU 10 H GLU 10 -9.007 -5.569 2.640 92 HA GLU 10 HA GLU 10 -11.202 -6.769 1.226 93 HB2 GLU 10 2HB GLU 10 -10.143 -4.603 0.568 94 HB3 GLU 10 1HB GLU 10 -8.702 -5.496 0.099 95 HG2 GLU 10 2HG GLU 10 -9.624 -5.541 -1.928 96 HG3 GLU 10 1HG GLU 10 -10.649 -6.817 -1.274 97 H GLU 11 H GLU 11 -11.100 -8.976 1.396 98 HA GLU 11 HA GLU 11 -10.520 -11.092 0.796 99 HB2 GLU 11 2HB GLU 11 -9.627 -9.508 -1.316 100 HB3 GLU 11 1HB GLU 11 -8.240 -10.509 -0.911 101 HG2 GLU 11 2HG GLU 11 -9.329 -11.783 -2.486 102 HG3 GLU 11 1HG GLU 11 -9.931 -12.461 -0.975 103 H LYS 12 H LYS 12 -7.351 -9.483 0.557 104 HA LYS 12 HA LYS 12 -6.437 -10.374 3.088 105 HB2 LYS 12 2HB LYS 12 -6.257 -12.259 0.916 106 HB3 LYS 12 1HB LYS 12 -4.644 -11.807 1.450 107 HG2 LYS 12 2HG LYS 12 -4.907 -12.748 3.511 108 HG3 LYS 12 1HG LYS 12 -6.657 -12.516 3.516 109 HD2 LYS 12 2HD LYS 12 -6.367 -14.240 1.440 110 HD3 LYS 12 1HD LYS 12 -5.046 -14.754 2.492 111 HE2 LYS 12 2HE LYS 12 -6.808 -16.048 3.249 112 HE3 LYS 12 1HE LYS 12 -6.842 -14.679 4.361 113 HZ1 LYS 12 3HZ LYS 12 -8.996 -15.536 3.135 114 HZ2 LYS 12 1HZ LYS 12 -8.451 -14.479 1.932 115 HZ3 LYS 12 2HZ LYS 12 -8.767 -13.897 3.488 116 H TYR 13 H TYR 13 -4.877 -10.158 -0.112 117 HA TYR 13 HA TYR 13 -3.779 -7.572 0.421 118 HB2 TYR 13 2HB TYR 13 -1.362 -8.482 0.208 119 HB3 TYR 13 1HB TYR 13 -2.163 -8.579 1.773 120 HD1 TYR 13 1HD TYR 13 -2.033 -10.686 -1.322 121 HD2 TYR 13 2HD TYR 13 -1.733 -10.523 2.919 122 HE1 TYR 13 1HE TYR 13 -1.613 -13.108 -1.264 123 HE2 TYR 13 2HE TYR 13 -1.311 -12.944 2.989 124 HH TYR 13 HH TYR 13 -0.368 -14.720 0.466 125 H GLY 14 H GLY 14 -1.893 -7.198 -1.308 126 HA2 GLY 14 2HA GLY 14 -2.634 -8.544 -3.817 127 HA3 GLY 14 1HA GLY 14 -2.688 -6.790 -3.731 128 H VAL 15 H VAL 15 -1.161 -7.403 -5.640 129 HA VAL 15 HA VAL 15 1.593 -7.555 -4.600 130 HB VAL 15 HB VAL 15 0.661 -8.267 -7.384 131 HG11 VAL 15 1HG1 VAL 15 3.327 -8.562 -6.005 132 HG12 VAL 15 2HG1 VAL 15 2.949 -7.522 -7.379 133 HG13 VAL 15 3HG1 VAL 15 2.924 -9.275 -7.566 134 HG21 VAL 15 3HG2 VAL 15 1.686 -10.300 -5.471 135 HG22 VAL 15 1HG2 VAL 15 0.549 -10.476 -6.808 136 HG23 VAL 15 2HG2 VAL 15 0.022 -9.747 -5.292 137 H ALA 16 H ALA 16 3.127 -6.117 -5.357 138 HA ALA 16 HA ALA 16 2.093 -3.849 -6.931 139 HB1 ALA 16 1HB ALA 16 4.313 -3.105 -5.254 140 HB2 ALA 16 2HB ALA 16 3.016 -3.813 -4.291 141 HB3 ALA 16 3HB ALA 16 2.687 -2.426 -5.329 142 H PHE 17 H PHE 17 3.254 -3.285 -8.698 143 HA PHE 17 HA PHE 17 5.910 -4.524 -9.015 144 HB2 PHE 17 2HB PHE 17 5.446 -4.499 -11.477 145 HB3 PHE 17 1HB PHE 17 4.393 -5.569 -10.556 146 HD1 PHE 17 2HD PHE 17 2.074 -4.729 -9.954 147 HD2 PHE 17 1HD PHE 17 4.559 -2.836 -12.844 148 HE1 PHE 17 2HE PHE 17 0.100 -3.619 -10.917 149 HE2 PHE 17 1HE PHE 17 2.589 -1.721 -13.812 150 HZ PHE 17 HZ PHE 17 0.356 -2.113 -12.849 151 H TYR 18 H TYR 18 7.095 -2.781 -8.290 152 HA TYR 18 HA TYR 18 7.529 -0.699 -10.209 153 HB2 TYR 18 2HB TYR 18 5.601 -0.141 -8.308 154 HB3 TYR 18 1HB TYR 18 7.052 0.592 -7.633 155 HD1 TYR 18 1HD TYR 18 4.666 0.653 -10.420 156 HD2 TYR 18 2HD TYR 18 8.098 2.488 -8.705 157 HE1 TYR 18 1HE TYR 18 4.372 2.585 -11.914 158 HE2 TYR 18 2HE TYR 18 7.813 4.426 -10.191 159 HH TYR 18 HH TYR 18 6.071 5.514 -11.484 160 H ASN 19 H ASN 19 9.205 0.913 -9.295 161 HA ASN 19 HA ASN 19 11.108 -0.564 -7.595 162 HB2 ASN 19 2HB ASN 19 11.689 1.232 -9.962 163 HB3 ASN 19 1HB ASN 19 12.917 0.586 -8.879 164 HD21 ASN 19 1HD2 ASN 19 10.936 0.004 -11.579 165 HD22 ASN 19 2HD2 ASN 19 11.421 -1.627 -11.879 166 H TYR 20 H TYR 20 9.580 0.801 -6.089 167 HA TYR 20 HA TYR 20 10.681 3.507 -5.767 168 HB2 TYR 20 2HB TYR 20 8.223 3.318 -5.978 169 HB3 TYR 20 1HB TYR 20 8.193 2.301 -4.542 170 HD1 TYR 20 1HD TYR 20 10.028 5.471 -5.269 171 HD2 TYR 20 2HD TYR 20 7.123 3.493 -2.871 172 HE1 TYR 20 1HE TYR 20 9.834 7.478 -3.860 173 HE2 TYR 20 2HE TYR 20 6.919 5.494 -1.457 174 HH TYR 20 HH TYR 20 8.858 7.658 -1.041 175 H ASP 21 H ASP 21 11.772 4.102 -3.978 176 HA ASP 21 HA ASP 21 12.131 2.067 -1.876 177 HB2 ASP 21 2HB ASP 21 14.152 2.475 -3.299 178 HB3 ASP 21 1HB ASP 21 14.155 4.144 -2.738 179 H ALA 22 H ALA 22 11.330 2.642 0.025 180 HA ALA 22 HA ALA 22 10.280 5.195 0.568 181 HB1 ALA 22 1HB ALA 22 9.228 3.625 1.833 182 HB2 ALA 22 2HB ALA 22 10.401 4.196 3.021 183 HB3 ALA 22 3HB ALA 22 10.705 2.707 2.126 184 H ARG 23 H ARG 23 11.285 7.005 1.096 185 HA ARG 23 HA ARG 23 14.072 7.034 1.771 186 HB2 ARG 23 2HB ARG 23 11.984 9.203 1.559 187 HB3 ARG 23 1HB ARG 23 13.651 9.528 2.011 188 HG2 ARG 23 2HG ARG 23 14.378 8.522 -0.136 189 HG3 ARG 23 1HG ARG 23 12.680 8.361 -0.587 190 HD2 ARG 23 2HD ARG 23 12.519 10.877 -0.122 191 HD3 ARG 23 1HD ARG 23 14.282 10.863 -0.162 192 HE ARG 23 HE ARG 23 12.497 10.648 -2.398 193 HH11 ARG 23 1HH1 ARG 23 15.691 9.886 -1.217 194 HH12 ARG 23 2HH1 ARG 23 16.389 9.790 -2.799 195 HH21 ARG 23 1HH2 ARG 23 13.413 10.523 -4.480 196 HH22 ARG 23 2HH2 ARG 23 15.096 10.153 -4.652 197 H GLY 24 H GLY 24 11.112 6.977 3.535 198 HA2 GLY 24 2HA GLY 24 12.603 6.970 6.032 199 HA3 GLY 24 1HA GLY 24 11.427 8.264 5.853 200 H ALA 25 H ALA 25 10.624 7.112 7.852 201 HA ALA 25 HA ALA 25 9.351 4.578 7.568 202 HB1 ALA 25 1HB ALA 25 10.038 5.187 9.745 203 HB2 ALA 25 2HB ALA 25 8.275 5.212 9.763 204 HB3 ALA 25 3HB ALA 25 9.176 6.724 9.667 205 H ASP 26 H ASP 26 8.445 7.792 6.763 206 HA ASP 26 HA ASP 26 5.636 7.549 6.991 207 HB2 ASP 26 2HB ASP 26 7.127 9.664 6.661 208 HB3 ASP 26 1HB ASP 26 6.944 9.312 4.945 209 H GLU 27 H GLU 27 7.919 6.761 4.434 210 HA GLU 27 HA GLU 27 5.687 5.842 2.753 211 HB2 GLU 27 2HB GLU 27 8.454 6.799 2.151 212 HB3 GLU 27 1HB GLU 27 7.680 5.679 1.037 213 HG2 GLU 27 2HG GLU 27 7.048 7.648 0.103 214 HG3 GLU 27 1HG GLU 27 5.700 7.405 1.214 215 H LEU 28 H LEU 28 6.492 3.933 1.262 216 HA LEU 28 HA LEU 28 7.907 1.954 2.909 217 HB2 LEU 28 2HB LEU 28 5.336 1.776 2.936 218 HB3 LEU 28 1HB LEU 28 5.491 1.228 1.278 219 HG LEU 28 HG LEU 28 7.215 -0.467 2.418 220 HD11 LEU 28 1HD1 LEU 28 6.377 0.773 4.653 221 HD12 LEU 28 2HD1 LEU 28 6.916 -0.906 4.607 222 HD13 LEU 28 3HD1 LEU 28 5.192 -0.530 4.558 223 HD21 LEU 28 3HD2 LEU 28 4.821 -0.672 1.206 224 HD22 LEU 28 1HD2 LEU 28 4.405 -1.259 2.816 225 HD23 LEU 28 2HD2 LEU 28 5.690 -2.043 1.897 226 H SER 29 H SER 29 9.431 0.857 1.841 227 HA SER 29 HA SER 29 9.996 1.456 -0.885 228 HB2 SER 29 2HB SER 29 11.920 0.068 -0.630 229 HB3 SER 29 1HB SER 29 11.694 0.875 0.920 230 HG SER 29 HG SER 29 11.273 -0.982 1.830 231 H LEU 30 H LEU 30 8.747 0.697 -2.473 232 HA LEU 30 HA LEU 30 7.670 -2.022 -2.247 233 HB2 LEU 30 2HB LEU 30 6.650 0.458 -3.281 234 HB3 LEU 30 1HB LEU 30 6.631 -0.760 -4.541 235 HG LEU 30 HG LEU 30 4.507 -0.803 -3.456 236 HD11 LEU 30 1HD1 LEU 30 5.804 -2.988 -3.952 237 HD12 LEU 30 2HD1 LEU 30 4.324 -3.062 -2.994 238 HD13 LEU 30 3HD1 LEU 30 5.896 -3.131 -2.197 239 HD21 LEU 30 3HD2 LEU 30 5.462 0.269 -1.333 240 HD22 LEU 30 1HD2 LEU 30 5.806 -1.381 -0.816 241 HD23 LEU 30 2HD2 LEU 30 4.145 -0.890 -1.151 242 H GLN 31 H GLN 31 8.385 -3.623 -3.474 243 HA GLN 31 HA GLN 31 10.052 -2.969 -5.812 244 HB2 GLN 31 2HB GLN 31 10.436 -5.200 -3.809 245 HB3 GLN 31 1HB GLN 31 11.345 -5.042 -5.306 246 HG2 GLN 31 2HG GLN 31 12.722 -4.181 -3.610 247 HG3 GLN 31 1HG GLN 31 12.089 -2.783 -4.479 248 HE21 GLN 31 1HE2 GLN 31 11.284 -4.854 -1.713 249 HE22 GLN 31 2HE2 GLN 31 10.742 -3.572 -0.691 250 H ILE 32 H ILE 32 9.879 -4.333 -7.608 251 HA ILE 32 HA ILE 32 7.331 -5.363 -8.134 252 HB ILE 32 HB ILE 32 9.900 -6.027 -9.578 253 HG12 ILE 32 2HG1 ILE 32 7.920 -3.964 -10.476 254 HG13 ILE 32 1HG1 ILE 32 9.109 -3.543 -9.250 255 HG21 ILE 32 1HG2 ILE 32 8.124 -7.556 -10.169 256 HG22 ILE 32 2HG2 ILE 32 8.414 -6.442 -11.505 257 HG23 ILE 32 3HG2 ILE 32 7.020 -6.212 -10.452 258 HD11 ILE 32 3HD1 ILE 32 9.522 -3.219 -11.860 259 HD12 ILE 32 1HD1 ILE 32 10.137 -4.862 -11.678 260 HD13 ILE 32 2HD1 ILE 32 10.821 -3.553 -10.715 261 H GLY 33 H GLY 33 6.391 -7.252 -7.756 262 HA2 GLY 33 2HA GLY 33 6.312 -9.612 -7.597 263 HA3 GLY 33 1HA GLY 33 8.038 -9.623 -7.266 264 H ASP 34 H ASP 34 6.827 -7.221 -5.382 265 HA ASP 34 HA ASP 34 6.776 -8.977 -3.049 266 HB2 ASP 34 2HB ASP 34 7.193 -6.030 -3.445 267 HB3 ASP 34 1HB ASP 34 6.776 -6.665 -1.857 268 H THR 35 H THR 35 5.098 -9.047 -1.580 269 HA THR 35 HA THR 35 2.518 -8.108 -2.603 270 HB THR 35 HB THR 35 2.955 -9.986 -0.283 271 HG1 THR 35 1HG THR 35 3.485 -11.483 -1.629 272 HG21 THR 35 3HG2 THR 35 0.657 -9.790 -2.210 273 HG22 THR 35 1HG2 THR 35 0.681 -9.067 -0.602 274 HG23 THR 35 2HG2 THR 35 0.772 -10.820 -0.784 275 H VAL 36 H VAL 36 1.037 -6.993 -1.237 276 HA VAL 36 HA VAL 36 2.135 -5.924 1.258 277 HB VAL 36 HB VAL 36 1.221 -3.639 0.577 278 HG11 VAL 36 1HG1 VAL 36 3.721 -4.951 -0.280 279 HG12 VAL 36 2HG1 VAL 36 3.471 -3.514 0.712 280 HG13 VAL 36 3HG1 VAL 36 3.356 -3.404 -1.044 281 HG21 VAL 36 3HG2 VAL 36 1.352 -3.257 -1.921 282 HG22 VAL 36 1HG2 VAL 36 -0.056 -4.153 -1.347 283 HG23 VAL 36 2HG2 VAL 36 1.288 -5.009 -2.101 284 H HIS 37 H HIS 37 0.676 -5.599 2.834 285 HA HIS 37 HA HIS 37 -2.109 -6.293 2.239 286 HB2 HIS 37 2HB HIS 37 -0.981 -7.611 3.990 287 HB3 HIS 37 1HB HIS 37 -0.669 -6.135 4.898 288 HD1 HIS 37 1HD HIS 37 -2.083 -7.732 6.688 289 HD2 HIS 37 2HD HIS 37 -4.185 -5.906 3.603 290 HE1 HIS 37 1HE HIS 37 -4.490 -7.741 7.418 291 HE2 HIS 37 2HE HIS 37 -5.753 -6.708 5.498 292 H ILE 38 H ILE 38 -3.321 -4.573 1.783 293 HA ILE 38 HA ILE 38 -2.713 -1.955 2.784 294 HB ILE 38 HB ILE 38 -5.253 -2.747 1.377 295 HG12 ILE 38 2HG1 ILE 38 -3.376 -1.647 -0.456 296 HG13 ILE 38 1HG1 ILE 38 -2.573 -2.967 0.387 297 HG21 ILE 38 1HG2 ILE 38 -5.163 -0.430 0.564 298 HG22 ILE 38 2HG2 ILE 38 -3.697 -0.167 1.509 299 HG23 ILE 38 3HG2 ILE 38 -5.223 -0.517 2.324 300 HD11 ILE 38 3HD1 ILE 38 -5.305 -3.411 -0.701 301 HD12 ILE 38 1HD1 ILE 38 -3.979 -4.550 -0.472 302 HD13 ILE 38 2HD1 ILE 38 -3.927 -3.395 -1.804 303 H LEU 39 H LEU 39 -3.516 -0.932 4.490 304 HA LEU 39 HA LEU 39 -5.708 -2.212 5.981 305 HB2 LEU 39 2HB LEU 39 -4.821 -1.098 7.978 306 HB3 LEU 39 1HB LEU 39 -3.638 -2.163 7.245 307 HG LEU 39 HG LEU 39 -2.918 0.139 6.068 308 HD11 LEU 39 1HD1 LEU 39 -3.213 2.028 7.378 309 HD12 LEU 39 2HD1 LEU 39 -3.665 1.092 8.803 310 HD13 LEU 39 3HD1 LEU 39 -4.792 1.247 7.454 311 HD21 LEU 39 3HD2 LEU 39 -1.511 -1.422 7.381 312 HD22 LEU 39 1HD2 LEU 39 -2.082 -0.641 8.857 313 HD23 LEU 39 2HD2 LEU 39 -1.138 0.275 7.680 314 H GLU 40 H GLU 40 -4.397 0.826 4.791 315 HA GLU 40 HA GLU 40 -7.032 2.076 5.234 316 HB2 GLU 40 2HB GLU 40 -4.582 2.925 6.247 317 HB3 GLU 40 1HB GLU 40 -4.846 3.967 4.858 318 HG2 GLU 40 2HG GLU 40 -6.507 5.086 5.855 319 HG3 GLU 40 1HG GLU 40 -7.186 3.632 6.585 320 H THR 41 H THR 41 -7.595 3.753 3.605 321 HA THR 41 HA THR 41 -6.169 3.653 1.089 322 HB THR 41 HB THR 41 -8.875 2.387 1.465 323 HG1 THR 41 1HG THR 41 -6.432 1.565 0.298 324 HG21 THR 41 3HG2 THR 41 -9.134 2.189 -0.921 325 HG22 THR 41 1HG2 THR 41 -7.664 3.122 -1.186 326 HG23 THR 41 2HG2 THR 41 -9.075 3.889 -0.463 327 H TYR 42 H TYR 42 -7.145 5.077 -0.554 328 HA TYR 42 HA TYR 42 -9.164 6.955 0.209 329 HB2 TYR 42 2HB TYR 42 -7.431 7.967 1.511 330 HB3 TYR 42 1HB TYR 42 -6.266 7.807 0.202 331 HD1 TYR 42 2HD TYR 42 -9.391 9.565 1.183 332 HD2 TYR 42 1HD TYR 42 -5.979 9.535 -1.359 333 HE1 TYR 42 2HE TYR 42 -9.950 11.833 0.416 334 HE2 TYR 42 1HE TYR 42 -6.529 11.803 -2.134 335 HH TYR 42 HH TYR 42 -7.882 13.828 -1.088 336 H GLU 43 H GLU 43 -6.245 7.285 -1.792 337 HA GLU 43 HA GLU 43 -7.386 6.595 -4.248 338 HB2 GLU 43 2HB GLU 43 -8.792 8.601 -3.823 339 HB3 GLU 43 1HB GLU 43 -7.334 9.579 -3.758 340 HG2 GLU 43 2HG GLU 43 -8.072 9.926 -5.909 341 HG3 GLU 43 1HG GLU 43 -6.882 8.644 -6.122 342 H GLY 44 H GLY 44 -5.463 5.744 -4.850 343 HA2 GLY 44 2HA GLY 44 -3.301 5.685 -5.636 344 HA3 GLY 44 1HA GLY 44 -3.424 7.427 -5.851 345 H TRP 45 H TRP 45 -3.952 5.933 -2.770 346 HA TRP 45 HA TRP 45 -1.314 6.177 -1.755 347 HB2 TRP 45 2HB TRP 45 -2.714 8.578 -1.930 348 HB3 TRP 45 1HB TRP 45 -2.928 8.087 -0.261 349 HD1 TRP 45 HD TRP 45 -1.514 10.436 0.111 350 HE1 TRP 45 1HE TRP 45 1.018 10.785 0.358 351 HE3 TRP 45 3HE TRP 45 0.157 6.057 -1.990 352 HZ2 TRP 45 2HZ TRP 45 3.393 9.418 -0.246 353 HZ3 TRP 45 3HZ TRP 45 2.580 5.677 -2.111 354 HH2 TRP 45 HH TRP 45 4.163 7.319 -1.255 355 H TYR 46 H TYR 46 -1.670 4.147 -0.868 356 HA TYR 46 HA TYR 46 -3.759 4.034 1.214 357 HB2 TYR 46 2HB TYR 46 -2.675 1.598 -0.182 358 HB3 TYR 46 1HB TYR 46 -4.155 1.756 0.750 359 HD1 TYR 46 2HD TYR 46 -5.081 4.369 -0.598 360 HD2 TYR 46 1HD TYR 46 -3.648 0.672 -2.140 361 HE1 TYR 46 2HE TYR 46 -6.351 4.748 -2.671 362 HE2 TYR 46 1HE TYR 46 -4.912 1.038 -4.214 363 HH TYR 46 HH TYR 46 -6.963 2.355 -4.914 364 H ARG 47 H ARG 47 -3.310 2.662 3.047 365 HA ARG 47 HA ARG 47 -0.448 2.650 3.727 366 HB2 ARG 47 2HB ARG 47 -2.910 3.249 5.230 367 HB3 ARG 47 1HB ARG 47 -1.751 2.252 6.097 368 HG2 ARG 47 2HG ARG 47 -0.890 4.782 4.762 369 HG3 ARG 47 1HG ARG 47 -1.640 4.805 6.357 370 HD2 ARG 47 2HD ARG 47 0.080 3.397 7.255 371 HD3 ARG 47 1HD ARG 47 0.771 3.143 5.653 372 HE ARG 47 HE ARG 47 1.878 5.128 5.865 373 HH11 ARG 47 1HH1 ARG 47 -0.713 5.049 8.201 374 HH12 ARG 47 2HH1 ARG 47 -0.225 6.518 8.978 375 HH21 ARG 47 1HH2 ARG 47 2.523 7.059 6.886 376 HH22 ARG 47 2HH2 ARG 47 1.611 7.659 8.230 377 H GLY 48 H GLY 48 0.486 0.814 4.659 378 HA2 GLY 48 2HA GLY 48 -0.810 -1.488 5.504 379 HA3 GLY 48 1HA GLY 48 -0.566 -1.673 3.774 380 H TYR 49 H TYR 49 0.652 -3.563 4.845 381 HA TYR 49 HA TYR 49 3.472 -2.766 5.006 382 HB2 TYR 49 2HB TYR 49 3.722 -4.646 6.747 383 HB3 TYR 49 1HB TYR 49 3.028 -3.120 7.286 384 HD1 TYR 49 1HD TYR 49 0.574 -2.952 7.669 385 HD2 TYR 49 2HD TYR 49 2.462 -6.665 6.803 386 HE1 TYR 49 1HE TYR 49 -1.403 -4.146 8.512 387 HE2 TYR 49 2HE TYR 49 0.490 -7.870 7.643 388 HH TYR 49 HH TYR 49 -1.399 -7.498 9.135 389 H THR 50 H THR 50 4.925 -4.216 4.122 390 HA THR 50 HA THR 50 3.886 -5.967 2.133 391 HB THR 50 HB THR 50 6.512 -6.628 2.226 392 HG1 THR 50 1HG THR 50 6.529 -3.934 3.050 393 HG21 THR 50 3HG2 THR 50 6.952 -4.766 0.658 394 HG22 THR 50 1HG2 THR 50 5.348 -4.133 1.019 395 HG23 THR 50 2HG2 THR 50 5.520 -5.712 0.254 396 H LEU 51 H LEU 51 4.035 -8.214 1.983 397 HA LEU 51 HA LEU 51 3.463 -9.668 4.295 398 HB2 LEU 51 2HB LEU 51 3.974 -10.265 1.469 399 HB3 LEU 51 1HB LEU 51 4.388 -11.579 2.555 400 HG LEU 51 HG LEU 51 2.102 -11.779 1.668 401 HD11 LEU 51 1HD1 LEU 51 2.287 -12.907 3.665 402 HD12 LEU 51 2HD1 LEU 51 0.965 -11.794 4.015 403 HD13 LEU 51 3HD1 LEU 51 2.593 -11.437 4.591 404 HD21 LEU 51 3HD2 LEU 51 0.511 -10.054 2.958 405 HD22 LEU 51 1HD2 LEU 51 1.127 -9.766 1.330 406 HD23 LEU 51 2HD2 LEU 51 1.922 -9.023 2.719 407 H ARG 52 H ARG 52 6.507 -8.942 2.757 408 HA ARG 52 HA ARG 52 8.079 -10.914 4.032 409 HB2 ARG 52 2HB ARG 52 8.520 -8.576 2.360 410 HB3 ARG 52 1HB ARG 52 9.759 -8.735 3.597 411 HG2 ARG 52 2HG ARG 52 10.746 -10.386 2.498 412 HG3 ARG 52 1HG ARG 52 9.231 -11.280 2.362 413 HD2 ARG 52 2HD ARG 52 8.710 -10.347 0.313 414 HD3 ARG 52 1HD ARG 52 9.722 -8.929 0.588 415 HE ARG 52 HE ARG 52 10.520 -11.416 -0.580 416 HH11 ARG 52 1HH1 ARG 52 11.644 -8.668 1.252 417 HH12 ARG 52 2HH1 ARG 52 13.287 -8.834 0.735 418 HH21 ARG 52 1HH2 ARG 52 12.682 -11.638 -1.263 419 HH22 ARG 52 2HH2 ARG 52 13.877 -10.522 -0.694 420 H LYS 53 H LYS 53 7.654 -7.452 4.778 421 HA LYS 53 HA LYS 53 8.469 -8.056 7.548 422 HB2 LYS 53 2HB LYS 53 9.116 -5.590 7.618 423 HB3 LYS 53 1HB LYS 53 10.150 -6.654 6.671 424 HG2 LYS 53 2HG LYS 53 9.122 -5.897 4.623 425 HG3 LYS 53 1HG LYS 53 7.977 -4.907 5.532 426 HD2 LYS 53 2HD LYS 53 9.912 -3.639 6.459 427 HD3 LYS 53 1HD LYS 53 10.970 -4.558 5.386 428 HE2 LYS 53 2HE LYS 53 8.676 -2.814 4.499 429 HE3 LYS 53 1HE LYS 53 10.375 -2.349 4.468 430 HZ1 LYS 53 3HZ LYS 53 9.000 -4.391 2.835 431 HZ2 LYS 53 1HZ LYS 53 10.680 -4.411 3.030 432 HZ3 LYS 53 2HZ LYS 53 9.928 -3.074 2.319 433 H LYS 54 H LYS 54 6.428 -8.412 8.367 434 HA LYS 54 HA LYS 54 4.241 -6.634 7.879 435 HB2 LYS 54 2HB LYS 54 4.683 -8.916 9.789 436 HB3 LYS 54 1HB LYS 54 3.220 -7.943 9.840 437 HG2 LYS 54 2HG LYS 54 2.898 -8.514 7.406 438 HG3 LYS 54 1HG LYS 54 4.202 -9.688 7.601 439 HD2 LYS 54 2HD LYS 54 2.858 -10.641 9.532 440 HD3 LYS 54 1HD LYS 54 1.520 -9.638 8.967 441 HE2 LYS 54 2HE LYS 54 2.835 -11.257 6.894 442 HE3 LYS 54 1HE LYS 54 1.997 -12.179 8.140 443 HZ1 LYS 54 3HZ LYS 54 -0.023 -11.055 7.656 444 HZ2 LYS 54 1HZ LYS 54 0.613 -11.583 6.180 445 HZ3 LYS 54 2HZ LYS 54 0.746 -9.957 6.626 446 H SER 55 H SER 55 6.825 -6.777 10.179 447 HA SER 55 HA SER 55 5.663 -5.257 12.253 448 HB2 SER 55 2HB SER 55 8.444 -6.000 11.461 449 HB3 SER 55 1HB SER 55 8.235 -4.691 12.624 450 HG SER 55 HG SER 55 8.410 -6.907 13.485 451 H LYS 56 H LYS 56 7.343 -4.363 9.298 452 HA LYS 56 HA LYS 56 7.356 -1.550 10.007 453 HB2 LYS 56 2HB LYS 56 8.952 -3.114 8.384 454 HB3 LYS 56 1HB LYS 56 7.984 -2.210 7.227 455 HG2 LYS 56 2HG LYS 56 9.624 -1.000 9.444 456 HG3 LYS 56 1HG LYS 56 10.101 -1.097 7.747 457 HD2 LYS 56 2HD LYS 56 7.697 0.080 7.485 458 HD3 LYS 56 1HD LYS 56 8.156 0.683 9.079 459 HE2 LYS 56 2HE LYS 56 9.787 0.916 6.552 460 HE3 LYS 56 1HE LYS 56 8.865 2.213 7.313 461 HZ1 LYS 56 3HZ LYS 56 11.428 1.072 8.065 462 HZ2 LYS 56 1HZ LYS 56 10.388 1.445 9.346 463 HZ3 LYS 56 2HZ LYS 56 10.848 2.649 8.251 464 H LYS 57 H LYS 57 6.188 0.065 8.963 465 HA LYS 57 HA LYS 57 4.016 -0.818 7.191 466 HB2 LYS 57 2HB LYS 57 3.806 0.430 9.840 467 HB3 LYS 57 1HB LYS 57 2.855 1.232 8.598 468 HG2 LYS 57 2HG LYS 57 1.366 -0.431 8.495 469 HG3 LYS 57 1HG LYS 57 2.606 -1.681 8.586 470 HD2 LYS 57 2HD LYS 57 2.122 -2.031 10.727 471 HD3 LYS 57 1HD LYS 57 2.478 -0.345 11.102 472 HE2 LYS 57 2HE LYS 57 -0.107 -0.713 9.802 473 HE3 LYS 57 1HE LYS 57 0.026 -1.573 11.336 474 HZ1 LYS 57 3HZ LYS 57 -0.681 0.977 11.148 475 HZ2 LYS 57 1HZ LYS 57 0.991 1.167 11.326 476 HZ3 LYS 57 2HZ LYS 57 0.104 0.335 12.501 477 H GLY 58 H GLY 58 3.087 0.907 5.885 478 HA2 GLY 58 2HA GLY 58 4.127 3.516 5.778 479 HA3 GLY 58 1HA GLY 58 5.041 2.511 4.663 480 H ILE 59 H ILE 59 4.003 4.289 3.255 481 HA ILE 59 HA ILE 59 1.359 3.361 2.336 482 HB ILE 59 HB ILE 59 1.032 5.617 1.387 483 HG12 ILE 59 2HG1 ILE 59 3.652 6.184 2.790 484 HG13 ILE 59 1HG1 ILE 59 3.319 6.318 1.067 485 HG21 ILE 59 1HG2 ILE 59 0.972 4.847 4.118 486 HG22 ILE 59 2HG2 ILE 59 -0.053 6.012 3.281 487 HG23 ILE 59 3HG2 ILE 59 1.447 6.543 4.042 488 HD11 ILE 59 3HD1 ILE 59 1.569 8.074 1.786 489 HD12 ILE 59 1HD1 ILE 59 3.279 8.511 1.782 490 HD13 ILE 59 2HD1 ILE 59 2.473 8.109 3.300 491 H PHE 60 H PHE 60 0.935 3.592 0.022 492 HA PHE 60 HA PHE 60 3.183 3.855 -1.760 493 HB2 PHE 60 2HB PHE 60 2.928 1.606 -2.761 494 HB3 PHE 60 1HB PHE 60 3.484 1.542 -1.093 495 HD1 PHE 60 1HD PHE 60 0.301 1.457 -3.039 496 HD2 PHE 60 2HD PHE 60 2.491 0.036 0.320 497 HE1 PHE 60 1HE PHE 60 -1.545 -0.072 -2.488 498 HE2 PHE 60 2HE PHE 60 0.651 -1.499 0.874 499 HZ PHE 60 HZ PHE 60 -1.368 -1.554 -0.535 500 HA PRO 61 HA PRO 61 -0.083 5.212 -4.406 501 HB2 PRO 61 2HB PRO 61 1.530 4.616 -6.755 502 HB3 PRO 61 1HB PRO 61 1.107 6.185 -6.068 503 HG2 PRO 61 2HG PRO 61 3.628 5.181 -6.016 504 HG3 PRO 61 1HG PRO 61 2.995 6.274 -4.773 505 HD2 PRO 61 2HD PRO 61 3.309 3.296 -4.697 506 HD3 PRO 61 1HD PRO 61 3.635 4.498 -3.430 507 H ALA 62 H ALA 62 -1.829 4.323 -5.322 508 HA ALA 62 HA ALA 62 -2.005 1.507 -5.688 509 HB1 ALA 62 1HB ALA 62 -4.255 1.822 -5.871 510 HB2 ALA 62 2HB ALA 62 -4.085 3.305 -6.809 511 HB3 ALA 62 3HB ALA 62 -3.815 3.327 -5.066 512 H SER 63 H SER 63 -0.851 3.942 -7.702 513 HA SER 63 HA SER 63 -1.766 3.370 -10.225 514 HB2 SER 63 2HB SER 63 -0.205 5.215 -9.637 515 HB3 SER 63 1HB SER 63 1.099 4.034 -9.517 516 HG SER 63 HG SER 63 -0.469 4.330 -11.854 517 H TYR 64 H TYR 64 0.316 1.412 -8.241 518 HA TYR 64 HA TYR 64 0.450 -0.535 -10.438 519 HB2 TYR 64 2HB TYR 64 2.754 -1.122 -9.785 520 HB3 TYR 64 1HB TYR 64 2.626 0.546 -10.332 521 HD1 TYR 64 2HD TYR 64 2.834 2.396 -8.736 522 HD2 TYR 64 1HD TYR 64 3.315 -1.646 -7.501 523 HE1 TYR 64 2HE TYR 64 3.888 3.165 -6.651 524 HE2 TYR 64 1HE TYR 64 4.367 -0.889 -5.413 525 HH TYR 64 HH TYR 64 4.420 1.115 -3.998 526 H ILE 65 H ILE 65 -1.456 -0.610 -8.407 527 HA ILE 65 HA ILE 65 -0.515 -2.906 -6.813 528 HB ILE 65 HB ILE 65 -2.739 -1.034 -6.006 529 HG12 ILE 65 2HG1 ILE 65 -0.583 0.156 -6.015 530 HG13 ILE 65 1HG1 ILE 65 -1.167 -0.099 -4.372 531 HG21 ILE 65 1HG2 ILE 65 -1.374 -3.373 -4.723 532 HG22 ILE 65 2HG2 ILE 65 -3.098 -3.079 -4.949 533 HG23 ILE 65 3HG2 ILE 65 -2.193 -2.149 -3.754 534 HD11 ILE 65 3HD1 ILE 65 1.343 -0.705 -5.365 535 HD12 ILE 65 1HD1 ILE 65 0.530 -2.266 -5.233 536 HD13 ILE 65 2HD1 ILE 65 0.660 -1.217 -3.821 537 H HIS 66 H HIS 66 -1.674 -4.750 -6.875 538 HA HIS 66 HA HIS 66 -4.278 -4.720 -8.232 539 HB2 HIS 66 2HB HIS 66 -2.574 -5.408 -9.870 540 HB3 HIS 66 1HB HIS 66 -2.046 -6.688 -8.783 541 HD1 HIS 66 1HD HIS 66 -3.913 -6.348 -11.706 542 HD2 HIS 66 2HD HIS 66 -4.581 -8.364 -8.136 543 HE1 HIS 66 1HE HIS 66 -5.624 -8.111 -12.241 544 HE2 HIS 66 2HE HIS 66 -5.936 -9.383 -10.089 545 H LEU 67 H LEU 67 -5.698 -5.421 -6.785 546 HA LEU 67 HA LEU 67 -5.054 -6.897 -4.480 547 HB2 LEU 67 2HB LEU 67 -7.574 -6.103 -5.851 548 HB3 LEU 67 1HB LEU 67 -7.666 -7.356 -4.629 549 HG LEU 67 HG LEU 67 -8.174 -5.112 -3.737 550 HD11 LEU 67 1HD1 LEU 67 -5.610 -6.238 -2.627 551 HD12 LEU 67 2HD1 LEU 67 -7.215 -6.896 -2.312 552 HD13 LEU 67 3HD1 LEU 67 -6.807 -5.270 -1.766 553 HD21 LEU 67 3HD2 LEU 67 -6.848 -3.666 -5.039 554 HD22 LEU 67 1HD2 LEU 67 -5.369 -4.545 -4.653 555 HD23 LEU 67 2HD2 LEU 67 -6.173 -3.586 -3.412 556 H LYS 68 H LYS 68 -4.635 -8.978 -4.223 557 HA LYS 68 HA LYS 68 -5.413 -10.844 -6.358 558 HB2 LYS 68 2HB LYS 68 -3.238 -11.004 -4.268 559 HB3 LYS 68 1HB LYS 68 -3.655 -12.331 -5.343 560 HG2 LYS 68 2HG LYS 68 -3.073 -9.734 -6.621 561 HG3 LYS 68 1HG LYS 68 -1.716 -10.572 -5.866 562 HD2 LYS 68 2HD LYS 68 -1.570 -11.669 -7.819 563 HD3 LYS 68 1HD LYS 68 -2.942 -12.601 -7.219 564 HE2 LYS 68 2HE LYS 68 -4.345 -10.664 -8.265 565 HE3 LYS 68 1HE LYS 68 -2.883 -10.370 -9.205 566 HZ1 LYS 68 3HZ LYS 68 -3.129 -12.284 -10.360 567 HZ2 LYS 68 1HZ LYS 68 -4.761 -12.027 -10.001 568 HZ3 LYS 68 2HZ LYS 68 -3.854 -13.118 -9.081 569 H GLU 69 H GLU 69 -5.962 -13.070 -5.660 570 HA GLU 69 HA GLU 69 -7.996 -12.983 -3.646 571 HB2 GLU 69 2HB GLU 69 -7.202 -14.756 -5.802 572 HB3 GLU 69 1HB GLU 69 -7.605 -15.659 -4.349 573 HG2 GLU 69 2HG GLU 69 -9.661 -13.887 -4.469 574 HG3 GLU 69 1HG GLU 69 -9.327 -14.162 -6.178 575 H ALA 70 H ALA 70 -5.444 -15.431 -4.005 576 HA ALA 70 HA ALA 70 -4.324 -14.985 -1.431 577 HB1 ALA 70 1HB ALA 70 -6.600 -16.058 -0.950 578 HB2 ALA 70 2HB ALA 70 -5.181 -16.760 -0.176 579 HB3 ALA 70 3HB ALA 70 -5.889 -17.540 -1.590 580 H ILE 71 H ILE 71 -2.455 -15.058 -2.753 581 HA ILE 71 HA ILE 71 -1.754 -17.710 -3.813 582 HB ILE 71 HB ILE 71 0.158 -16.422 -4.918 583 HG12 ILE 71 2HG1 ILE 71 -1.638 -14.069 -4.287 584 HG13 ILE 71 1HG1 ILE 71 -0.108 -14.393 -3.479 585 HG21 ILE 71 1HG2 ILE 71 -2.706 -16.425 -5.607 586 HG22 ILE 71 2HG2 ILE 71 -1.318 -17.039 -6.505 587 HG23 ILE 71 3HG2 ILE 71 -1.692 -15.316 -6.529 588 HD11 ILE 71 3HD1 ILE 71 0.541 -12.874 -5.053 589 HD12 ILE 71 1HD1 ILE 71 -0.630 -13.440 -6.244 590 HD13 ILE 71 2HD1 ILE 71 0.827 -14.381 -5.922 591 H VAL 72 H VAL 72 -0.563 -18.925 -2.514 592 HA VAL 72 HA VAL 72 0.855 -17.870 -0.272 593 HB VAL 72 HB VAL 72 1.651 -20.185 0.062 594 HG11 VAL 72 1HG1 VAL 72 -0.843 -21.170 -0.057 595 HG12 VAL 72 2HG1 VAL 72 -1.194 -19.452 -0.240 596 HG13 VAL 72 3HG1 VAL 72 -0.311 -20.026 1.176 597 HG21 VAL 72 3HG2 VAL 72 0.246 -21.762 -1.654 598 HG22 VAL 72 1HG2 VAL 72 1.952 -21.354 -1.835 599 HG23 VAL 72 2HG2 VAL 72 0.728 -20.436 -2.713 600 H GLU 73 H GLU 73 2.756 -16.888 -0.367 601 HA GLU 73 HA GLU 73 4.482 -17.175 -2.659 602 HB2 GLU 73 2HB GLU 73 4.005 -15.153 -0.847 603 HB3 GLU 73 1HB GLU 73 5.582 -15.750 -0.348 604 HG2 GLU 73 2HG GLU 73 6.538 -15.279 -2.450 605 HG3 GLU 73 1HG GLU 73 4.960 -15.028 -3.193 606 H GLY 74 H GLY 74 5.425 -19.157 -2.730 607 HA2 GLY 74 2HA GLY 74 7.243 -20.546 -2.267 608 HA3 GLY 74 1HA GLY 74 7.491 -19.678 -0.760 Start of MODEL 11 1 H1 MET 1 1HT MET 1 -8.317 8.569 16.986 2 H2 MET 1 2HT MET 1 -8.270 6.898 16.597 3 H3 MET 1 3HT MET 1 -9.324 7.465 17.826 4 HA MET 1 HA MET 1 -10.338 6.931 15.635 5 HB2 MET 1 2HB MET 1 -10.607 9.375 17.298 6 HB3 MET 1 1HB MET 1 -11.480 9.366 15.771 7 HG2 MET 1 2HG MET 1 -11.727 7.006 17.557 8 HG3 MET 1 1HG MET 1 -12.575 8.488 17.992 9 HE1 MET 1 2HE MET 1 -13.953 5.273 15.368 10 HE2 MET 1 3HE MET 1 -14.311 5.553 17.072 11 HE3 MET 1 1HE MET 1 -12.642 5.341 16.543 12 H THR 2 H THR 2 -9.381 6.840 13.674 13 HA THR 2 HA THR 2 -8.432 9.373 12.502 14 HB THR 2 HB THR 2 -7.265 7.640 10.882 15 HG1 THR 2 1HG THR 2 -6.749 5.740 11.894 16 HG21 THR 2 3HG2 THR 2 -6.032 9.214 12.275 17 HG22 THR 2 1HG2 THR 2 -5.268 7.625 12.254 18 HG23 THR 2 2HG2 THR 2 -6.209 8.131 13.655 19 H ARG 3 H ARG 3 -9.072 9.926 10.430 20 HA ARG 3 HA ARG 3 -11.219 8.272 9.272 21 HB2 ARG 3 2HB ARG 3 -11.052 11.288 9.184 22 HB3 ARG 3 1HB ARG 3 -12.366 10.288 8.581 23 HG2 ARG 3 2HG ARG 3 -11.626 10.106 11.457 24 HG3 ARG 3 1HG ARG 3 -12.543 11.501 10.891 25 HD2 ARG 3 2HD ARG 3 -14.193 9.991 11.539 26 HD3 ARG 3 1HD ARG 3 -14.097 9.777 9.791 27 HE ARG 3 HE ARG 3 -12.359 7.943 10.964 28 HH11 ARG 3 1HH1 ARG 3 -15.787 8.585 10.832 29 HH12 ARG 3 2HH1 ARG 3 -16.234 6.925 11.042 30 HH21 ARG 3 1HH2 ARG 3 -12.944 5.758 11.238 31 HH22 ARG 3 2HH2 ARG 3 -14.620 5.319 11.271 32 H TRP 4 H TRP 4 -9.432 7.308 8.047 33 HA TRP 4 HA TRP 4 -9.090 8.690 5.523 34 HB2 TRP 4 2HB TRP 4 -7.150 9.405 6.962 35 HB3 TRP 4 1HB TRP 4 -6.645 7.719 7.015 36 HD1 TRP 4 HD TRP 4 -7.195 10.521 4.414 37 HE1 TRP 4 1HE TRP 4 -5.576 10.129 2.452 38 HE3 TRP 4 3HE TRP 4 -5.190 6.102 5.925 39 HZ2 TRP 4 2HZ TRP 4 -3.685 8.180 1.655 40 HZ3 TRP 4 3HZ TRP 4 -3.481 5.022 4.518 41 HH2 TRP 4 HH TRP 4 -2.744 6.045 2.421 42 H VAL 5 H VAL 5 -10.427 6.264 6.534 43 HA VAL 5 HA VAL 5 -9.080 4.321 4.778 44 HB VAL 5 HB VAL 5 -8.723 3.628 7.086 45 HG11 VAL 5 1HG1 VAL 5 -11.027 4.782 7.726 46 HG12 VAL 5 2HG1 VAL 5 -10.318 3.493 8.699 47 HG13 VAL 5 3HG1 VAL 5 -11.607 3.126 7.553 48 HG21 VAL 5 3HG2 VAL 5 -10.796 1.878 5.769 49 HG22 VAL 5 1HG2 VAL 5 -9.569 1.374 6.932 50 HG23 VAL 5 2HG2 VAL 5 -9.090 1.926 5.326 51 HA PRO 6 HA PRO 6 -13.392 4.633 3.289 52 HB2 PRO 6 2HB PRO 6 -12.864 4.979 0.706 53 HB3 PRO 6 1HB PRO 6 -12.638 6.306 1.854 54 HG2 PRO 6 2HG PRO 6 -10.602 4.506 0.613 55 HG3 PRO 6 1HG PRO 6 -10.510 6.244 0.943 56 HD2 PRO 6 2HD PRO 6 -9.427 4.236 2.545 57 HD3 PRO 6 1HD PRO 6 -9.745 5.902 3.059 58 H THR 7 H THR 7 -10.732 2.556 2.526 59 HA THR 7 HA THR 7 -11.658 0.817 0.646 60 HB THR 7 HB THR 7 -9.485 0.432 1.455 61 HG1 THR 7 1HG THR 7 -10.369 -1.540 1.022 62 HG21 THR 7 3HG2 THR 7 -9.012 1.039 3.538 63 HG22 THR 7 1HG2 THR 7 -9.558 -0.570 4.004 64 HG23 THR 7 2HG2 THR 7 -10.673 0.794 4.079 65 H LYS 8 H LYS 8 -13.482 -0.268 0.436 66 HA LYS 8 HA LYS 8 -14.666 -1.539 2.801 67 HB2 LYS 8 2HB LYS 8 -15.765 0.692 1.505 68 HB3 LYS 8 1HB LYS 8 -16.714 -0.678 0.945 69 HG2 LYS 8 2HG LYS 8 -16.444 -1.050 3.697 70 HG3 LYS 8 1HG LYS 8 -16.763 0.672 3.483 71 HD2 LYS 8 2HD LYS 8 -18.860 0.322 2.682 72 HD3 LYS 8 1HD LYS 8 -18.423 -1.198 1.900 73 HE2 LYS 8 2HE LYS 8 -18.126 -1.849 4.518 74 HE3 LYS 8 1HE LYS 8 -19.448 -0.685 4.605 75 HZ1 LYS 8 3HZ LYS 8 -19.592 -2.783 2.568 76 HZ2 LYS 8 1HZ LYS 8 -20.837 -2.033 3.435 77 HZ3 LYS 8 2HZ LYS 8 -19.888 -3.219 4.176 78 H ARG 9 H ARG 9 -15.709 -3.482 2.430 79 HA ARG 9 HA ARG 9 -15.809 -5.554 1.467 80 HB2 ARG 9 2HB ARG 9 -17.238 -5.658 -0.463 81 HB3 ARG 9 1HB ARG 9 -17.813 -4.374 0.590 82 HG2 ARG 9 2HG ARG 9 -15.942 -3.625 -1.585 83 HG3 ARG 9 1HG ARG 9 -17.588 -4.074 -2.031 84 HD2 ARG 9 2HD ARG 9 -17.712 -2.329 0.216 85 HD3 ARG 9 1HD ARG 9 -16.647 -1.608 -0.987 86 HE ARG 9 HE ARG 9 -18.443 -1.376 -2.424 87 HH11 ARG 9 1HH1 ARG 9 -19.399 -3.205 0.395 88 HH12 ARG 9 2HH1 ARG 9 -21.090 -3.084 0.050 89 HH21 ARG 9 1HH2 ARG 9 -20.666 -1.220 -2.874 90 HH22 ARG 9 2HH2 ARG 9 -21.810 -1.959 -1.804 91 H GLU 10 H GLU 10 -13.266 -4.214 1.098 92 HA GLU 10 HA GLU 10 -12.411 -4.951 -1.583 93 HB2 GLU 10 2HB GLU 10 -11.645 -2.925 0.012 94 HB3 GLU 10 1HB GLU 10 -10.426 -4.112 0.455 95 HG2 GLU 10 2HG GLU 10 -10.462 -4.229 -2.298 96 HG3 GLU 10 1HG GLU 10 -10.687 -2.515 -1.953 97 H GLU 11 H GLU 11 -10.187 -6.101 -1.662 98 HA GLU 11 HA GLU 11 -10.554 -8.689 -0.497 99 HB2 GLU 11 2HB GLU 11 -9.198 -7.658 -2.710 100 HB3 GLU 11 1HB GLU 11 -7.927 -8.260 -1.657 101 HG2 GLU 11 2HG GLU 11 -8.309 -10.252 -2.552 102 HG3 GLU 11 1HG GLU 11 -9.800 -10.280 -1.614 103 H LYS 12 H LYS 12 -8.028 -9.574 0.096 104 HA LYS 12 HA LYS 12 -7.599 -8.311 2.683 105 HB2 LYS 12 2HB LYS 12 -7.604 -10.940 1.854 106 HB3 LYS 12 1HB LYS 12 -5.888 -10.589 2.008 107 HG2 LYS 12 2HG LYS 12 -5.978 -10.482 4.247 108 HG3 LYS 12 1HG LYS 12 -7.546 -9.670 4.249 109 HD2 LYS 12 2HD LYS 12 -8.722 -11.655 4.174 110 HD3 LYS 12 1HD LYS 12 -7.380 -12.543 3.448 111 HE2 LYS 12 2HE LYS 12 -6.833 -11.456 6.118 112 HE3 LYS 12 1HE LYS 12 -8.104 -12.675 6.069 113 HZ1 LYS 12 3HZ LYS 12 -5.265 -12.940 5.313 114 HZ2 LYS 12 1HZ LYS 12 -6.423 -14.010 4.700 115 HZ3 LYS 12 2HZ LYS 12 -6.176 -13.897 6.369 116 H TYR 13 H TYR 13 -5.447 -9.549 0.120 117 HA TYR 13 HA TYR 13 -3.824 -7.136 0.351 118 HB2 TYR 13 2HB TYR 13 -1.803 -8.907 0.226 119 HB3 TYR 13 1HB TYR 13 -2.419 -8.263 1.742 120 HD1 TYR 13 2HD TYR 13 -3.452 -11.002 -0.595 121 HD2 TYR 13 1HD TYR 13 -2.543 -9.851 3.398 122 HE1 TYR 13 2HE TYR 13 -3.941 -13.288 0.169 123 HE2 TYR 13 1HE TYR 13 -3.030 -12.134 4.174 124 HH TYR 13 HH TYR 13 -3.167 -14.373 3.337 125 H GLY 14 H GLY 14 -2.113 -7.066 -1.375 126 HA2 GLY 14 2HA GLY 14 -2.836 -8.655 -3.739 127 HA3 GLY 14 1HA GLY 14 -2.855 -6.902 -3.852 128 H VAL 15 H VAL 15 -1.267 -6.975 -5.486 129 HA VAL 15 HA VAL 15 1.441 -7.532 -4.461 130 HB VAL 15 HB VAL 15 0.546 -7.879 -7.325 131 HG11 VAL 15 1HG1 VAL 15 2.739 -8.904 -7.648 132 HG12 VAL 15 2HG1 VAL 15 3.146 -8.576 -5.963 133 HG13 VAL 15 3HG1 VAL 15 2.893 -7.240 -7.086 134 HG21 VAL 15 3HG2 VAL 15 0.599 -9.730 -5.031 135 HG22 VAL 15 1HG2 VAL 15 1.273 -10.349 -6.538 136 HG23 VAL 15 2HG2 VAL 15 -0.388 -9.757 -6.492 137 H ALA 16 H ALA 16 3.106 -6.156 -5.167 138 HA ALA 16 HA ALA 16 2.205 -3.649 -6.427 139 HB1 ALA 16 1HB ALA 16 3.694 -4.091 -3.907 140 HB2 ALA 16 2HB ALA 16 2.548 -2.823 -4.340 141 HB3 ALA 16 3HB ALA 16 4.212 -2.742 -4.919 142 H PHE 17 H PHE 17 3.050 -3.826 -8.444 143 HA PHE 17 HA PHE 17 5.807 -4.763 -8.726 144 HB2 PHE 17 2HB PHE 17 5.227 -4.601 -11.224 145 HB3 PHE 17 1HB PHE 17 4.428 -5.856 -10.284 146 HD1 PHE 17 1HD PHE 17 2.061 -5.692 -9.749 147 HD2 PHE 17 2HD PHE 17 4.002 -2.740 -12.121 148 HE1 PHE 17 1HE PHE 17 -0.130 -4.851 -10.487 149 HE2 PHE 17 2HE PHE 17 1.816 -1.892 -12.862 150 HZ PHE 17 HZ PHE 17 -0.255 -2.947 -12.045 151 H TYR 18 H TYR 18 6.989 -3.017 -8.023 152 HA TYR 18 HA TYR 18 7.368 -0.920 -9.940 153 HB2 TYR 18 2HB TYR 18 5.504 -0.406 -7.929 154 HB3 TYR 18 1HB TYR 18 6.974 0.394 -7.380 155 HD1 TYR 18 2HD TYR 18 4.630 0.143 -10.249 156 HD2 TYR 18 1HD TYR 18 7.644 2.443 -8.319 157 HE1 TYR 18 2HE TYR 18 4.169 2.017 -11.775 158 HE2 TYR 18 1HE TYR 18 7.191 4.322 -9.839 159 HH TYR 18 HH TYR 18 5.244 3.997 -12.636 160 H ASN 19 H ASN 19 9.045 0.714 -9.008 161 HA ASN 19 HA ASN 19 11.037 -0.834 -7.486 162 HB2 ASN 19 2HB ASN 19 11.322 1.067 -9.795 163 HB3 ASN 19 1HB ASN 19 12.662 0.826 -8.679 164 HD21 ASN 19 1HD2 ASN 19 11.496 -0.107 -11.544 165 HD22 ASN 19 2HD2 ASN 19 12.160 -1.699 -11.650 166 H TYR 20 H TYR 20 9.305 0.407 -5.928 167 HA TYR 20 HA TYR 20 10.059 3.120 -5.339 168 HB2 TYR 20 2HB TYR 20 7.750 2.002 -5.007 169 HB3 TYR 20 1HB TYR 20 8.441 1.350 -3.526 170 HD1 TYR 20 2HD TYR 20 9.674 3.208 -2.035 171 HD2 TYR 20 1HD TYR 20 6.566 3.970 -4.839 172 HE1 TYR 20 2HE TYR 20 9.128 5.295 -0.855 173 HE2 TYR 20 1HE TYR 20 6.012 6.058 -3.667 174 HH TYR 20 HH TYR 20 8.040 7.403 -1.247 175 H ASP 21 H ASP 21 11.336 3.868 -3.726 176 HA ASP 21 HA ASP 21 12.602 1.894 -1.948 177 HB2 ASP 21 2HB ASP 21 14.157 2.487 -3.776 178 HB3 ASP 21 1HB ASP 21 14.013 4.186 -3.335 179 H ALA 22 H ALA 22 11.476 2.443 -0.133 180 HA ALA 22 HA ALA 22 10.702 4.986 0.677 181 HB1 ALA 22 1HB ALA 22 11.006 3.769 3.056 182 HB2 ALA 22 2HB ALA 22 11.021 2.365 1.988 183 HB3 ALA 22 3HB ALA 22 9.647 3.472 1.972 184 H ARG 23 H ARG 23 11.543 6.466 2.172 185 HA ARG 23 HA ARG 23 14.404 6.192 2.788 186 HB2 ARG 23 2HB ARG 23 13.616 7.806 0.803 187 HB3 ARG 23 1HB ARG 23 13.371 8.905 2.152 188 HG2 ARG 23 2HG ARG 23 15.649 8.847 2.746 189 HG3 ARG 23 1HG ARG 23 15.960 7.450 1.713 190 HD2 ARG 23 2HD ARG 23 14.853 9.600 0.162 191 HD3 ARG 23 1HD ARG 23 16.253 10.168 1.069 192 HE ARG 23 HE ARG 23 16.244 8.316 -1.129 193 HH11 ARG 23 1HH1 ARG 23 17.989 9.398 1.694 194 HH12 ARG 23 2HH1 ARG 23 19.521 8.832 1.118 195 HH21 ARG 23 1HH2 ARG 23 18.257 7.571 -1.888 196 HH22 ARG 23 2HH2 ARG 23 19.672 7.794 -0.916 197 H GLY 24 H GLY 24 11.986 5.778 4.400 198 HA2 GLY 24 2HA GLY 24 12.786 6.914 6.799 199 HA3 GLY 24 1HA GLY 24 11.585 8.002 6.122 200 H ALA 25 H ALA 25 10.877 7.054 8.440 201 HA ALA 25 HA ALA 25 9.590 4.510 8.390 202 HB1 ALA 25 1HB ALA 25 10.423 5.842 10.423 203 HB2 ALA 25 2HB ALA 25 8.899 4.967 10.570 204 HB3 ALA 25 3HB ALA 25 8.893 6.709 10.304 205 H ASP 26 H ASP 26 8.636 7.751 7.556 206 HA ASP 26 HA ASP 26 5.824 7.317 7.625 207 HB2 ASP 26 2HB ASP 26 7.647 9.450 6.668 208 HB3 ASP 26 1HB ASP 26 6.059 9.383 5.908 209 H GLU 27 H GLU 27 8.249 6.311 5.460 210 HA GLU 27 HA GLU 27 6.185 5.582 3.497 211 HB2 GLU 27 2HB GLU 27 8.618 7.166 3.088 212 HB3 GLU 27 1HB GLU 27 8.460 5.819 1.968 213 HG2 GLU 27 2HG GLU 27 6.771 6.775 0.857 214 HG3 GLU 27 1HG GLU 27 6.018 7.394 2.326 215 H LEU 28 H LEU 28 6.348 3.563 2.606 216 HA LEU 28 HA LEU 28 8.469 1.839 3.705 217 HB2 LEU 28 2HB LEU 28 6.239 1.252 4.496 218 HB3 LEU 28 1HB LEU 28 5.664 1.133 2.843 219 HG LEU 28 HG LEU 28 7.957 -0.595 3.478 220 HD11 LEU 28 1HD1 LEU 28 6.817 -0.816 5.579 221 HD12 LEU 28 2HD1 LEU 28 6.521 -2.264 4.616 222 HD13 LEU 28 3HD1 LEU 28 5.269 -1.032 4.764 223 HD21 LEU 28 3HD2 LEU 28 5.339 -1.465 2.344 224 HD22 LEU 28 1HD2 LEU 28 6.969 -2.016 1.961 225 HD23 LEU 28 2HD2 LEU 28 6.409 -0.448 1.379 226 H SER 29 H SER 29 9.739 0.711 2.350 227 HA SER 29 HA SER 29 9.807 1.386 -0.398 228 HB2 SER 29 2HB SER 29 11.669 -0.156 -0.556 229 HB3 SER 29 1HB SER 29 11.807 0.748 0.952 230 HG SER 29 HG SER 29 10.771 -1.880 0.656 231 H LEU 30 H LEU 30 9.468 0.080 -2.230 232 HA LEU 30 HA LEU 30 7.969 -2.402 -1.839 233 HB2 LEU 30 2HB LEU 30 6.967 0.096 -3.102 234 HB3 LEU 30 1HB LEU 30 6.534 -1.422 -3.863 235 HG LEU 30 HG LEU 30 5.996 -0.789 -0.963 236 HD11 LEU 30 1HD1 LEU 30 4.273 -0.465 -3.403 237 HD12 LEU 30 2HD1 LEU 30 4.683 0.744 -2.187 238 HD13 LEU 30 3HD1 LEU 30 3.613 -0.594 -1.773 239 HD21 LEU 30 3HD2 LEU 30 4.932 -2.799 -0.816 240 HD22 LEU 30 1HD2 LEU 30 6.159 -3.217 -2.012 241 HD23 LEU 30 2HD2 LEU 30 4.517 -2.833 -2.529 242 H GLN 31 H GLN 31 8.584 -3.954 -3.211 243 HA GLN 31 HA GLN 31 10.136 -3.156 -5.586 244 HB2 GLN 31 2HB GLN 31 10.533 -5.449 -3.675 245 HB3 GLN 31 1HB GLN 31 11.238 -5.454 -5.287 246 HG2 GLN 31 2HG GLN 31 12.039 -3.033 -4.409 247 HG3 GLN 31 1HG GLN 31 11.994 -3.932 -2.893 248 HE21 GLN 31 1HE2 GLN 31 14.243 -3.809 -2.714 249 HE22 GLN 31 2HE2 GLN 31 15.288 -4.789 -3.679 250 H ILE 32 H ILE 32 10.078 -4.687 -7.387 251 HA ILE 32 HA ILE 32 7.401 -5.464 -7.979 252 HB ILE 32 HB ILE 32 9.892 -6.173 -9.530 253 HG12 ILE 32 2HG1 ILE 32 8.096 -3.772 -9.913 254 HG13 ILE 32 1HG1 ILE 32 9.629 -3.713 -9.052 255 HG21 ILE 32 1HG2 ILE 32 8.559 -6.898 -11.194 256 HG22 ILE 32 2HG2 ILE 32 7.337 -5.662 -10.896 257 HG23 ILE 32 3HG2 ILE 32 7.385 -7.114 -9.896 258 HD11 ILE 32 3HD1 ILE 32 10.751 -3.510 -10.945 259 HD12 ILE 32 1HD1 ILE 32 9.203 -3.347 -11.773 260 HD13 ILE 32 2HD1 ILE 32 9.965 -4.932 -11.632 261 H GLY 33 H GLY 33 6.422 -7.391 -7.825 262 HA2 GLY 33 2HA GLY 33 6.321 -9.752 -7.826 263 HA3 GLY 33 1HA GLY 33 8.037 -9.804 -7.456 264 H ASP 34 H ASP 34 6.886 -7.533 -5.425 265 HA ASP 34 HA ASP 34 6.692 -9.453 -3.235 266 HB2 ASP 34 2HB ASP 34 7.215 -6.491 -3.367 267 HB3 ASP 34 1HB ASP 34 6.811 -7.282 -1.846 268 H THR 35 H THR 35 5.033 -9.325 -1.651 269 HA THR 35 HA THR 35 2.472 -8.498 -2.772 270 HB THR 35 HB THR 35 2.763 -9.874 -0.127 271 HG1 THR 35 1HG THR 35 2.983 -11.128 -2.659 272 HG21 THR 35 3HG2 THR 35 0.746 -11.041 -0.825 273 HG22 THR 35 1HG2 THR 35 0.769 -10.172 -2.360 274 HG23 THR 35 2HG2 THR 35 0.520 -9.292 -0.851 275 H VAL 36 H VAL 36 0.888 -7.403 -1.353 276 HA VAL 36 HA VAL 36 2.087 -5.758 0.747 277 HB VAL 36 HB VAL 36 0.860 -3.748 -0.208 278 HG11 VAL 36 1HG1 VAL 36 3.349 -4.975 -1.255 279 HG12 VAL 36 2HG1 VAL 36 3.111 -3.466 -0.373 280 HG13 VAL 36 3HG1 VAL 36 2.722 -3.555 -2.090 281 HG21 VAL 36 3HG2 VAL 36 0.799 -5.555 -2.619 282 HG22 VAL 36 1HG2 VAL 36 0.582 -3.806 -2.696 283 HG23 VAL 36 2HG2 VAL 36 -0.571 -4.799 -1.806 284 H HIS 37 H HIS 37 0.749 -5.295 2.404 285 HA HIS 37 HA HIS 37 -2.009 -6.296 2.207 286 HB2 HIS 37 2HB HIS 37 -0.494 -7.320 3.932 287 HB3 HIS 37 1HB HIS 37 -0.411 -5.746 4.718 288 HD1 HIS 37 1HD HIS 37 -3.256 -7.992 3.520 289 HD2 HIS 37 2HD HIS 37 -2.144 -5.662 6.776 290 HE1 HIS 37 1HE HIS 37 -5.133 -8.215 5.179 291 HE2 HIS 37 2HE HIS 37 -4.468 -6.748 7.115 292 H ILE 38 H ILE 38 -3.370 -4.693 1.734 293 HA ILE 38 HA ILE 38 -2.845 -1.979 2.579 294 HB ILE 38 HB ILE 38 -5.289 -3.003 1.144 295 HG12 ILE 38 2HG1 ILE 38 -3.370 -1.657 -0.548 296 HG13 ILE 38 1HG1 ILE 38 -2.631 -3.059 0.221 297 HG21 ILE 38 1HG2 ILE 38 -5.428 -0.757 2.167 298 HG22 ILE 38 2HG2 ILE 38 -5.553 -0.725 0.408 299 HG23 ILE 38 3HG2 ILE 38 -4.044 -0.260 1.192 300 HD11 ILE 38 3HD1 ILE 38 -4.923 -4.167 -0.583 301 HD12 ILE 38 1HD1 ILE 38 -3.476 -4.096 -1.588 302 HD13 ILE 38 2HD1 ILE 38 -4.762 -2.909 -1.808 303 H LEU 39 H LEU 39 -3.721 -0.951 4.250 304 HA LEU 39 HA LEU 39 -5.929 -2.262 5.697 305 HB2 LEU 39 2HB LEU 39 -4.968 -1.003 7.714 306 HB3 LEU 39 1HB LEU 39 -4.127 -2.437 7.160 307 HG LEU 39 HG LEU 39 -2.616 -0.819 5.849 308 HD11 LEU 39 1HD1 LEU 39 -3.204 1.323 5.911 309 HD12 LEU 39 2HD1 LEU 39 -2.694 1.334 7.598 310 HD13 LEU 39 3HD1 LEU 39 -4.383 1.036 7.189 311 HD21 LEU 39 3HD2 LEU 39 -1.122 -0.660 7.668 312 HD22 LEU 39 1HD2 LEU 39 -2.075 -2.116 7.953 313 HD23 LEU 39 2HD2 LEU 39 -2.436 -0.637 8.843 314 H GLU 40 H GLU 40 -4.538 0.733 4.545 315 HA GLU 40 HA GLU 40 -7.133 2.050 4.959 316 HB2 GLU 40 2HB GLU 40 -4.467 2.883 5.914 317 HB3 GLU 40 1HB GLU 40 -5.393 4.146 5.113 318 HG2 GLU 40 2HG GLU 40 -6.890 4.298 6.782 319 HG3 GLU 40 1HG GLU 40 -6.857 2.568 7.118 320 H THR 41 H THR 41 -7.791 3.411 3.296 321 HA THR 41 HA THR 41 -5.971 3.617 0.995 322 HB THR 41 HB THR 41 -8.174 3.444 -0.389 323 HG1 THR 41 1HG THR 41 -9.851 2.605 0.585 324 HG21 THR 41 3HG2 THR 41 -8.016 0.777 0.165 325 HG22 THR 41 1HG2 THR 41 -6.424 1.362 0.650 326 HG23 THR 41 2HG2 THR 41 -7.007 1.648 -0.991 327 H TYR 42 H TYR 42 -7.168 5.162 -0.711 328 HA TYR 42 HA TYR 42 -8.780 7.257 0.151 329 HB2 TYR 42 2HB TYR 42 -6.534 7.542 1.536 330 HB3 TYR 42 1HB TYR 42 -5.984 8.302 0.047 331 HD1 TYR 42 2HD TYR 42 -8.889 8.407 2.399 332 HD2 TYR 42 1HD TYR 42 -6.310 10.575 -0.200 333 HE1 TYR 42 2HE TYR 42 -9.982 10.504 3.073 334 HE2 TYR 42 1HE TYR 42 -7.396 12.677 0.467 335 HH TYR 42 HH TYR 42 -9.604 13.394 1.403 336 H GLU 43 H GLU 43 -8.325 5.663 -2.176 337 HA GLU 43 HA GLU 43 -8.233 5.824 -4.445 338 HB2 GLU 43 2HB GLU 43 -8.896 8.655 -3.671 339 HB3 GLU 43 1HB GLU 43 -8.712 8.187 -5.355 340 HG2 GLU 43 2HG GLU 43 -10.675 7.100 -5.405 341 HG3 GLU 43 1HG GLU 43 -10.492 6.474 -3.767 342 H GLY 44 H GLY 44 -6.139 5.257 -4.891 343 HA2 GLY 44 2HA GLY 44 -4.031 5.563 -5.766 344 HA3 GLY 44 1HA GLY 44 -4.444 7.256 -5.994 345 H TRP 45 H TRP 45 -4.491 5.541 -2.931 346 HA TRP 45 HA TRP 45 -1.958 6.236 -1.993 347 HB2 TRP 45 2HB TRP 45 -3.362 8.510 -2.281 348 HB3 TRP 45 1HB TRP 45 -3.902 8.052 -0.675 349 HD1 TRP 45 HD TRP 45 -2.701 10.316 0.168 350 HE1 TRP 45 1HE TRP 45 -0.263 10.795 0.822 351 HE3 TRP 45 3HE TRP 45 -0.426 6.276 -2.034 352 HZ2 TRP 45 2HZ TRP 45 2.270 9.636 0.464 353 HZ3 TRP 45 3HZ TRP 45 2.008 6.051 -1.822 354 HH2 TRP 45 HH TRP 45 3.330 7.694 -0.599 355 H TYR 46 H TYR 46 -2.172 4.147 -1.140 356 HA TYR 46 HA TYR 46 -4.030 3.935 1.138 357 HB2 TYR 46 2HB TYR 46 -2.974 1.506 -0.262 358 HB3 TYR 46 1HB TYR 46 -4.462 1.700 0.654 359 HD1 TYR 46 2HD TYR 46 -5.475 4.199 -0.750 360 HD2 TYR 46 1HD TYR 46 -3.837 0.570 -2.245 361 HE1 TYR 46 2HE TYR 46 -6.726 4.505 -2.843 362 HE2 TYR 46 1HE TYR 46 -5.083 0.866 -4.343 363 HH TYR 46 HH TYR 46 -7.550 3.223 -4.701 364 H ARG 47 H ARG 47 -3.306 2.971 3.028 365 HA ARG 47 HA ARG 47 -0.385 2.844 3.298 366 HB2 ARG 47 2HB ARG 47 -1.577 4.474 4.732 367 HB3 ARG 47 1HB ARG 47 -2.495 3.155 5.442 368 HG2 ARG 47 2HG ARG 47 -0.368 2.172 6.248 369 HG3 ARG 47 1HG ARG 47 0.475 3.597 5.642 370 HD2 ARG 47 2HD ARG 47 -1.362 4.840 7.093 371 HD3 ARG 47 1HD ARG 47 -1.353 3.309 7.967 372 HE ARG 47 HE ARG 47 1.272 4.386 7.528 373 HH11 ARG 47 1HH1 ARG 47 -1.525 4.461 9.616 374 HH12 ARG 47 2HH1 ARG 47 -0.634 4.997 11.000 375 HH21 ARG 47 1HH2 ARG 47 2.445 5.091 9.348 376 HH22 ARG 47 2HH2 ARG 47 1.620 5.355 10.848 377 H GLY 48 H GLY 48 0.580 1.135 4.490 378 HA2 GLY 48 2HA GLY 48 -0.649 -0.987 5.734 379 HA3 GLY 48 1HA GLY 48 -0.649 -1.406 4.028 380 H TYR 49 H TYR 49 0.686 -3.218 4.674 381 HA TYR 49 HA TYR 49 3.507 -2.499 4.577 382 HB2 TYR 49 2HB TYR 49 4.013 -4.170 6.405 383 HB3 TYR 49 1HB TYR 49 3.236 -2.683 6.939 384 HD1 TYR 49 1HD TYR 49 0.814 -2.709 7.534 385 HD2 TYR 49 2HD TYR 49 2.966 -6.283 6.701 386 HE1 TYR 49 1HE TYR 49 -0.956 -4.022 8.625 387 HE2 TYR 49 2HE TYR 49 1.201 -7.606 7.789 388 HH TYR 49 HH TYR 49 -1.829 -6.252 8.674 389 H THR 50 H THR 50 4.872 -4.185 3.839 390 HA THR 50 HA THR 50 3.539 -6.011 2.054 391 HB THR 50 HB THR 50 6.077 -6.702 1.720 392 HG1 THR 50 1HG THR 50 7.439 -4.967 2.218 393 HG21 THR 50 3HG2 THR 50 4.430 -4.647 0.577 394 HG22 THR 50 1HG2 THR 50 5.638 -5.680 -0.188 395 HG23 THR 50 2HG2 THR 50 6.127 -4.167 0.574 396 H LEU 51 H LEU 51 3.886 -8.297 2.002 397 HA LEU 51 HA LEU 51 3.508 -9.572 4.465 398 HB2 LEU 51 2HB LEU 51 3.955 -10.428 1.670 399 HB3 LEU 51 1HB LEU 51 4.317 -11.620 2.904 400 HG LEU 51 HG LEU 51 2.037 -11.863 2.040 401 HD11 LEU 51 1HD1 LEU 51 1.952 -10.860 4.874 402 HD12 LEU 51 2HD1 LEU 51 2.650 -12.412 4.413 403 HD13 LEU 51 3HD1 LEU 51 0.937 -12.094 4.128 404 HD21 LEU 51 3HD2 LEU 51 1.910 -8.986 2.762 405 HD22 LEU 51 1HD2 LEU 51 0.460 -9.961 3.005 406 HD23 LEU 51 2HD2 LEU 51 1.190 -9.849 1.402 407 H ARG 52 H ARG 52 6.406 -8.883 2.640 408 HA ARG 52 HA ARG 52 8.127 -10.665 4.030 409 HB2 ARG 52 2HB ARG 52 8.548 -8.270 2.274 410 HB3 ARG 52 1HB ARG 52 9.905 -8.973 3.142 411 HG2 ARG 52 2HG ARG 52 9.432 -11.141 2.066 412 HG3 ARG 52 1HG ARG 52 8.139 -10.371 1.143 413 HD2 ARG 52 2HD ARG 52 9.582 -9.272 -0.221 414 HD3 ARG 52 1HD ARG 52 10.799 -9.079 1.042 415 HE ARG 52 HE ARG 52 10.651 -11.170 -0.889 416 HH11 ARG 52 1HH1 ARG 52 11.626 -10.457 2.386 417 HH12 ARG 52 2HH1 ARG 52 12.804 -11.725 2.443 418 HH21 ARG 52 1HH2 ARG 52 12.201 -12.837 -0.815 419 HH22 ARG 52 2HH2 ARG 52 13.131 -13.077 0.627 420 H LYS 53 H LYS 53 7.878 -7.108 4.214 421 HA LYS 53 HA LYS 53 9.040 -7.234 6.905 422 HB2 LYS 53 2HB LYS 53 9.247 -4.718 6.585 423 HB3 LYS 53 1HB LYS 53 10.254 -5.726 5.552 424 HG2 LYS 53 2HG LYS 53 8.857 -5.355 3.675 425 HG3 LYS 53 1HG LYS 53 7.601 -4.621 4.672 426 HD2 LYS 53 2HD LYS 53 8.515 -2.661 4.104 427 HD3 LYS 53 1HD LYS 53 9.809 -3.076 5.229 428 HE2 LYS 53 2HE LYS 53 9.752 -3.576 2.256 429 HE3 LYS 53 1HE LYS 53 10.772 -2.426 3.120 430 HZ1 LYS 53 3HZ LYS 53 11.451 -4.656 4.362 431 HZ2 LYS 53 1HZ LYS 53 12.234 -4.121 2.960 432 HZ3 LYS 53 2HZ LYS 53 11.038 -5.315 2.861 433 H LYS 54 H LYS 54 7.150 -7.909 7.989 434 HA LYS 54 HA LYS 54 4.700 -6.456 7.812 435 HB2 LYS 54 2HB LYS 54 5.767 -8.609 9.597 436 HB3 LYS 54 1HB LYS 54 4.299 -7.758 10.055 437 HG2 LYS 54 2HG LYS 54 3.061 -8.792 8.499 438 HG3 LYS 54 1HG LYS 54 4.341 -8.719 7.286 439 HD2 LYS 54 2HD LYS 54 5.493 -10.575 8.450 440 HD3 LYS 54 1HD LYS 54 4.133 -10.679 9.570 441 HE2 LYS 54 2HE LYS 54 2.658 -11.380 7.873 442 HE3 LYS 54 1HE LYS 54 3.776 -10.904 6.596 443 HZ1 LYS 54 3HZ LYS 54 3.531 -13.389 7.293 444 HZ2 LYS 54 1HZ LYS 54 4.619 -12.956 8.515 445 HZ3 LYS 54 2HZ LYS 54 5.049 -12.760 6.891 446 H SER 55 H SER 55 7.561 -6.247 9.799 447 HA SER 55 HA SER 55 6.505 -4.676 11.887 448 HB2 SER 55 2HB SER 55 9.331 -4.833 10.815 449 HB3 SER 55 1HB SER 55 8.872 -4.070 12.336 450 HG SER 55 HG SER 55 8.001 -6.168 12.935 451 H LYS 56 H LYS 56 8.269 -3.751 8.937 452 HA LYS 56 HA LYS 56 7.999 -0.953 9.407 453 HB2 LYS 56 2HB LYS 56 9.272 -2.664 7.472 454 HB3 LYS 56 1HB LYS 56 8.399 -1.381 6.646 455 HG2 LYS 56 2HG LYS 56 9.632 0.049 8.562 456 HG3 LYS 56 1HG LYS 56 10.801 -1.254 8.338 457 HD2 LYS 56 2HD LYS 56 9.679 0.058 5.916 458 HD3 LYS 56 1HD LYS 56 10.868 0.949 6.868 459 HE2 LYS 56 2HE LYS 56 11.566 -1.851 6.324 460 HE3 LYS 56 1HE LYS 56 11.469 -0.824 4.895 461 HZ1 LYS 56 3HZ LYS 56 12.918 0.266 7.172 462 HZ2 LYS 56 1HZ LYS 56 13.265 0.363 5.518 463 HZ3 LYS 56 2HZ LYS 56 13.650 -1.039 6.382 464 H LYS 57 H LYS 57 6.656 0.543 8.382 465 HA LYS 57 HA LYS 57 4.397 -0.519 6.844 466 HB2 LYS 57 2HB LYS 57 4.294 0.809 9.489 467 HB3 LYS 57 1HB LYS 57 3.113 1.355 8.306 468 HG2 LYS 57 2HG LYS 57 2.302 -0.919 8.035 469 HG3 LYS 57 1HG LYS 57 3.512 -1.498 9.181 470 HD2 LYS 57 2HD LYS 57 1.478 -1.300 10.384 471 HD3 LYS 57 1HD LYS 57 2.487 0.063 10.874 472 HE2 LYS 57 2HE LYS 57 1.236 1.299 8.939 473 HE3 LYS 57 1HE LYS 57 0.037 0.027 9.166 474 HZ1 LYS 57 3HZ LYS 57 0.033 2.302 10.532 475 HZ2 LYS 57 1HZ LYS 57 0.957 1.350 11.582 476 HZ3 LYS 57 2HZ LYS 57 -0.601 0.858 11.142 477 H GLY 58 H GLY 58 3.431 0.954 5.420 478 HA2 GLY 58 2HA GLY 58 4.196 3.705 5.324 479 HA3 GLY 58 1HA GLY 58 5.052 2.758 4.121 480 H ILE 59 H ILE 59 3.721 4.539 2.919 481 HA ILE 59 HA ILE 59 1.134 3.350 2.150 482 HB ILE 59 HB ILE 59 0.679 5.746 1.256 483 HG12 ILE 59 2HG1 ILE 59 2.827 6.280 3.324 484 HG13 ILE 59 1HG1 ILE 59 2.921 6.646 1.604 485 HG21 ILE 59 1HG2 ILE 59 -0.810 5.333 2.875 486 HG22 ILE 59 2HG2 ILE 59 0.237 6.328 3.886 487 HG23 ILE 59 3HG2 ILE 59 0.391 4.571 3.919 488 HD11 ILE 59 3HD1 ILE 59 1.407 8.024 3.756 489 HD12 ILE 59 1HD1 ILE 59 0.790 8.075 2.105 490 HD13 ILE 59 2HD1 ILE 59 2.402 8.695 2.464 491 H PHE 60 H PHE 60 0.544 3.489 -0.089 492 HA PHE 60 HA PHE 60 2.633 4.178 -1.992 493 HB2 PHE 60 2HB PHE 60 2.474 1.958 -3.114 494 HB3 PHE 60 1HB PHE 60 3.191 1.878 -1.509 495 HD1 PHE 60 1HD PHE 60 -0.153 1.594 -3.145 496 HD2 PHE 60 2HD PHE 60 2.474 0.224 -0.089 497 HE1 PHE 60 1HE PHE 60 -1.804 -0.106 -2.493 498 HE2 PHE 60 2HE PHE 60 0.826 -1.483 0.565 499 HZ PHE 60 HZ PHE 60 -1.316 -1.647 -0.643 500 HA PRO 61 HA PRO 61 -0.933 5.235 -4.386 501 HB2 PRO 61 2HB PRO 61 0.147 5.507 -6.822 502 HB3 PRO 61 1HB PRO 61 0.560 6.608 -5.502 503 HG2 PRO 61 2HG PRO 61 2.094 4.282 -6.581 504 HG3 PRO 61 1HG PRO 61 2.686 5.873 -6.073 505 HD2 PRO 61 2HD PRO 61 2.805 3.599 -4.519 506 HD3 PRO 61 1HD PRO 61 2.809 5.252 -3.877 507 H ALA 62 H ALA 62 -2.542 4.271 -5.506 508 HA ALA 62 HA ALA 62 -2.447 1.479 -5.981 509 HB1 ALA 62 1HB ALA 62 -4.679 1.628 -6.131 510 HB2 ALA 62 2HB ALA 62 -4.616 2.953 -7.292 511 HB3 ALA 62 3HB ALA 62 -4.436 3.282 -5.569 512 H SER 63 H SER 63 -1.342 4.041 -7.862 513 HA SER 63 HA SER 63 -2.031 3.487 -10.450 514 HB2 SER 63 2HB SER 63 0.385 4.290 -10.975 515 HB3 SER 63 1HB SER 63 -0.721 5.395 -10.159 516 HG SER 63 HG SER 63 0.886 5.509 -8.790 517 H TYR 64 H TYR 64 0.016 1.568 -8.383 518 HA TYR 64 HA TYR 64 0.338 -0.325 -10.602 519 HB2 TYR 64 2HB TYR 64 2.652 -0.811 -9.895 520 HB3 TYR 64 1HB TYR 64 2.457 0.849 -10.446 521 HD1 TYR 64 2HD TYR 64 2.879 -1.284 -7.456 522 HD2 TYR 64 1HD TYR 64 2.879 2.684 -8.991 523 HE1 TYR 64 2HE TYR 64 3.866 -0.479 -5.355 524 HE2 TYR 64 1HE TYR 64 3.872 3.499 -6.895 525 HH TYR 64 HH TYR 64 5.343 2.402 -5.003 526 H ILE 65 H ILE 65 -1.481 -0.254 -8.297 527 HA ILE 65 HA ILE 65 -0.524 -2.610 -6.814 528 HB ILE 65 HB ILE 65 -2.809 -0.786 -6.065 529 HG12 ILE 65 2HG1 ILE 65 -0.679 0.422 -5.986 530 HG13 ILE 65 1HG1 ILE 65 -1.291 0.128 -4.361 531 HG21 ILE 65 1HG2 ILE 65 -1.479 -2.426 -4.026 532 HG22 ILE 65 2HG2 ILE 65 -2.371 -3.336 -5.245 533 HG23 ILE 65 3HG2 ILE 65 -3.193 -2.104 -4.286 534 HD11 ILE 65 3HD1 ILE 65 0.515 -1.032 -3.793 535 HD12 ILE 65 1HD1 ILE 65 1.249 -0.391 -5.262 536 HD13 ILE 65 2HD1 ILE 65 0.480 -1.978 -5.279 537 H HIS 66 H HIS 66 -1.531 -4.513 -6.992 538 HA HIS 66 HA HIS 66 -4.175 -4.614 -8.258 539 HB2 HIS 66 2HB HIS 66 -2.455 -5.060 -9.990 540 HB3 HIS 66 1HB HIS 66 -1.852 -6.398 -9.018 541 HD1 HIS 66 1HD HIS 66 -4.312 -5.564 -11.577 542 HD2 HIS 66 2HD HIS 66 -3.787 -8.564 -8.749 543 HE1 HIS 66 1HE HIS 66 -5.836 -7.436 -12.288 544 HE2 HIS 66 2HE HIS 66 -5.568 -9.201 -10.512 545 H LEU 67 H LEU 67 -5.488 -5.565 -6.857 546 HA LEU 67 HA LEU 67 -4.636 -7.074 -4.642 547 HB2 LEU 67 2HB LEU 67 -7.387 -7.173 -5.862 548 HB3 LEU 67 1HB LEU 67 -6.944 -7.457 -4.189 549 HG LEU 67 HG LEU 67 -6.919 -4.815 -5.644 550 HD11 LEU 67 1HD1 LEU 67 -9.029 -6.051 -4.546 551 HD12 LEU 67 2HD1 LEU 67 -8.823 -4.299 -4.551 552 HD13 LEU 67 3HD1 LEU 67 -8.387 -5.233 -3.121 553 HD21 LEU 67 3HD2 LEU 67 -6.177 -5.294 -2.769 554 HD22 LEU 67 1HD2 LEU 67 -6.052 -3.797 -3.689 555 HD23 LEU 67 2HD2 LEU 67 -4.986 -5.150 -4.062 556 H LYS 68 H LYS 68 -4.744 -9.274 -4.191 557 HA LYS 68 HA LYS 68 -4.773 -11.003 -6.570 558 HB2 LYS 68 2HB LYS 68 -3.064 -10.860 -4.204 559 HB3 LYS 68 1HB LYS 68 -3.645 -12.487 -4.528 560 HG2 LYS 68 2HG LYS 68 -2.780 -12.315 -6.825 561 HG3 LYS 68 1HG LYS 68 -2.145 -10.714 -6.442 562 HD2 LYS 68 2HD LYS 68 -0.275 -11.951 -6.028 563 HD3 LYS 68 1HD LYS 68 -1.034 -12.053 -4.438 564 HE2 LYS 68 2HE LYS 68 -1.361 -14.101 -6.628 565 HE3 LYS 68 1HE LYS 68 -0.210 -14.235 -5.300 566 HZ1 LYS 68 3HZ LYS 68 -2.051 -15.449 -4.603 567 HZ2 LYS 68 1HZ LYS 68 -3.161 -14.314 -5.189 568 HZ3 LYS 68 2HZ LYS 68 -2.244 -13.966 -3.812 569 H GLU 69 H GLU 69 -5.080 -13.456 -5.524 570 HA GLU 69 HA GLU 69 -7.875 -13.499 -4.870 571 HB2 GLU 69 2HB GLU 69 -6.263 -15.203 -6.221 572 HB3 GLU 69 1HB GLU 69 -6.306 -15.997 -4.653 573 HG2 GLU 69 2HG GLU 69 -8.907 -15.576 -4.935 574 HG3 GLU 69 1HG GLU 69 -8.463 -15.595 -6.641 575 H ALA 70 H ALA 70 -8.225 -12.697 -2.841 576 HA ALA 70 HA ALA 70 -6.665 -13.229 -0.570 577 HB1 ALA 70 1HB ALA 70 -8.498 -12.315 0.714 578 HB2 ALA 70 2HB ALA 70 -9.594 -12.518 -0.652 579 HB3 ALA 70 3HB ALA 70 -8.268 -11.361 -0.750 580 H ILE 71 H ILE 71 -6.314 -15.156 0.302 581 HA ILE 71 HA ILE 71 -8.458 -17.167 0.234 582 HB ILE 71 HB ILE 71 -6.692 -18.819 0.735 583 HG12 ILE 71 2HG1 ILE 71 -4.378 -17.325 0.019 584 HG13 ILE 71 1HG1 ILE 71 -5.182 -16.457 1.322 585 HG21 ILE 71 1HG2 ILE 71 -6.969 -18.901 -1.497 586 HG22 ILE 71 2HG2 ILE 71 -5.357 -18.187 -1.522 587 HG23 ILE 71 3HG2 ILE 71 -6.779 -17.158 -1.692 588 HD11 ILE 71 3HD1 ILE 71 -3.517 -18.724 1.487 589 HD12 ILE 71 1HD1 ILE 71 -5.138 -19.224 1.972 590 HD13 ILE 71 2HD1 ILE 71 -4.350 -17.876 2.791 591 H VAL 72 H VAL 72 -9.522 -17.609 2.043 592 HA VAL 72 HA VAL 72 -8.180 -17.514 4.615 593 HB VAL 72 HB VAL 72 -8.987 -15.210 4.352 594 HG11 VAL 72 1HG1 VAL 72 -11.055 -14.628 3.681 595 HG12 VAL 72 2HG1 VAL 72 -11.825 -15.945 4.566 596 HG13 VAL 72 3HG1 VAL 72 -11.080 -16.253 2.998 597 HG21 VAL 72 3HG2 VAL 72 -10.526 -16.816 6.389 598 HG22 VAL 72 1HG2 VAL 72 -10.273 -15.071 6.442 599 HG23 VAL 72 2HG2 VAL 72 -8.897 -16.167 6.582 600 H GLU 73 H GLU 73 -9.293 -18.633 6.267 601 HA GLU 73 HA GLU 73 -10.729 -20.888 5.429 602 HB2 GLU 73 2HB GLU 73 -10.143 -19.641 8.083 603 HB3 GLU 73 1HB GLU 73 -11.316 -20.949 7.996 604 HG2 GLU 73 2HG GLU 73 -9.739 -22.508 7.395 605 HG3 GLU 73 1HG GLU 73 -8.644 -21.299 6.728 606 H GLY 74 H GLY 74 -12.809 -21.198 4.967 607 HA2 GLY 74 2HA GLY 74 -15.079 -20.878 4.843 608 HA3 GLY 74 1HA GLY 74 -14.952 -19.964 6.339 Start of MODEL 12 1 H1 MET 1 1HT MET 1 -10.182 7.149 14.269 2 H2 MET 1 2HT MET 1 -9.346 8.406 13.456 3 H3 MET 1 3HT MET 1 -8.626 7.626 14.805 4 HA MET 1 HA MET 1 -7.610 6.807 12.889 5 HB2 MET 1 2HB MET 1 -8.782 5.303 14.829 6 HB3 MET 1 1HB MET 1 -9.477 4.574 13.388 7 HG2 MET 1 2HG MET 1 -6.965 4.591 12.591 8 HG3 MET 1 1HG MET 1 -6.663 4.621 14.326 9 HE1 MET 1 2HE MET 1 -6.236 0.999 14.733 10 HE2 MET 1 3HE MET 1 -5.871 2.656 15.215 11 HE3 MET 1 1HE MET 1 -5.328 2.054 13.648 12 H THR 2 H THR 2 -10.857 7.584 12.437 13 HA THR 2 HA THR 2 -11.043 6.210 9.862 14 HB THR 2 HB THR 2 -13.387 7.052 9.857 15 HG1 THR 2 1HG THR 2 -12.816 7.933 12.487 16 HG21 THR 2 3HG2 THR 2 -14.271 5.600 11.489 17 HG22 THR 2 1HG2 THR 2 -12.807 5.692 12.469 18 HG23 THR 2 2HG2 THR 2 -12.778 4.858 10.915 19 H ARG 3 H ARG 3 -9.160 8.378 10.214 20 HA ARG 3 HA ARG 3 -10.338 10.604 8.744 21 HB2 ARG 3 2HB ARG 3 -8.180 11.718 9.110 22 HB3 ARG 3 1HB ARG 3 -8.867 11.134 10.619 23 HG2 ARG 3 2HG ARG 3 -7.305 9.028 9.826 24 HG3 ARG 3 1HG ARG 3 -6.369 10.428 9.302 25 HD2 ARG 3 2HD ARG 3 -7.427 9.918 12.080 26 HD3 ARG 3 1HD ARG 3 -5.749 9.776 11.561 27 HE ARG 3 HE ARG 3 -6.371 12.332 10.942 28 HH11 ARG 3 1HH1 ARG 3 -6.673 10.444 13.860 29 HH12 ARG 3 2HH1 ARG 3 -6.477 11.806 14.911 30 HH21 ARG 3 1HH2 ARG 3 -6.114 14.126 12.322 31 HH22 ARG 3 2HH2 ARG 3 -6.162 13.898 14.039 32 H TRP 4 H TRP 4 -10.473 8.474 7.169 33 HA TRP 4 HA TRP 4 -9.066 9.201 4.865 34 HB2 TRP 4 2HB TRP 4 -7.472 7.713 6.598 35 HB3 TRP 4 1HB TRP 4 -8.017 6.550 5.396 36 HD1 TRP 4 HD TRP 4 -7.628 9.957 3.912 37 HE1 TRP 4 1HE TRP 4 -5.456 10.067 2.536 38 HE3 TRP 4 3HE TRP 4 -5.506 5.639 5.484 39 HZ2 TRP 4 2HZ TRP 4 -3.122 8.488 2.172 40 HZ3 TRP 4 3HZ TRP 4 -3.303 4.979 4.594 41 HH2 TRP 4 HH TRP 4 -2.138 6.384 2.966 42 H VAL 5 H VAL 5 -9.016 6.940 3.373 43 HA VAL 5 HA VAL 5 -11.843 6.205 3.326 44 HB VAL 5 HB VAL 5 -9.722 5.650 1.249 45 HG11 VAL 5 1HG1 VAL 5 -11.519 5.131 -0.235 46 HG12 VAL 5 2HG1 VAL 5 -12.720 5.629 0.957 47 HG13 VAL 5 3HG1 VAL 5 -11.746 4.184 1.234 48 HG21 VAL 5 3HG2 VAL 5 -10.450 7.572 0.071 49 HG22 VAL 5 1HG2 VAL 5 -10.173 8.088 1.735 50 HG23 VAL 5 2HG2 VAL 5 -11.818 7.809 1.159 51 HA PRO 6 HA PRO 6 -10.978 2.154 4.946 52 HB2 PRO 6 2HB PRO 6 -13.279 0.918 4.251 53 HB3 PRO 6 1HB PRO 6 -13.204 2.115 5.551 54 HG2 PRO 6 2HG PRO 6 -14.073 2.468 2.705 55 HG3 PRO 6 1HG PRO 6 -14.844 3.061 4.187 56 HD2 PRO 6 2HD PRO 6 -13.291 4.636 2.638 57 HD3 PRO 6 1HD PRO 6 -13.367 4.822 4.401 58 H THR 7 H THR 7 -10.215 0.192 4.233 59 HA THR 7 HA THR 7 -9.743 -0.029 1.381 60 HB THR 7 HB THR 7 -8.083 -1.609 1.898 61 HG1 THR 7 1HG THR 7 -9.490 -1.995 4.319 62 HG21 THR 7 3HG2 THR 7 -8.005 0.782 3.211 63 HG22 THR 7 1HG2 THR 7 -6.677 -0.373 3.093 64 HG23 THR 7 2HG2 THR 7 -7.727 -0.379 4.510 65 H LYS 8 H LYS 8 -12.328 -0.306 1.534 66 HA LYS 8 HA LYS 8 -13.126 -3.053 1.956 67 HB2 LYS 8 2HB LYS 8 -14.484 -0.489 1.371 68 HB3 LYS 8 1HB LYS 8 -15.269 -1.933 0.745 69 HG2 LYS 8 2HG LYS 8 -15.821 -2.699 2.803 70 HG3 LYS 8 1HG LYS 8 -14.390 -2.002 3.569 71 HD2 LYS 8 2HD LYS 8 -15.394 0.011 3.924 72 HD3 LYS 8 1HD LYS 8 -16.407 -0.117 2.485 73 HE2 LYS 8 2HE LYS 8 -16.850 -1.902 4.850 74 HE3 LYS 8 1HE LYS 8 -17.520 -0.273 4.809 75 HZ1 LYS 8 3HZ LYS 8 -17.990 -2.282 2.678 76 HZ2 LYS 8 1HZ LYS 8 -18.781 -0.802 2.890 77 HZ3 LYS 8 2HZ LYS 8 -19.033 -2.059 3.992 78 H ARG 9 H ARG 9 -14.732 -3.831 0.057 79 HA ARG 9 HA ARG 9 -14.859 -4.770 -2.012 80 HB2 ARG 9 2HB ARG 9 -14.795 -2.229 -2.556 81 HB3 ARG 9 1HB ARG 9 -13.154 -2.549 -3.099 82 HG2 ARG 9 2HG ARG 9 -14.088 -2.982 -5.075 83 HG3 ARG 9 1HG ARG 9 -14.569 -4.521 -4.356 84 HD2 ARG 9 2HD ARG 9 -16.624 -3.858 -5.017 85 HD3 ARG 9 1HD ARG 9 -16.584 -2.976 -3.491 86 HE ARG 9 HE ARG 9 -15.502 -1.240 -5.278 87 HH11 ARG 9 1HH1 ARG 9 -18.489 -3.040 -5.153 88 HH12 ARG 9 2HH1 ARG 9 -19.384 -1.856 -6.044 89 HH21 ARG 9 1HH2 ARG 9 -16.678 0.319 -6.451 90 HH22 ARG 9 2HH2 ARG 9 -18.356 0.048 -6.782 91 H GLU 10 H GLU 10 -12.652 -5.438 -0.237 92 HA GLU 10 HA GLU 10 -10.764 -6.440 -2.258 93 HB2 GLU 10 2HB GLU 10 -10.227 -4.859 0.151 94 HB3 GLU 10 1HB GLU 10 -9.255 -6.320 0.041 95 HG2 GLU 10 2HG GLU 10 -8.171 -5.620 -1.861 96 HG3 GLU 10 1HG GLU 10 -9.469 -4.521 -2.326 97 H GLU 11 H GLU 11 -9.308 -8.204 -1.032 98 HA GLU 11 HA GLU 11 -11.189 -10.006 0.349 99 HB2 GLU 11 2HB GLU 11 -10.194 -10.462 -2.115 100 HB3 GLU 11 1HB GLU 11 -8.915 -11.183 -1.146 101 HG2 GLU 11 2HG GLU 11 -10.444 -12.699 -0.123 102 HG3 GLU 11 1HG GLU 11 -11.825 -11.879 -0.849 103 H LYS 12 H LYS 12 -7.677 -9.739 -0.239 104 HA LYS 12 HA LYS 12 -7.235 -9.893 2.652 105 HB2 LYS 12 2HB LYS 12 -6.645 -11.987 0.752 106 HB3 LYS 12 1HB LYS 12 -5.167 -11.414 1.510 107 HG2 LYS 12 2HG LYS 12 -5.898 -12.003 3.650 108 HG3 LYS 12 1HG LYS 12 -7.579 -12.149 3.129 109 HD2 LYS 12 2HD LYS 12 -6.391 -13.973 1.520 110 HD3 LYS 12 1HD LYS 12 -5.359 -14.079 2.947 111 HE2 LYS 12 2HE LYS 12 -8.151 -13.993 3.683 112 HE3 LYS 12 1HE LYS 12 -7.834 -15.309 2.553 113 HZ1 LYS 12 3HZ LYS 12 -7.271 -16.383 4.430 114 HZ2 LYS 12 1HZ LYS 12 -6.945 -14.964 5.294 115 HZ3 LYS 12 2HZ LYS 12 -5.790 -15.592 4.231 116 H TYR 13 H TYR 13 -5.053 -10.090 -0.145 117 HA TYR 13 HA TYR 13 -4.079 -7.395 0.402 118 HB2 TYR 13 2HB TYR 13 -1.686 -8.383 0.196 119 HB3 TYR 13 1HB TYR 13 -2.521 -8.498 1.740 120 HD1 TYR 13 2HD TYR 13 -2.487 -10.521 -1.411 121 HD2 TYR 13 1HD TYR 13 -2.103 -10.479 2.826 122 HE1 TYR 13 2HE TYR 13 -2.162 -12.958 -1.423 123 HE2 TYR 13 1HE TYR 13 -1.776 -12.917 2.826 124 HH TYR 13 HH TYR 13 -0.856 -14.651 0.925 125 H GLY 14 H GLY 14 -2.167 -6.964 -1.259 126 HA2 GLY 14 2HA GLY 14 -2.880 -8.170 -3.850 127 HA3 GLY 14 1HA GLY 14 -2.859 -6.421 -3.673 128 H VAL 15 H VAL 15 -1.314 -7.185 -5.596 129 HA VAL 15 HA VAL 15 1.402 -7.475 -4.500 130 HB VAL 15 HB VAL 15 0.531 -7.912 -7.357 131 HG11 VAL 15 1HG1 VAL 15 2.761 -7.664 -7.616 132 HG12 VAL 15 2HG1 VAL 15 2.796 -9.333 -7.047 133 HG13 VAL 15 3HG1 VAL 15 3.105 -8.012 -5.922 134 HG21 VAL 15 3HG2 VAL 15 1.155 -10.377 -6.472 135 HG22 VAL 15 1HG2 VAL 15 -0.485 -9.729 -6.482 136 HG23 VAL 15 2HG2 VAL 15 0.472 -9.685 -5.001 137 H ALA 16 H ALA 16 2.997 -6.024 -5.011 138 HA ALA 16 HA ALA 16 2.129 -3.605 -6.462 139 HB1 ALA 16 1HB ALA 16 2.808 -3.688 -3.850 140 HB2 ALA 16 2HB ALA 16 3.028 -2.271 -4.878 141 HB3 ALA 16 3HB ALA 16 4.381 -3.360 -4.577 142 H PHE 17 H PHE 17 3.005 -3.771 -8.466 143 HA PHE 17 HA PHE 17 5.765 -4.732 -8.696 144 HB2 PHE 17 2HB PHE 17 5.202 -4.701 -11.196 145 HB3 PHE 17 1HB PHE 17 4.394 -5.909 -10.203 146 HD1 PHE 17 2HD PHE 17 2.022 -5.700 -9.677 147 HD2 PHE 17 1HD PHE 17 3.986 -2.908 -12.217 148 HE1 PHE 17 2HE PHE 17 -0.161 -4.895 -10.473 149 HE2 PHE 17 1HE PHE 17 1.805 -2.097 -13.019 150 HZ PHE 17 HZ PHE 17 -0.272 -3.092 -12.148 151 H TYR 18 H TYR 18 6.916 -2.935 -8.061 152 HA TYR 18 HA TYR 18 7.297 -0.939 -10.080 153 HB2 TYR 18 2HB TYR 18 5.360 -0.329 -8.211 154 HB3 TYR 18 1HB TYR 18 6.793 0.453 -7.556 155 HD1 TYR 18 2HD TYR 18 4.517 0.303 -10.455 156 HD2 TYR 18 1HD TYR 18 7.729 2.387 -8.599 157 HE1 TYR 18 2HE TYR 18 4.205 2.171 -12.024 158 HE2 TYR 18 1HE TYR 18 7.425 4.260 -10.162 159 HH TYR 18 HH TYR 18 5.434 5.176 -11.573 160 H ASN 19 H ASN 19 8.902 0.796 -9.166 161 HA ASN 19 HA ASN 19 10.892 -0.620 -7.516 162 HB2 ASN 19 2HB ASN 19 11.362 1.351 -9.769 163 HB3 ASN 19 1HB ASN 19 12.623 0.651 -8.757 164 HD21 ASN 19 1HD2 ASN 19 10.070 -0.132 -11.049 165 HD22 ASN 19 2HD2 ASN 19 10.802 -1.578 -11.650 166 H TYR 20 H TYR 20 9.205 0.620 -6.010 167 HA TYR 20 HA TYR 20 9.865 3.411 -5.627 168 HB2 TYR 20 2HB TYR 20 7.550 2.406 -5.322 169 HB3 TYR 20 1HB TYR 20 8.158 1.682 -3.838 170 HD1 TYR 20 1HD TYR 20 8.944 5.069 -5.151 171 HD2 TYR 20 2HD TYR 20 6.868 2.791 -2.218 172 HE1 TYR 20 1HE TYR 20 8.413 7.135 -3.932 173 HE2 TYR 20 2HE TYR 20 6.329 4.853 -0.991 174 HH TYR 20 HH TYR 20 7.766 7.497 -1.118 175 H ASP 21 H ASP 21 10.883 4.302 -3.842 176 HA ASP 21 HA ASP 21 12.226 2.433 -2.014 177 HB2 ASP 21 2HB ASP 21 13.615 3.544 -4.009 178 HB3 ASP 21 1HB ASP 21 13.709 4.872 -2.858 179 H ALA 22 H ALA 22 11.581 2.881 -0.023 180 HA ALA 22 HA ALA 22 10.183 5.150 0.772 181 HB1 ALA 22 1HB ALA 22 11.265 4.269 3.116 182 HB2 ALA 22 2HB ALA 22 11.389 2.837 2.095 183 HB3 ALA 22 3HB ALA 22 9.822 3.604 2.351 184 H ARG 23 H ARG 23 10.732 7.119 1.491 185 HA ARG 23 HA ARG 23 13.472 7.967 1.249 186 HB2 ARG 23 2HB ARG 23 11.633 9.405 0.489 187 HB3 ARG 23 1HB ARG 23 11.013 9.491 2.131 188 HG2 ARG 23 2HG ARG 23 12.269 11.276 2.479 189 HG3 ARG 23 1HG ARG 23 13.709 10.281 2.256 190 HD2 ARG 23 2HD ARG 23 13.854 10.814 -0.029 191 HD3 ARG 23 1HD ARG 23 12.208 11.448 -0.069 192 HE ARG 23 HE ARG 23 14.587 12.846 0.732 193 HH11 ARG 23 1HH1 ARG 23 11.112 12.707 1.031 194 HH12 ARG 23 2HH1 ARG 23 10.955 14.382 1.442 195 HH21 ARG 23 1HH2 ARG 23 14.382 15.048 1.276 196 HH22 ARG 23 2HH2 ARG 23 12.811 15.712 1.580 197 H GLY 24 H GLY 24 11.286 7.115 3.817 198 HA2 GLY 24 2HA GLY 24 13.452 7.125 5.717 199 HA3 GLY 24 1HA GLY 24 12.246 8.363 6.033 200 H ALA 25 H ALA 25 12.090 7.089 8.079 201 HA ALA 25 HA ALA 25 11.031 4.479 8.125 202 HB1 ALA 25 1HB ALA 25 11.982 5.132 10.130 203 HB2 ALA 25 2HB ALA 25 10.257 5.240 10.482 204 HB3 ALA 25 3HB ALA 25 11.178 6.701 10.122 205 H ASP 26 H ASP 26 9.552 7.608 7.737 206 HA ASP 26 HA ASP 26 6.900 6.907 8.400 207 HB2 ASP 26 2HB ASP 26 7.736 9.005 6.392 208 HB3 ASP 26 1HB ASP 26 6.254 8.961 7.341 209 H GLU 27 H GLU 27 8.781 6.604 5.457 210 HA GLU 27 HA GLU 27 6.436 5.482 4.082 211 HB2 GLU 27 2HB GLU 27 8.276 7.354 3.217 212 HB3 GLU 27 1HB GLU 27 8.839 5.870 2.462 213 HG2 GLU 27 2HG GLU 27 7.359 6.261 0.863 214 HG3 GLU 27 1HG GLU 27 6.112 5.830 2.032 215 H LEU 28 H LEU 28 6.868 3.619 2.632 216 HA LEU 28 HA LEU 28 8.977 1.861 3.696 217 HB2 LEU 28 2HB LEU 28 6.713 1.273 4.562 218 HB3 LEU 28 1HB LEU 28 6.193 0.998 2.910 219 HG LEU 28 HG LEU 28 8.583 -0.505 3.798 220 HD11 LEU 28 1HD1 LEU 28 7.096 -2.242 4.829 221 HD12 LEU 28 2HD1 LEU 28 5.819 -1.027 4.865 222 HD13 LEU 28 3HD1 LEU 28 7.306 -0.774 5.782 223 HD21 LEU 28 3HD2 LEU 28 6.237 -1.757 2.510 224 HD22 LEU 28 1HD2 LEU 28 7.957 -1.955 2.177 225 HD23 LEU 28 2HD2 LEU 28 7.100 -0.538 1.572 226 H SER 29 H SER 29 10.256 0.978 2.208 227 HA SER 29 HA SER 29 10.028 1.659 -0.523 228 HB2 SER 29 2HB SER 29 11.713 -0.674 0.156 229 HB3 SER 29 1HB SER 29 12.123 0.798 -0.724 230 HG SER 29 HG SER 29 12.702 0.210 1.773 231 H LEU 30 H LEU 30 9.431 0.477 -2.307 232 HA LEU 30 HA LEU 30 8.235 -2.165 -1.828 233 HB2 LEU 30 2HB LEU 30 6.921 0.273 -2.739 234 HB3 LEU 30 1HB LEU 30 6.693 -1.065 -3.848 235 HG LEU 30 HG LEU 30 6.000 -1.086 -0.910 236 HD11 LEU 30 1HD1 LEU 30 3.693 -1.505 -2.292 237 HD12 LEU 30 2HD1 LEU 30 4.523 -0.341 -3.324 238 HD13 LEU 30 3HD1 LEU 30 4.211 0.048 -1.633 239 HD21 LEU 30 3HD2 LEU 30 4.929 -3.164 -2.676 240 HD22 LEU 30 1HD2 LEU 30 5.584 -3.287 -1.043 241 HD23 LEU 30 2HD2 LEU 30 6.674 -3.244 -2.429 242 H GLN 31 H GLN 31 8.569 -3.665 -3.403 243 HA GLN 31 HA GLN 31 9.938 -2.782 -5.851 244 HB2 GLN 31 2HB GLN 31 10.776 -4.920 -3.914 245 HB3 GLN 31 1HB GLN 31 11.254 -5.002 -5.605 246 HG2 GLN 31 2HG GLN 31 13.050 -3.893 -4.822 247 HG3 GLN 31 1HG GLN 31 12.003 -2.500 -5.091 248 HE21 GLN 31 1HE2 GLN 31 14.218 -2.857 -3.218 249 HE22 GLN 31 2HE2 GLN 31 13.567 -2.555 -1.646 250 H ILE 32 H ILE 32 9.935 -4.472 -7.565 251 HA ILE 32 HA ILE 32 7.286 -5.447 -7.945 252 HB ILE 32 HB ILE 32 9.739 -6.089 -9.586 253 HG12 ILE 32 2HG1 ILE 32 7.740 -3.958 -10.272 254 HG13 ILE 32 1HG1 ILE 32 9.062 -3.597 -9.168 255 HG21 ILE 32 1HG2 ILE 32 7.662 -7.493 -9.891 256 HG22 ILE 32 2HG2 ILE 32 8.257 -6.674 -11.334 257 HG23 ILE 32 3HG2 ILE 32 6.863 -6.030 -10.466 258 HD11 ILE 32 3HD1 ILE 32 9.119 -3.441 -11.920 259 HD12 ILE 32 1HD1 ILE 32 9.994 -4.929 -11.557 260 HD13 ILE 32 2HD1 ILE 32 10.509 -3.405 -10.835 261 H GLY 33 H GLY 33 6.445 -7.431 -7.683 262 HA2 GLY 33 2HA GLY 33 6.552 -9.804 -7.568 263 HA3 GLY 33 1HA GLY 33 8.250 -9.680 -7.137 264 H ASP 34 H ASP 34 6.966 -7.389 -5.277 265 HA ASP 34 HA ASP 34 6.740 -9.196 -2.996 266 HB2 ASP 34 2HB ASP 34 7.212 -6.235 -3.264 267 HB3 ASP 34 1HB ASP 34 6.786 -6.962 -1.717 268 H THR 35 H THR 35 4.975 -9.268 -1.639 269 HA THR 35 HA THR 35 2.506 -8.130 -2.751 270 HB THR 35 HB THR 35 2.872 -10.371 -0.751 271 HG1 THR 35 1HG THR 35 2.460 -11.718 -2.435 272 HG21 THR 35 3HG2 THR 35 0.638 -10.674 -0.636 273 HG22 THR 35 1HG2 THR 35 0.353 -10.031 -2.253 274 HG23 THR 35 2HG2 THR 35 0.647 -8.931 -0.907 275 H VAL 36 H VAL 36 1.288 -6.708 -1.628 276 HA VAL 36 HA VAL 36 2.142 -6.068 1.120 277 HB VAL 36 HB VAL 36 1.477 -3.706 0.644 278 HG11 VAL 36 1HG1 VAL 36 3.770 -3.997 0.681 279 HG12 VAL 36 2HG1 VAL 36 3.514 -3.308 -0.921 280 HG13 VAL 36 3HG1 VAL 36 3.765 -5.044 -0.737 281 HG21 VAL 36 3HG2 VAL 36 1.292 -4.769 -2.166 282 HG22 VAL 36 1HG2 VAL 36 1.454 -3.054 -1.785 283 HG23 VAL 36 2HG2 VAL 36 0.039 -3.952 -1.232 284 H HIS 37 H HIS 37 0.574 -5.674 2.620 285 HA HIS 37 HA HIS 37 -2.158 -6.355 1.822 286 HB2 HIS 37 2HB HIS 37 -1.132 -7.645 3.666 287 HB3 HIS 37 1HB HIS 37 -0.939 -6.158 4.586 288 HD1 HIS 37 1HD HIS 37 -3.371 -4.871 5.002 289 HD2 HIS 37 2HD HIS 37 -3.419 -8.957 4.251 290 HE1 HIS 37 1HE HIS 37 -5.599 -5.681 5.841 291 HE2 HIS 37 2HE HIS 37 -5.637 -8.144 5.306 292 H ILE 38 H ILE 38 -3.329 -4.641 1.253 293 HA ILE 38 HA ILE 38 -2.826 -1.992 2.060 294 HB ILE 38 HB ILE 38 -5.420 -3.113 0.995 295 HG12 ILE 38 2HG1 ILE 38 -4.031 -1.782 -1.046 296 HG13 ILE 38 1HG1 ILE 38 -2.818 -2.775 -0.243 297 HG21 ILE 38 1HG2 ILE 38 -4.718 -0.410 0.219 298 HG22 ILE 38 2HG2 ILE 38 -4.855 -0.580 1.969 299 HG23 ILE 38 3HG2 ILE 38 -6.207 -1.031 0.931 300 HD11 ILE 38 3HD1 ILE 38 -5.129 -3.558 -1.883 301 HD12 ILE 38 1HD1 ILE 38 -4.793 -4.570 -0.480 302 HD13 ILE 38 2HD1 ILE 38 -3.548 -4.317 -1.702 303 H LEU 39 H LEU 39 -3.047 -1.220 4.042 304 HA LEU 39 HA LEU 39 -5.080 -2.327 5.827 305 HB2 LEU 39 2HB LEU 39 -2.840 -2.184 6.727 306 HB3 LEU 39 1HB LEU 39 -2.741 -0.484 6.321 307 HG LEU 39 HG LEU 39 -3.127 -1.075 8.765 308 HD11 LEU 39 1HD1 LEU 39 -3.879 1.088 7.266 309 HD12 LEU 39 2HD1 LEU 39 -3.904 0.999 9.027 310 HD13 LEU 39 3HD1 LEU 39 -5.370 0.667 8.107 311 HD21 LEU 39 3HD2 LEU 39 -5.822 -1.793 7.634 312 HD22 LEU 39 1HD2 LEU 39 -5.562 -1.389 9.331 313 HD23 LEU 39 2HD2 LEU 39 -4.755 -2.789 8.624 314 H GLU 40 H GLU 40 -4.292 0.540 4.037 315 HA GLU 40 HA GLU 40 -6.866 1.696 4.788 316 HB2 GLU 40 2HB GLU 40 -4.321 2.698 5.690 317 HB3 GLU 40 1HB GLU 40 -5.094 3.881 4.645 318 HG2 GLU 40 2HG GLU 40 -6.822 4.238 6.087 319 HG3 GLU 40 1HG GLU 40 -6.734 2.614 6.767 320 H THR 41 H THR 41 -7.570 3.396 3.296 321 HA THR 41 HA THR 41 -6.163 3.348 0.713 322 HB THR 41 HB THR 41 -8.428 3.296 -0.396 323 HG1 THR 41 1HG THR 41 -9.198 2.734 2.260 324 HG21 THR 41 3HG2 THR 41 -8.831 0.892 -0.093 325 HG22 THR 41 1HG2 THR 41 -7.677 0.890 1.240 326 HG23 THR 41 2HG2 THR 41 -7.134 1.273 -0.394 327 H TYR 42 H TYR 42 -7.073 5.071 -0.799 328 HA TYR 42 HA TYR 42 -8.499 7.284 0.134 329 HB2 TYR 42 2HB TYR 42 -6.580 7.600 1.644 330 HB3 TYR 42 1HB TYR 42 -5.501 7.661 0.257 331 HD1 TYR 42 2HD TYR 42 -8.700 9.319 1.279 332 HD2 TYR 42 1HD TYR 42 -4.766 9.772 -0.280 333 HE1 TYR 42 2HE TYR 42 -9.046 11.748 1.127 334 HE2 TYR 42 1HE TYR 42 -5.102 12.203 -0.436 335 HH TYR 42 HH TYR 42 -7.640 13.703 -0.615 336 H GLU 43 H GLU 43 -8.207 5.697 -2.246 337 HA GLU 43 HA GLU 43 -8.067 5.880 -4.512 338 HB2 GLU 43 2HB GLU 43 -8.861 8.615 -3.597 339 HB3 GLU 43 1HB GLU 43 -8.506 8.354 -5.299 340 HG2 GLU 43 2HG GLU 43 -10.174 6.278 -4.782 341 HG3 GLU 43 1HG GLU 43 -10.810 7.517 -3.700 342 H GLY 44 H GLY 44 -5.958 5.340 -4.938 343 HA2 GLY 44 2HA GLY 44 -3.882 5.707 -5.886 344 HA3 GLY 44 1HA GLY 44 -4.296 7.411 -6.009 345 H TRP 45 H TRP 45 -4.443 5.690 -2.993 346 HA TRP 45 HA TRP 45 -1.848 6.288 -2.059 347 HB2 TRP 45 2HB TRP 45 -3.340 8.539 -2.181 348 HB3 TRP 45 1HB TRP 45 -3.800 7.963 -0.590 349 HD1 TRP 45 HD TRP 45 -2.610 10.410 0.026 350 HE1 TRP 45 1HE TRP 45 -0.189 10.876 0.741 351 HE3 TRP 45 3HE TRP 45 -0.369 6.133 -1.725 352 HZ2 TRP 45 2HZ TRP 45 2.320 9.628 0.592 353 HZ3 TRP 45 3HZ TRP 45 2.048 5.867 -1.391 354 HH2 TRP 45 HH TRP 45 3.363 7.577 -0.256 355 H TYR 46 H TYR 46 -1.976 4.165 -1.285 356 HA TYR 46 HA TYR 46 -3.910 3.744 0.903 357 HB2 TYR 46 2HB TYR 46 -2.659 1.524 -0.702 358 HB3 TYR 46 1HB TYR 46 -4.074 1.452 0.338 359 HD1 TYR 46 2HD TYR 46 -5.324 4.065 -0.821 360 HD2 TYR 46 1HD TYR 46 -3.733 0.547 -2.604 361 HE1 TYR 46 2HE TYR 46 -6.776 4.407 -2.772 362 HE2 TYR 46 1HE TYR 46 -5.180 0.879 -4.562 363 HH TYR 46 HH TYR 46 -6.468 3.481 -5.479 364 H ARG 47 H ARG 47 -3.230 2.714 2.762 365 HA ARG 47 HA ARG 47 -0.309 2.559 3.114 366 HB2 ARG 47 2HB ARG 47 -1.370 4.323 4.457 367 HB3 ARG 47 1HB ARG 47 -2.452 3.135 5.170 368 HG2 ARG 47 2HG ARG 47 0.020 2.068 5.683 369 HG3 ARG 47 1HG ARG 47 0.302 3.802 5.842 370 HD2 ARG 47 2HD ARG 47 -2.154 2.797 7.116 371 HD3 ARG 47 1HD ARG 47 -0.646 2.219 7.823 372 HE ARG 47 HE ARG 47 -0.725 5.064 7.398 373 HH11 ARG 47 1HH1 ARG 47 -1.500 2.470 9.602 374 HH12 ARG 47 2HH1 ARG 47 -1.477 3.486 11.003 375 HH21 ARG 47 1HH2 ARG 47 -0.694 6.402 9.241 376 HH22 ARG 47 2HH2 ARG 47 -1.019 5.719 10.799 377 H GLY 48 H GLY 48 0.506 0.598 3.479 378 HA2 GLY 48 2HA GLY 48 -1.013 -1.360 5.000 379 HA3 GLY 48 1HA GLY 48 -0.691 -1.785 3.326 380 H TYR 49 H TYR 49 0.306 -3.588 4.765 381 HA TYR 49 HA TYR 49 3.148 -2.912 5.154 382 HB2 TYR 49 2HB TYR 49 3.216 -4.655 6.923 383 HB3 TYR 49 1HB TYR 49 2.153 -3.311 7.326 384 HD1 TYR 49 1HD TYR 49 -0.287 -3.610 7.317 385 HD2 TYR 49 2HD TYR 49 2.346 -6.868 6.569 386 HE1 TYR 49 1HE TYR 49 -2.132 -5.186 7.716 387 HE2 TYR 49 2HE TYR 49 0.507 -8.452 6.965 388 HH TYR 49 HH TYR 49 -1.649 -8.513 8.151 389 H THR 50 H THR 50 4.648 -4.298 4.317 390 HA THR 50 HA THR 50 3.781 -6.058 2.242 391 HB THR 50 HB THR 50 6.478 -6.582 2.643 392 HG1 THR 50 1HG THR 50 6.098 -3.817 3.079 393 HG21 THR 50 3HG2 THR 50 6.839 -5.510 0.667 394 HG22 THR 50 1HG2 THR 50 5.734 -4.191 1.048 395 HG23 THR 50 2HG2 THR 50 5.097 -5.764 0.569 396 H LEU 51 H LEU 51 4.036 -8.300 2.096 397 HA LEU 51 HA LEU 51 3.390 -9.782 4.371 398 HB2 LEU 51 2HB LEU 51 4.188 -10.396 1.591 399 HB3 LEU 51 1HB LEU 51 4.408 -11.691 2.753 400 HG LEU 51 HG LEU 51 2.263 -11.917 1.649 401 HD11 LEU 51 1HD1 LEU 51 1.153 -12.528 3.511 402 HD12 LEU 51 2HD1 LEU 51 1.355 -10.954 4.281 403 HD13 LEU 51 3HD1 LEU 51 2.678 -12.121 4.298 404 HD21 LEU 51 3HD2 LEU 51 2.189 -9.251 1.463 405 HD22 LEU 51 1HD2 LEU 51 1.152 -9.466 2.874 406 HD23 LEU 51 2HD2 LEU 51 0.747 -10.261 1.353 407 H ARG 52 H ARG 52 6.485 -8.942 2.998 408 HA ARG 52 HA ARG 52 7.966 -10.816 4.611 409 HB2 ARG 52 2HB ARG 52 8.972 -8.449 3.022 410 HB3 ARG 52 1HB ARG 52 9.947 -9.764 3.664 411 HG2 ARG 52 2HG ARG 52 8.596 -11.320 2.216 412 HG3 ARG 52 1HG ARG 52 7.918 -9.881 1.452 413 HD2 ARG 52 2HD ARG 52 9.778 -9.500 0.264 414 HD3 ARG 52 1HD ARG 52 10.830 -9.830 1.640 415 HE ARG 52 HE ARG 52 11.199 -11.884 0.746 416 HH11 ARG 52 1HH1 ARG 52 8.090 -10.769 -0.380 417 HH12 ARG 52 2HH1 ARG 52 7.811 -12.158 -1.376 418 HH21 ARG 52 1HH2 ARG 52 10.835 -13.714 -0.562 419 HH22 ARG 52 2HH2 ARG 52 9.370 -13.831 -1.477 420 H LYS 53 H LYS 53 7.406 -7.313 4.610 421 HA LYS 53 HA LYS 53 8.588 -7.187 7.302 422 HB2 LYS 53 2HB LYS 53 8.086 -4.922 5.363 423 HB3 LYS 53 1HB LYS 53 8.904 -4.800 6.916 424 HG2 LYS 53 2HG LYS 53 10.767 -4.990 5.694 425 HG3 LYS 53 1HG LYS 53 10.388 -6.714 5.698 426 HD2 LYS 53 2HD LYS 53 9.896 -6.724 3.508 427 HD3 LYS 53 1HD LYS 53 9.002 -5.206 3.609 428 HE2 LYS 53 2HE LYS 53 10.784 -4.633 2.255 429 HE3 LYS 53 1HE LYS 53 11.353 -4.134 3.848 430 HZ1 LYS 53 3HZ LYS 53 12.977 -5.417 2.451 431 HZ2 LYS 53 1HZ LYS 53 11.996 -6.779 2.676 432 HZ3 LYS 53 2HZ LYS 53 12.721 -6.028 4.007 433 H LYS 54 H LYS 54 6.656 -7.965 8.292 434 HA LYS 54 HA LYS 54 4.169 -6.588 7.979 435 HB2 LYS 54 2HB LYS 54 4.974 -8.397 10.256 436 HB3 LYS 54 1HB LYS 54 3.344 -8.020 9.717 437 HG2 LYS 54 2HG LYS 54 3.856 -9.156 7.567 438 HG3 LYS 54 1HG LYS 54 5.411 -9.640 8.247 439 HD2 LYS 54 2HD LYS 54 4.143 -11.499 8.709 440 HD3 LYS 54 1HD LYS 54 3.920 -10.571 10.193 441 HE2 LYS 54 2HE LYS 54 1.741 -10.134 9.754 442 HE3 LYS 54 1HE LYS 54 2.004 -10.027 8.014 443 HZ1 LYS 54 3HZ LYS 54 2.024 -12.588 9.513 444 HZ2 LYS 54 1HZ LYS 54 2.000 -12.378 7.834 445 HZ3 LYS 54 2HZ LYS 54 0.646 -11.962 8.757 446 H SER 55 H SER 55 6.907 -6.333 10.135 447 HA SER 55 HA SER 55 5.629 -4.697 12.085 448 HB2 SER 55 2HB SER 55 7.706 -6.045 12.490 449 HB3 SER 55 1HB SER 55 8.590 -4.890 11.494 450 HG SER 55 HG SER 55 7.828 -4.693 14.080 451 H LYS 56 H LYS 56 7.640 -4.041 9.247 452 HA LYS 56 HA LYS 56 7.533 -1.184 9.668 453 HB2 LYS 56 2HB LYS 56 9.336 -2.772 8.431 454 HB3 LYS 56 1HB LYS 56 8.393 -2.248 7.043 455 HG2 LYS 56 2HG LYS 56 10.209 -0.746 7.269 456 HG3 LYS 56 1HG LYS 56 8.758 0.111 7.798 457 HD2 LYS 56 2HD LYS 56 9.426 -0.688 10.162 458 HD3 LYS 56 1HD LYS 56 11.010 -0.987 9.444 459 HE2 LYS 56 2HE LYS 56 9.559 1.653 9.328 460 HE3 LYS 56 1HE LYS 56 10.784 1.246 10.529 461 HZ1 LYS 56 3HZ LYS 56 11.532 0.853 7.746 462 HZ2 LYS 56 1HZ LYS 56 12.443 1.455 9.038 463 HZ3 LYS 56 2HZ LYS 56 11.341 2.459 8.241 464 H LYS 57 H LYS 57 5.854 0.020 9.121 465 HA LYS 57 HA LYS 57 4.077 -0.918 6.969 466 HB2 LYS 57 2HB LYS 57 3.376 -0.347 9.511 467 HB3 LYS 57 1HB LYS 57 3.170 1.241 8.784 468 HG2 LYS 57 2HG LYS 57 1.610 0.358 7.178 469 HG3 LYS 57 1HG LYS 57 1.890 -1.284 7.760 470 HD2 LYS 57 2HD LYS 57 0.995 0.785 9.705 471 HD3 LYS 57 1HD LYS 57 -0.186 0.121 8.575 472 HE2 LYS 57 2HE LYS 57 1.476 -1.917 9.837 473 HE3 LYS 57 1HE LYS 57 0.531 -0.977 10.992 474 HZ1 LYS 57 3HZ LYS 57 -0.414 -3.101 9.708 475 HZ2 LYS 57 1HZ LYS 57 -0.895 -1.888 8.631 476 HZ3 LYS 57 2HZ LYS 57 -1.396 -1.832 10.245 477 H GLY 58 H GLY 58 3.258 0.607 5.457 478 HA2 GLY 58 2HA GLY 58 4.327 3.293 5.419 479 HA3 GLY 58 1HA GLY 58 5.010 2.235 4.195 480 H ILE 59 H ILE 59 4.020 3.981 2.827 481 HA ILE 59 HA ILE 59 1.262 3.212 2.152 482 HB ILE 59 HB ILE 59 0.941 5.628 1.411 483 HG12 ILE 59 2HG1 ILE 59 3.386 5.956 3.164 484 HG13 ILE 59 1HG1 ILE 59 3.255 6.357 1.456 485 HG21 ILE 59 1HG2 ILE 59 -0.346 5.577 3.218 486 HG22 ILE 59 2HG2 ILE 59 1.030 6.118 4.178 487 HG23 ILE 59 3HG2 ILE 59 0.712 4.395 3.987 488 HD11 ILE 59 3HD1 ILE 59 1.314 7.914 2.357 489 HD12 ILE 59 1HD1 ILE 59 3.003 8.425 2.344 490 HD13 ILE 59 2HD1 ILE 59 2.275 7.819 3.834 491 H PHE 60 H PHE 60 0.682 3.495 -0.079 492 HA PHE 60 HA PHE 60 2.751 4.122 -1.997 493 HB2 PHE 60 2HB PHE 60 2.557 1.909 -3.144 494 HB3 PHE 60 1HB PHE 60 3.338 1.826 -1.568 495 HD1 PHE 60 1HD PHE 60 -0.070 1.535 -3.063 496 HD2 PHE 60 2HD PHE 60 2.696 0.147 -0.140 497 HE1 PHE 60 1HE PHE 60 -1.683 -0.181 -2.357 498 HE2 PHE 60 2HE PHE 60 1.088 -1.575 0.566 499 HZ PHE 60 HZ PHE 60 -1.105 -1.740 -0.548 500 HA PRO 61 HA PRO 61 -0.846 5.193 -4.332 501 HB2 PRO 61 2HB PRO 61 0.180 5.430 -6.795 502 HB3 PRO 61 1HB PRO 61 0.639 6.538 -5.496 503 HG2 PRO 61 2HG PRO 61 2.114 4.172 -6.579 504 HG3 PRO 61 1HG PRO 61 2.739 5.765 -6.118 505 HD2 PRO 61 2HD PRO 61 2.879 3.527 -4.524 506 HD3 PRO 61 1HD PRO 61 2.896 5.190 -3.909 507 H ALA 62 H ALA 62 -2.464 4.303 -5.547 508 HA ALA 62 HA ALA 62 -2.470 1.489 -5.925 509 HB1 ALA 62 1HB ALA 62 -4.701 1.698 -6.286 510 HB2 ALA 62 2HB ALA 62 -4.521 3.146 -7.276 511 HB3 ALA 62 3HB ALA 62 -4.411 3.260 -5.519 512 H SER 63 H SER 63 -1.220 3.953 -7.842 513 HA SER 63 HA SER 63 -1.867 3.364 -10.432 514 HB2 SER 63 2HB SER 63 0.939 4.016 -9.523 515 HB3 SER 63 1HB SER 63 0.205 4.383 -11.083 516 HG SER 63 HG SER 63 0.100 5.775 -8.762 517 H TYR 64 H TYR 64 0.039 1.405 -8.270 518 HA TYR 64 HA TYR 64 0.314 -0.557 -10.429 519 HB2 TYR 64 2HB TYR 64 2.619 -1.097 -9.691 520 HB3 TYR 64 1HB TYR 64 2.470 0.528 -10.352 521 HD1 TYR 64 1HD TYR 64 2.920 -1.429 -7.263 522 HD2 TYR 64 2HD TYR 64 2.876 2.457 -8.991 523 HE1 TYR 64 1HE TYR 64 3.942 -0.519 -5.223 524 HE2 TYR 64 2HE TYR 64 3.899 3.380 -6.955 525 HH TYR 64 HH TYR 64 4.266 1.496 -4.062 526 H ILE 65 H ILE 65 -1.546 -0.459 -8.233 527 HA ILE 65 HA ILE 65 -0.613 -2.758 -6.641 528 HB ILE 65 HB ILE 65 -2.878 -0.901 -5.919 529 HG12 ILE 65 2HG1 ILE 65 -0.811 0.373 -5.911 530 HG13 ILE 65 1HG1 ILE 65 -1.303 0.050 -4.252 531 HG21 ILE 65 1HG2 ILE 65 -3.002 -3.142 -4.949 532 HG22 ILE 65 2HG2 ILE 65 -2.678 -1.925 -3.715 533 HG23 ILE 65 3HG2 ILE 65 -1.372 -2.954 -4.303 534 HD11 ILE 65 3HD1 ILE 65 0.301 -1.901 -4.300 535 HD12 ILE 65 1HD1 ILE 65 1.016 -0.289 -4.319 536 HD13 ILE 65 2HD1 ILE 65 0.917 -1.226 -5.809 537 H HIS 66 H HIS 66 -1.625 -4.645 -6.838 538 HA HIS 66 HA HIS 66 -4.244 -4.699 -8.186 539 HB2 HIS 66 2HB HIS 66 -2.337 -5.446 -9.656 540 HB3 HIS 66 1HB HIS 66 -2.079 -6.779 -8.537 541 HD1 HIS 66 1HD HIS 66 -3.686 -6.086 -11.611 542 HD2 HIS 66 2HD HIS 66 -4.700 -8.311 -8.252 543 HE1 HIS 66 1HE HIS 66 -5.470 -7.687 -12.377 544 HE2 HIS 66 2HE HIS 66 -6.131 -8.958 -10.306 545 H LEU 67 H LEU 67 -5.786 -5.877 -7.211 546 HA LEU 67 HA LEU 67 -5.187 -7.060 -4.646 547 HB2 LEU 67 2HB LEU 67 -7.791 -6.828 -6.156 548 HB3 LEU 67 1HB LEU 67 -7.631 -7.414 -4.512 549 HG LEU 67 HG LEU 67 -8.376 -5.169 -4.363 550 HD11 LEU 67 1HD1 LEU 67 -5.411 -4.961 -3.921 551 HD12 LEU 67 2HD1 LEU 67 -6.467 -5.903 -2.869 552 HD13 LEU 67 3HD1 LEU 67 -6.711 -4.165 -3.034 553 HD21 LEU 67 3HD2 LEU 67 -6.069 -4.027 -5.835 554 HD22 LEU 67 1HD2 LEU 67 -7.717 -3.424 -5.664 555 HD23 LEU 67 2HD2 LEU 67 -7.372 -4.745 -6.781 556 H LYS 68 H LYS 68 -4.569 -9.094 -4.410 557 HA LYS 68 HA LYS 68 -4.764 -11.000 -6.534 558 HB2 LYS 68 2HB LYS 68 -3.754 -11.104 -3.706 559 HB3 LYS 68 1HB LYS 68 -3.887 -12.568 -4.670 560 HG2 LYS 68 2HG LYS 68 -2.252 -10.134 -5.361 561 HG3 LYS 68 1HG LYS 68 -1.635 -11.670 -4.748 562 HD2 LYS 68 2HD LYS 68 -3.138 -12.431 -6.926 563 HD3 LYS 68 1HD LYS 68 -2.417 -10.909 -7.455 564 HE2 LYS 68 2HE LYS 68 -0.773 -12.380 -8.073 565 HE3 LYS 68 1HE LYS 68 -0.234 -11.963 -6.447 566 HZ1 LYS 68 3HZ LYS 68 -1.282 -14.471 -7.465 567 HZ2 LYS 68 1HZ LYS 68 -1.815 -14.032 -5.920 568 HZ3 LYS 68 2HZ LYS 68 -0.160 -14.187 -6.232 569 H GLU 69 H GLU 69 -5.462 -13.349 -5.734 570 HA GLU 69 HA GLU 69 -8.214 -13.064 -4.723 571 HB2 GLU 69 2HB GLU 69 -7.007 -14.828 -6.821 572 HB3 GLU 69 1HB GLU 69 -8.445 -15.364 -5.962 573 HG2 GLU 69 2HG GLU 69 -9.496 -14.321 -7.649 574 HG3 GLU 69 1HG GLU 69 -9.230 -12.895 -6.646 575 H ALA 70 H ALA 70 -8.276 -13.648 -2.649 576 HA ALA 70 HA ALA 70 -6.443 -15.305 -1.344 577 HB1 ALA 70 1HB ALA 70 -7.697 -13.857 0.007 578 HB2 ALA 70 2HB ALA 70 -8.284 -15.469 0.416 579 HB3 ALA 70 3HB ALA 70 -9.230 -14.429 -0.650 580 H ILE 71 H ILE 71 -6.096 -17.273 -2.288 581 HA ILE 71 HA ILE 71 -8.155 -18.990 -3.207 582 HB ILE 71 HB ILE 71 -5.377 -19.824 -2.384 583 HG12 ILE 71 2HG1 ILE 71 -5.265 -19.529 -5.092 584 HG13 ILE 71 1HG1 ILE 71 -6.322 -18.191 -4.652 585 HG21 ILE 71 1HG2 ILE 71 -7.610 -21.087 -3.828 586 HG22 ILE 71 2HG2 ILE 71 -6.318 -21.814 -2.873 587 HG23 ILE 71 3HG2 ILE 71 -6.011 -21.315 -4.537 588 HD11 ILE 71 3HD1 ILE 71 -4.449 -17.049 -4.305 589 HD12 ILE 71 1HD1 ILE 71 -3.460 -18.510 -4.289 590 HD13 ILE 71 2HD1 ILE 71 -4.290 -17.990 -2.822 591 H VAL 72 H VAL 72 -9.467 -20.284 -2.105 592 HA VAL 72 HA VAL 72 -8.618 -21.300 0.512 593 HB VAL 72 HB VAL 72 -11.377 -20.173 0.035 594 HG11 VAL 72 1HG1 VAL 72 -9.966 -21.247 2.468 595 HG12 VAL 72 2HG1 VAL 72 -11.430 -21.865 1.702 596 HG13 VAL 72 3HG1 VAL 72 -11.461 -20.316 2.544 597 HG21 VAL 72 3HG2 VAL 72 -10.325 -18.533 1.888 598 HG22 VAL 72 1HG2 VAL 72 -10.303 -18.188 0.158 599 HG23 VAL 72 2HG2 VAL 72 -8.882 -18.883 0.937 600 H GLU 73 H GLU 73 -8.815 -23.434 0.556 601 HA GLU 73 HA GLU 73 -10.371 -24.804 -1.458 602 HB2 GLU 73 2HB GLU 73 -8.343 -25.575 0.577 603 HB3 GLU 73 1HB GLU 73 -9.465 -26.819 0.044 604 HG2 GLU 73 2HG GLU 73 -7.923 -27.173 -1.540 605 HG3 GLU 73 1HG GLU 73 -8.707 -25.809 -2.335 606 H GLY 74 H GLY 74 -11.609 -26.835 -0.634 607 HA2 GLY 74 2HA GLY 74 -12.855 -27.570 1.453 608 HA3 GLY 74 1HA GLY 74 -13.422 -25.907 1.502 Start of MODEL 13 1 H1 MET 1 1HT MET 1 -15.101 6.143 11.586 2 H2 MET 1 2HT MET 1 -13.930 7.347 11.940 3 H3 MET 1 3HT MET 1 -14.028 6.681 10.362 4 HA MET 1 HA MET 1 -16.192 7.610 10.075 5 HB2 MET 1 2HB MET 1 -15.676 8.520 12.901 6 HB3 MET 1 1HB MET 1 -16.853 9.325 11.873 7 HG2 MET 1 2HG MET 1 -18.335 7.632 12.006 8 HG3 MET 1 1HG MET 1 -17.083 6.394 12.063 9 HE1 MET 1 2HE MET 1 -18.785 5.149 14.270 10 HE2 MET 1 3HE MET 1 -19.725 6.420 13.488 11 HE3 MET 1 1HE MET 1 -19.592 6.375 15.246 12 H THR 2 H THR 2 -15.491 8.827 8.435 13 HA THR 2 HA THR 2 -14.499 10.493 7.245 14 HB THR 2 HB THR 2 -14.690 12.685 8.094 15 HG1 THR 2 1HG THR 2 -14.770 11.674 10.735 16 HG21 THR 2 3HG2 THR 2 -16.736 10.920 9.389 17 HG22 THR 2 1HG2 THR 2 -16.888 11.908 7.936 18 HG23 THR 2 2HG2 THR 2 -16.787 12.679 9.519 19 H ARG 3 H ARG 3 -12.795 8.603 8.690 20 HA ARG 3 HA ARG 3 -10.450 10.230 9.339 21 HB2 ARG 3 2HB ARG 3 -11.488 7.895 10.450 22 HB3 ARG 3 1HB ARG 3 -10.084 7.351 9.544 23 HG2 ARG 3 2HG ARG 3 -8.792 9.187 10.729 24 HG3 ARG 3 1HG ARG 3 -10.191 9.331 11.795 25 HD2 ARG 3 2HD ARG 3 -8.386 6.960 11.397 26 HD3 ARG 3 1HD ARG 3 -8.680 7.869 12.879 27 HE ARG 3 HE ARG 3 -10.287 5.744 11.796 28 HH11 ARG 3 1HH1 ARG 3 -10.270 8.548 13.874 29 HH12 ARG 3 2HH1 ARG 3 -11.631 8.021 14.806 30 HH21 ARG 3 1HH2 ARG 3 -12.077 5.049 13.021 31 HH22 ARG 3 2HH2 ARG 3 -12.658 6.034 14.323 32 H TRP 4 H TRP 4 -8.407 8.520 8.701 33 HA TRP 4 HA TRP 4 -8.408 8.716 5.787 34 HB2 TRP 4 2HB TRP 4 -6.559 9.615 7.422 35 HB3 TRP 4 1HB TRP 4 -5.997 7.948 7.389 36 HD1 TRP 4 HD TRP 4 -6.424 10.993 5.109 37 HE1 TRP 4 1HE TRP 4 -4.922 10.695 3.041 38 HE3 TRP 4 3HE TRP 4 -4.864 6.232 5.956 39 HZ2 TRP 4 2HZ TRP 4 -3.281 8.681 1.918 40 HZ3 TRP 4 3HZ TRP 4 -3.329 5.173 4.347 41 HH2 TRP 4 HH TRP 4 -2.554 6.377 2.366 42 H VAL 5 H VAL 5 -9.685 6.495 7.464 43 HA VAL 5 HA VAL 5 -8.359 4.275 6.053 44 HB VAL 5 HB VAL 5 -9.742 3.907 8.700 45 HG11 VAL 5 1HG1 VAL 5 -9.522 1.868 7.550 46 HG12 VAL 5 2HG1 VAL 5 -8.192 1.891 8.709 47 HG13 VAL 5 3HG1 VAL 5 -7.889 2.254 7.009 48 HG21 VAL 5 3HG2 VAL 5 -6.952 3.694 9.065 49 HG22 VAL 5 1HG2 VAL 5 -8.055 4.869 9.780 50 HG23 VAL 5 2HG2 VAL 5 -7.245 5.233 8.256 51 HA PRO 6 HA PRO 6 -12.749 4.127 4.809 52 HB2 PRO 6 2HB PRO 6 -12.082 3.813 2.109 53 HB3 PRO 6 1HB PRO 6 -12.523 5.324 2.901 54 HG2 PRO 6 2HG PRO 6 -9.998 4.626 1.821 55 HG3 PRO 6 1HG PRO 6 -10.401 6.072 2.755 56 HD2 PRO 6 2HD PRO 6 -9.070 3.574 3.625 57 HD3 PRO 6 1HD PRO 6 -8.940 5.215 4.285 58 H THR 7 H THR 7 -10.231 2.220 3.131 59 HA THR 7 HA THR 7 -11.643 0.049 2.323 60 HB THR 7 HB THR 7 -9.226 0.396 1.908 61 HG1 THR 7 1HG THR 7 -9.736 -2.120 3.106 62 HG21 THR 7 3HG2 THR 7 -8.711 -0.810 4.604 63 HG22 THR 7 1HG2 THR 7 -8.649 0.928 4.306 64 HG23 THR 7 2HG2 THR 7 -7.548 -0.154 3.453 65 H LYS 8 H LYS 8 -12.957 -1.321 3.305 66 HA LYS 8 HA LYS 8 -12.263 -2.360 5.941 67 HB2 LYS 8 2HB LYS 8 -14.051 -0.305 5.782 68 HB3 LYS 8 1HB LYS 8 -15.120 -1.695 5.669 69 HG2 LYS 8 2HG LYS 8 -15.051 -1.869 7.872 70 HG3 LYS 8 1HG LYS 8 -13.337 -2.270 7.753 71 HD2 LYS 8 2HD LYS 8 -13.157 0.386 7.545 72 HD3 LYS 8 1HD LYS 8 -14.650 0.287 8.481 73 HE2 LYS 8 2HE LYS 8 -11.992 -0.941 9.208 74 HE3 LYS 8 1HE LYS 8 -12.731 0.474 9.958 75 HZ1 LYS 8 3HZ LYS 8 -13.057 -1.539 11.273 76 HZ2 LYS 8 1HZ LYS 8 -13.877 -2.267 9.984 77 HZ3 LYS 8 2HZ LYS 8 -14.533 -0.906 10.746 78 H ARG 9 H ARG 9 -13.730 -4.202 6.556 79 HA ARG 9 HA ARG 9 -14.574 -6.265 6.109 80 HB2 ARG 9 2HB ARG 9 -16.080 -4.438 4.575 81 HB3 ARG 9 1HB ARG 9 -15.755 -5.808 3.522 82 HG2 ARG 9 2HG ARG 9 -16.793 -7.320 5.029 83 HG3 ARG 9 1HG ARG 9 -16.895 -6.088 6.289 84 HD2 ARG 9 2HD ARG 9 -19.055 -6.467 5.171 85 HD3 ARG 9 1HD ARG 9 -18.470 -4.816 4.965 86 HE ARG 9 HE ARG 9 -17.721 -6.542 2.806 87 HH11 ARG 9 1HH1 ARG 9 -20.285 -4.547 4.078 88 HH12 ARG 9 2HH1 ARG 9 -21.009 -4.269 2.530 89 HH21 ARG 9 1HH2 ARG 9 -18.670 -6.178 0.768 90 HH22 ARG 9 2HH2 ARG 9 -20.092 -5.196 0.650 91 H GLU 10 H GLU 10 -11.926 -5.523 5.129 92 HA GLU 10 HA GLU 10 -11.704 -7.418 2.883 93 HB2 GLU 10 2HB GLU 10 -10.882 -4.750 2.976 94 HB3 GLU 10 1HB GLU 10 -9.403 -5.676 3.190 95 HG2 GLU 10 2HG GLU 10 -9.465 -5.507 0.919 96 HG3 GLU 10 1HG GLU 10 -10.323 -7.030 1.147 97 H GLU 11 H GLU 11 -10.672 -9.242 3.333 98 HA GLU 11 HA GLU 11 -8.726 -9.247 5.547 99 HB2 GLU 11 2HB GLU 11 -10.842 -10.419 6.117 100 HB3 GLU 11 1HB GLU 11 -10.573 -11.507 4.764 101 HG2 GLU 11 2HG GLU 11 -8.214 -11.616 6.222 102 HG3 GLU 11 1HG GLU 11 -9.491 -11.579 7.437 103 H LYS 12 H LYS 12 -8.102 -8.769 2.812 104 HA LYS 12 HA LYS 12 -6.311 -11.036 2.360 105 HB2 LYS 12 2HB LYS 12 -8.232 -9.906 0.331 106 HB3 LYS 12 1HB LYS 12 -6.808 -10.828 -0.130 107 HG2 LYS 12 2HG LYS 12 -7.756 -12.779 0.394 108 HG3 LYS 12 1HG LYS 12 -8.439 -12.151 1.894 109 HD2 LYS 12 2HD LYS 12 -10.442 -12.105 0.931 110 HD3 LYS 12 1HD LYS 12 -9.839 -10.914 -0.223 111 HE2 LYS 12 2HE LYS 12 -9.562 -12.451 -1.871 112 HE3 LYS 12 1HE LYS 12 -9.146 -13.743 -0.745 113 HZ1 LYS 12 3HZ LYS 12 -11.742 -12.940 -1.767 114 HZ2 LYS 12 1HZ LYS 12 -11.702 -13.353 -0.126 115 HZ3 LYS 12 2HZ LYS 12 -11.188 -14.467 -1.291 116 H TYR 13 H TYR 13 -4.788 -10.425 0.426 117 HA TYR 13 HA TYR 13 -4.066 -7.579 0.639 118 HB2 TYR 13 2HB TYR 13 -1.638 -8.424 0.506 119 HB3 TYR 13 1HB TYR 13 -2.477 -8.584 2.046 120 HD1 TYR 13 1HD TYR 13 -2.089 -10.587 -1.096 121 HD2 TYR 13 2HD TYR 13 -2.122 -10.563 3.160 122 HE1 TYR 13 1HE TYR 13 -1.594 -12.997 -1.083 123 HE2 TYR 13 2HE TYR 13 -1.625 -12.971 3.183 124 HH TYR 13 HH TYR 13 -0.679 -14.671 1.766 125 H GLY 14 H GLY 14 -2.154 -7.207 -1.063 126 HA2 GLY 14 2HA GLY 14 -2.888 -8.566 -3.573 127 HA3 GLY 14 1HA GLY 14 -2.861 -6.811 -3.495 128 H VAL 15 H VAL 15 -1.294 -6.863 -5.201 129 HA VAL 15 HA VAL 15 1.418 -7.391 -4.188 130 HB VAL 15 HB VAL 15 0.515 -7.937 -7.020 131 HG11 VAL 15 1HG1 VAL 15 3.157 -8.279 -5.617 132 HG12 VAL 15 2HG1 VAL 15 2.800 -7.277 -7.024 133 HG13 VAL 15 3HG1 VAL 15 2.772 -9.034 -7.162 134 HG21 VAL 15 3HG2 VAL 15 -0.255 -9.509 -5.104 135 HG22 VAL 15 1HG2 VAL 15 1.428 -10.038 -5.096 136 HG23 VAL 15 2HG2 VAL 15 0.458 -10.205 -6.560 137 H ALA 16 H ALA 16 3.083 -6.095 -5.118 138 HA ALA 16 HA ALA 16 2.139 -3.674 -6.502 139 HB1 ALA 16 1HB ALA 16 3.008 -2.257 -4.972 140 HB2 ALA 16 2HB ALA 16 4.364 -3.322 -4.600 141 HB3 ALA 16 3HB ALA 16 2.781 -3.629 -3.886 142 H PHE 17 H PHE 17 3.061 -3.806 -8.471 143 HA PHE 17 HA PHE 17 5.814 -4.796 -8.649 144 HB2 PHE 17 2HB PHE 17 5.398 -5.087 -11.043 145 HB3 PHE 17 1HB PHE 17 4.184 -5.927 -10.087 146 HD1 PHE 17 2HD PHE 17 1.926 -4.807 -9.778 147 HD2 PHE 17 1HD PHE 17 4.783 -3.527 -12.661 148 HE1 PHE 17 2HE PHE 17 0.146 -3.649 -11.022 149 HE2 PHE 17 1HE PHE 17 3.009 -2.368 -13.910 150 HZ PHE 17 HZ PHE 17 0.687 -2.429 -13.090 151 H TYR 18 H TYR 18 6.972 -3.004 -8.042 152 HA TYR 18 HA TYR 18 7.379 -1.039 -10.089 153 HB2 TYR 18 2HB TYR 18 5.425 -0.375 -8.286 154 HB3 TYR 18 1HB TYR 18 6.852 0.352 -7.556 155 HD1 TYR 18 2HD TYR 18 4.822 0.249 -10.658 156 HD2 TYR 18 1HD TYR 18 7.769 2.347 -8.418 157 HE1 TYR 18 2HE TYR 18 4.639 2.150 -12.208 158 HE2 TYR 18 1HE TYR 18 7.593 4.253 -9.960 159 HH TYR 18 HH TYR 18 6.885 4.685 -12.283 160 H ASN 19 H ASN 19 9.009 0.679 -9.217 161 HA ASN 19 HA ASN 19 10.952 -0.697 -7.480 162 HB2 ASN 19 2HB ASN 19 11.591 1.140 -9.800 163 HB3 ASN 19 1HB ASN 19 12.751 0.269 -8.802 164 HD21 ASN 19 1HD2 ASN 19 10.132 -0.125 -11.113 165 HD22 ASN 19 2HD2 ASN 19 10.649 -1.660 -11.715 166 H TYR 20 H TYR 20 9.473 0.636 -5.957 167 HA TYR 20 HA TYR 20 10.442 3.404 -5.761 168 HB2 TYR 20 2HB TYR 20 7.997 3.118 -5.866 169 HB3 TYR 20 1HB TYR 20 8.058 2.098 -4.433 170 HD1 TYR 20 1HD TYR 20 9.972 5.227 -4.984 171 HD2 TYR 20 2HD TYR 20 6.734 3.363 -2.949 172 HE1 TYR 20 1HE TYR 20 9.723 7.220 -3.564 173 HE2 TYR 20 2HE TYR 20 6.477 5.351 -1.524 174 HH TYR 20 HH TYR 20 7.151 7.997 -1.918 175 H ASP 21 H ASP 21 11.430 4.162 -3.933 176 HA ASP 21 HA ASP 21 12.155 2.135 -1.923 177 HB2 ASP 21 2HB ASP 21 13.836 3.638 -3.538 178 HB3 ASP 21 1HB ASP 21 13.871 4.496 -2.001 179 H ALA 22 H ALA 22 12.279 2.777 0.270 180 HA ALA 22 HA ALA 22 10.459 4.975 0.911 181 HB1 ALA 22 1HB ALA 22 11.103 3.661 3.277 182 HB2 ALA 22 2HB ALA 22 11.024 2.387 2.061 183 HB3 ALA 22 3HB ALA 22 9.642 3.452 2.310 184 H ARG 23 H ARG 23 11.085 6.799 1.891 185 HA ARG 23 HA ARG 23 13.921 7.053 2.609 186 HB2 ARG 23 2HB ARG 23 12.238 8.670 1.072 187 HB3 ARG 23 1HB ARG 23 12.427 9.541 2.587 188 HG2 ARG 23 2HG ARG 23 14.103 10.263 1.022 189 HG3 ARG 23 1HG ARG 23 14.873 9.383 2.344 190 HD2 ARG 23 2HD ARG 23 15.825 8.736 0.198 191 HD3 ARG 23 1HD ARG 23 14.985 7.380 0.949 192 HE ARG 23 HE ARG 23 13.138 8.569 -0.703 193 HH11 ARG 23 1HH1 ARG 23 16.286 7.110 -1.093 194 HH12 ARG 23 2HH1 ARG 23 15.974 6.572 -2.709 195 HH21 ARG 23 1HH2 ARG 23 12.727 7.861 -2.828 196 HH22 ARG 23 2HH2 ARG 23 13.955 6.999 -3.694 197 H GLY 24 H GLY 24 11.901 5.820 4.334 198 HA2 GLY 24 2HA GLY 24 12.561 6.374 6.811 199 HA3 GLY 24 1HA GLY 24 11.576 7.789 6.476 200 H ALA 25 H ALA 25 10.695 6.423 8.510 201 HA ALA 25 HA ALA 25 9.090 4.178 8.065 202 HB1 ALA 25 1HB ALA 25 8.123 6.098 10.081 203 HB2 ALA 25 2HB ALA 25 9.800 5.579 10.255 204 HB3 ALA 25 3HB ALA 25 8.503 4.383 10.233 205 H ASP 26 H ASP 26 8.532 7.542 7.395 206 HA ASP 26 HA ASP 26 5.742 7.583 7.269 207 HB2 ASP 26 2HB ASP 26 7.813 9.373 6.733 208 HB3 ASP 26 1HB ASP 26 6.964 9.216 5.198 209 H GLU 27 H GLU 27 8.138 6.719 4.807 210 HA GLU 27 HA GLU 27 5.954 5.877 3.031 211 HB2 GLU 27 2HB GLU 27 8.738 6.819 2.589 212 HB3 GLU 27 1HB GLU 27 8.111 5.621 1.465 213 HG2 GLU 27 2HG GLU 27 7.800 7.921 0.673 214 HG3 GLU 27 1HG GLU 27 6.274 7.063 0.881 215 H LEU 28 H LEU 28 6.960 3.985 1.502 216 HA LEU 28 HA LEU 28 8.198 1.941 3.183 217 HB2 LEU 28 2HB LEU 28 5.453 2.013 2.797 218 HB3 LEU 28 1HB LEU 28 6.004 0.849 1.609 219 HG LEU 28 HG LEU 28 6.408 0.722 4.595 220 HD11 LEU 28 1HD1 LEU 28 4.942 -1.099 2.690 221 HD12 LEU 28 2HD1 LEU 28 4.185 0.073 3.771 222 HD13 LEU 28 3HD1 LEU 28 5.075 -1.297 4.438 223 HD21 LEU 28 3HD2 LEU 28 7.796 -0.649 2.374 224 HD22 LEU 28 1HD2 LEU 28 7.291 -1.653 3.734 225 HD23 LEU 28 2HD2 LEU 28 8.354 -0.272 4.003 226 H SER 29 H SER 29 9.665 0.786 2.101 227 HA SER 29 HA SER 29 10.196 1.351 -0.646 228 HB2 SER 29 2HB SER 29 12.000 -0.359 -0.384 229 HB3 SER 29 1HB SER 29 12.045 0.894 0.855 230 HG SER 29 HG SER 29 10.719 -1.573 1.244 231 H LEU 30 H LEU 30 9.044 0.529 -2.266 232 HA LEU 30 HA LEU 30 7.957 -2.190 -1.972 233 HB2 LEU 30 2HB LEU 30 6.923 0.290 -3.192 234 HB3 LEU 30 1HB LEU 30 6.616 -1.179 -4.098 235 HG LEU 30 HG LEU 30 5.810 -0.696 -1.230 236 HD11 LEU 30 1HD1 LEU 30 3.848 -1.107 -3.414 237 HD12 LEU 30 2HD1 LEU 30 4.639 0.467 -3.306 238 HD13 LEU 30 3HD1 LEU 30 3.719 -0.155 -1.935 239 HD21 LEU 30 3HD2 LEU 30 4.540 -2.887 -2.649 240 HD22 LEU 30 1HD2 LEU 30 5.292 -2.856 -1.053 241 HD23 LEU 30 2HD2 LEU 30 6.282 -3.110 -2.490 242 H GLN 31 H GLN 31 8.503 -3.749 -3.367 243 HA GLN 31 HA GLN 31 10.072 -3.006 -5.744 244 HB2 GLN 31 2HB GLN 31 10.602 -5.389 -3.961 245 HB3 GLN 31 1HB GLN 31 11.521 -4.927 -5.385 246 HG2 GLN 31 2HG GLN 31 11.352 -2.787 -3.433 247 HG3 GLN 31 1HG GLN 31 12.087 -4.249 -2.778 248 HE21 GLN 31 1HE2 GLN 31 12.238 -2.004 -5.498 249 HE22 GLN 31 2HE2 GLN 31 13.934 -2.172 -5.775 250 H ILE 32 H ILE 32 9.994 -4.545 -7.493 251 HA ILE 32 HA ILE 32 7.384 -5.527 -7.969 252 HB ILE 32 HB ILE 32 9.906 -6.211 -9.487 253 HG12 ILE 32 2HG1 ILE 32 7.946 -4.075 -10.273 254 HG13 ILE 32 1HG1 ILE 32 9.235 -3.714 -9.130 255 HG21 ILE 32 1HG2 ILE 32 8.452 -6.711 -11.338 256 HG22 ILE 32 2HG2 ILE 32 7.036 -6.209 -10.413 257 HG23 ILE 32 3HG2 ILE 32 7.935 -7.650 -9.937 258 HD11 ILE 32 3HD1 ILE 32 9.526 -3.313 -11.707 259 HD12 ILE 32 1HD1 ILE 32 9.959 -5.022 -11.691 260 HD13 ILE 32 2HD1 ILE 32 10.866 -3.873 -10.708 261 H GLY 33 H GLY 33 6.478 -7.459 -7.658 262 HA2 GLY 33 2HA GLY 33 6.458 -9.821 -7.499 263 HA3 GLY 33 1HA GLY 33 8.175 -9.786 -7.132 264 H ASP 34 H ASP 34 6.905 -7.417 -5.270 265 HA ASP 34 HA ASP 34 6.818 -9.178 -2.943 266 HB2 ASP 34 2HB ASP 34 7.183 -6.213 -3.301 267 HB3 ASP 34 1HB ASP 34 6.810 -6.901 -1.725 268 H THR 35 H THR 35 5.079 -9.384 -1.605 269 HA THR 35 HA THR 35 2.526 -8.441 -2.654 270 HB THR 35 HB THR 35 3.030 -10.297 -0.321 271 HG1 THR 35 1HG THR 35 3.889 -11.092 -2.323 272 HG21 THR 35 3HG2 THR 35 0.601 -10.265 -2.062 273 HG22 THR 35 1HG2 THR 35 0.731 -9.218 -0.649 274 HG23 THR 35 2HG2 THR 35 0.817 -10.968 -0.459 275 H VAL 36 H VAL 36 1.087 -7.162 -1.479 276 HA VAL 36 HA VAL 36 2.097 -6.047 1.047 277 HB VAL 36 HB VAL 36 1.258 -3.799 0.317 278 HG11 VAL 36 1HG1 VAL 36 3.233 -3.393 -1.237 279 HG12 VAL 36 2HG1 VAL 36 3.573 -5.116 -1.071 280 HG13 VAL 36 3HG1 VAL 36 3.590 -4.073 0.351 281 HG21 VAL 36 3HG2 VAL 36 0.895 -5.310 -2.233 282 HG22 VAL 36 1HG2 VAL 36 1.309 -3.598 -2.283 283 HG23 VAL 36 2HG2 VAL 36 -0.164 -4.126 -1.470 284 H HIS 37 H HIS 37 0.598 -5.570 2.571 285 HA HIS 37 HA HIS 37 -2.184 -6.290 1.942 286 HB2 HIS 37 2HB HIS 37 -1.060 -7.663 3.680 287 HB3 HIS 37 1HB HIS 37 -0.809 -6.208 4.640 288 HD1 HIS 37 1HD HIS 37 -2.848 -5.238 5.878 289 HD2 HIS 37 2HD HIS 37 -3.687 -8.656 3.668 290 HE1 HIS 37 1HE HIS 37 -5.131 -5.979 6.628 291 HE2 HIS 37 2HE HIS 37 -5.652 -8.004 5.221 292 H ILE 38 H ILE 38 -3.346 -4.529 1.518 293 HA ILE 38 HA ILE 38 -2.679 -1.941 2.515 294 HB ILE 38 HB ILE 38 -5.251 -2.777 1.179 295 HG12 ILE 38 2HG1 ILE 38 -3.210 -1.436 -0.448 296 HG13 ILE 38 1HG1 ILE 38 -2.736 -3.042 0.096 297 HG21 ILE 38 1HG2 ILE 38 -3.886 -0.107 1.476 298 HG22 ILE 38 2HG2 ILE 38 -5.406 -0.610 2.212 299 HG23 ILE 38 3HG2 ILE 38 -5.299 -0.406 0.463 300 HD11 ILE 38 3HD1 ILE 38 -3.956 -3.941 -1.507 301 HD12 ILE 38 1HD1 ILE 38 -4.438 -2.331 -2.045 302 HD13 ILE 38 2HD1 ILE 38 -5.405 -3.187 -0.843 303 H LEU 39 H LEU 39 -3.335 -0.938 4.289 304 HA LEU 39 HA LEU 39 -5.484 -2.168 5.881 305 HB2 LEU 39 2HB LEU 39 -4.451 -1.077 7.832 306 HB3 LEU 39 1HB LEU 39 -3.366 -2.205 7.042 307 HG LEU 39 HG LEU 39 -2.600 0.059 5.812 308 HD11 LEU 39 1HD1 LEU 39 -3.394 0.943 8.580 309 HD12 LEU 39 2HD1 LEU 39 -4.223 1.411 7.095 310 HD13 LEU 39 3HD1 LEU 39 -2.550 1.900 7.364 311 HD21 LEU 39 3HD2 LEU 39 -1.492 -0.391 8.534 312 HD22 LEU 39 1HD2 LEU 39 -0.658 -0.150 6.999 313 HD23 LEU 39 2HD2 LEU 39 -1.404 -1.706 7.362 314 H GLU 40 H GLU 40 -4.225 0.800 4.528 315 HA GLU 40 HA GLU 40 -6.764 2.136 5.196 316 HB2 GLU 40 2HB GLU 40 -3.974 3.047 5.529 317 HB3 GLU 40 1HB GLU 40 -5.068 4.228 4.827 318 HG2 GLU 40 2HG GLU 40 -6.415 4.288 6.721 319 HG3 GLU 40 1HG GLU 40 -5.781 2.761 7.335 320 H THR 41 H THR 41 -7.240 3.977 3.649 321 HA THR 41 HA THR 41 -6.053 3.872 1.039 322 HB THR 41 HB THR 41 -8.274 3.278 -0.074 323 HG1 THR 41 1HG THR 41 -9.745 2.175 1.133 324 HG21 THR 41 3HG2 THR 41 -7.881 0.966 -0.116 325 HG22 THR 41 1HG2 THR 41 -7.121 0.985 1.475 326 HG23 THR 41 2HG2 THR 41 -6.301 1.718 0.098 327 H TYR 42 H TYR 42 -7.683 5.115 -0.545 328 HA TYR 42 HA TYR 42 -9.442 7.036 0.443 329 HB2 TYR 42 2HB TYR 42 -7.185 7.776 1.500 330 HB3 TYR 42 1HB TYR 42 -6.784 8.325 -0.122 331 HD1 TYR 42 2HD TYR 42 -9.982 8.472 1.797 332 HD2 TYR 42 1HD TYR 42 -6.856 10.640 -0.103 333 HE1 TYR 42 2HE TYR 42 -11.191 10.572 2.217 334 HE2 TYR 42 1HE TYR 42 -8.055 12.746 0.312 335 HH TYR 42 HH TYR 42 -10.286 13.537 0.760 336 H GLU 43 H GLU 43 -6.673 7.238 -1.781 337 HA GLU 43 HA GLU 43 -8.011 6.695 -4.149 338 HB2 GLU 43 2HB GLU 43 -8.123 9.085 -5.054 339 HB3 GLU 43 1HB GLU 43 -9.388 8.600 -3.932 340 HG2 GLU 43 2HG GLU 43 -8.285 9.765 -2.127 341 HG3 GLU 43 1HG GLU 43 -6.938 10.181 -3.185 342 H GLY 44 H GLY 44 -6.161 5.798 -4.910 343 HA2 GLY 44 2HA GLY 44 -4.038 5.665 -5.785 344 HA3 GLY 44 1HA GLY 44 -4.157 7.398 -6.058 345 H TRP 45 H TRP 45 -4.532 6.132 -2.866 346 HA TRP 45 HA TRP 45 -1.793 6.420 -2.084 347 HB2 TRP 45 2HB TRP 45 -3.117 8.773 -2.243 348 HB3 TRP 45 1HB TRP 45 -3.552 8.297 -0.610 349 HD1 TRP 45 HD TRP 45 -2.186 10.565 0.057 350 HE1 TRP 45 1HE TRP 45 0.304 10.907 0.580 351 HE3 TRP 45 3HE TRP 45 -0.274 6.315 -2.100 352 HZ2 TRP 45 2HZ TRP 45 2.741 9.580 0.148 353 HZ3 TRP 45 3HZ TRP 45 2.150 5.946 -1.992 354 HH2 TRP 45 HH TRP 45 3.626 7.542 -0.890 355 H TYR 46 H TYR 46 -2.048 4.345 -1.231 356 HA TYR 46 HA TYR 46 -3.890 4.153 1.066 357 HB2 TYR 46 2HB TYR 46 -2.930 1.713 -0.380 358 HB3 TYR 46 1HB TYR 46 -4.406 1.951 0.543 359 HD1 TYR 46 1HD TYR 46 -5.392 4.463 -0.776 360 HD2 TYR 46 2HD TYR 46 -3.761 0.890 -2.411 361 HE1 TYR 46 1HE TYR 46 -6.632 4.858 -2.862 362 HE2 TYR 46 2HE TYR 46 -4.994 1.275 -4.500 363 HH TYR 46 HH TYR 46 -7.477 2.976 -4.885 364 H ARG 47 H ARG 47 -3.207 2.492 2.696 365 HA ARG 47 HA ARG 47 -0.278 2.494 3.015 366 HB2 ARG 47 2HB ARG 47 -1.755 4.012 4.556 367 HB3 ARG 47 1HB ARG 47 -2.117 2.500 5.377 368 HG2 ARG 47 2HG ARG 47 0.362 2.160 5.616 369 HG3 ARG 47 1HG ARG 47 0.562 3.817 5.040 370 HD2 ARG 47 2HD ARG 47 -1.083 4.443 6.914 371 HD3 ARG 47 1HD ARG 47 -0.732 2.842 7.565 372 HE ARG 47 HE ARG 47 1.724 3.902 7.185 373 HH11 ARG 47 1HH1 ARG 47 -1.136 5.042 8.826 374 HH12 ARG 47 2HH1 ARG 47 -0.250 5.965 9.994 375 HH21 ARG 47 1HH2 ARG 47 2.892 5.115 8.719 376 HH22 ARG 47 2HH2 ARG 47 2.036 6.007 9.934 377 H GLY 48 H GLY 48 0.625 0.715 4.187 378 HA2 GLY 48 2HA GLY 48 -0.803 -1.473 5.173 379 HA3 GLY 48 1HA GLY 48 -0.489 -1.780 3.471 380 H TYR 49 H TYR 49 0.714 -3.634 4.373 381 HA TYR 49 HA TYR 49 3.516 -2.938 4.605 382 HB2 TYR 49 2HB TYR 49 3.828 -4.352 6.646 383 HB3 TYR 49 1HB TYR 49 2.926 -2.867 6.934 384 HD1 TYR 49 2HD TYR 49 2.544 -6.523 6.427 385 HD2 TYR 49 1HD TYR 49 0.756 -2.932 7.844 386 HE1 TYR 49 2HE TYR 49 0.718 -7.832 7.426 387 HE2 TYR 49 1HE TYR 49 -1.074 -4.232 8.847 388 HH TYR 49 HH TYR 49 -1.080 -7.076 9.660 389 H THR 50 H THR 50 4.790 -4.421 3.656 390 HA THR 50 HA THR 50 3.638 -6.528 2.170 391 HB THR 50 HB THR 50 6.044 -7.192 1.759 392 HG1 THR 50 1HG THR 50 6.654 -4.832 3.191 393 HG21 THR 50 3HG2 THR 50 6.674 -5.155 0.535 394 HG22 THR 50 1HG2 THR 50 5.332 -4.305 1.303 395 HG23 THR 50 2HG2 THR 50 5.014 -5.659 0.220 396 H LEU 51 H LEU 51 3.675 -8.738 2.449 397 HA LEU 51 HA LEU 51 3.424 -9.737 5.044 398 HB2 LEU 51 2HB LEU 51 3.808 -11.037 2.367 399 HB3 LEU 51 1HB LEU 51 3.758 -12.005 3.829 400 HG LEU 51 HG LEU 51 1.526 -10.107 3.533 401 HD11 LEU 51 1HD1 LEU 51 0.536 -10.921 1.681 402 HD12 LEU 51 2HD1 LEU 51 1.185 -12.544 1.913 403 HD13 LEU 51 3HD1 LEU 51 2.195 -11.281 1.210 404 HD21 LEU 51 3HD2 LEU 51 1.381 -13.061 3.993 405 HD22 LEU 51 1HD2 LEU 51 0.307 -11.788 4.573 406 HD23 LEU 51 2HD2 LEU 51 1.916 -11.972 5.272 407 H ARG 52 H ARG 52 6.211 -9.417 2.977 408 HA ARG 52 HA ARG 52 7.892 -11.172 4.501 409 HB2 ARG 52 2HB ARG 52 8.206 -9.371 2.172 410 HB3 ARG 52 1HB ARG 52 9.652 -9.644 3.133 411 HG2 ARG 52 2HG ARG 52 9.052 -12.147 2.893 412 HG3 ARG 52 1HG ARG 52 8.039 -11.601 1.556 413 HD2 ARG 52 2HD ARG 52 9.840 -11.633 0.254 414 HD3 ARG 52 1HD ARG 52 10.504 -10.313 1.217 415 HE ARG 52 HE ARG 52 11.936 -11.801 2.217 416 HH11 ARG 52 1HH1 ARG 52 9.471 -13.573 0.495 417 HH12 ARG 52 2HH1 ARG 52 10.255 -15.104 0.696 418 HH21 ARG 52 1HH2 ARG 52 12.966 -13.813 2.483 419 HH22 ARG 52 2HH2 ARG 52 12.239 -15.240 1.826 420 H LYS 53 H LYS 53 7.159 -7.748 4.484 421 HA LYS 53 HA LYS 53 8.850 -7.435 6.873 422 HB2 LYS 53 2HB LYS 53 8.619 -5.700 4.452 423 HB3 LYS 53 1HB LYS 53 8.921 -4.941 6.009 424 HG2 LYS 53 2HG LYS 53 10.942 -6.218 6.293 425 HG3 LYS 53 1HG LYS 53 10.617 -7.121 4.812 426 HD2 LYS 53 2HD LYS 53 12.270 -5.376 4.413 427 HD3 LYS 53 1HD LYS 53 10.785 -5.045 3.519 428 HE2 LYS 53 2HE LYS 53 10.147 -3.336 4.994 429 HE3 LYS 53 1HE LYS 53 11.291 -3.860 6.229 430 HZ1 LYS 53 3HZ LYS 53 12.888 -3.303 4.120 431 HZ2 LYS 53 1HZ LYS 53 12.584 -2.255 5.413 432 HZ3 LYS 53 2HZ LYS 53 11.694 -2.113 3.982 433 H LYS 54 H LYS 54 6.646 -8.101 7.751 434 HA LYS 54 HA LYS 54 4.465 -6.310 7.652 435 HB2 LYS 54 2HB LYS 54 5.165 -8.337 9.783 436 HB3 LYS 54 1HB LYS 54 3.598 -7.569 9.575 437 HG2 LYS 54 2HG LYS 54 3.691 -8.581 7.195 438 HG3 LYS 54 1HG LYS 54 4.926 -9.638 7.881 439 HD2 LYS 54 2HD LYS 54 3.218 -10.099 9.739 440 HD3 LYS 54 1HD LYS 54 2.034 -9.383 8.644 441 HE2 LYS 54 2HE LYS 54 3.015 -11.054 6.914 442 HE3 LYS 54 1HE LYS 54 3.625 -11.899 8.337 443 HZ1 LYS 54 3HZ LYS 54 0.901 -11.625 7.368 444 HZ2 LYS 54 1HZ LYS 54 1.094 -11.511 9.045 445 HZ3 LYS 54 2HZ LYS 54 1.624 -12.893 8.225 446 H SER 55 H SER 55 7.356 -6.416 9.582 447 HA SER 55 HA SER 55 6.590 -4.853 11.759 448 HB2 SER 55 2HB SER 55 9.042 -5.847 10.642 449 HB3 SER 55 1HB SER 55 9.264 -4.164 11.121 450 HG SER 55 HG SER 55 9.686 -5.544 12.862 451 H LYS 56 H LYS 56 8.474 -3.692 8.958 452 HA LYS 56 HA LYS 56 7.773 -0.960 9.531 453 HB2 LYS 56 2HB LYS 56 9.887 -2.161 8.266 454 HB3 LYS 56 1HB LYS 56 8.966 -1.532 6.908 455 HG2 LYS 56 2HG LYS 56 9.400 0.624 7.433 456 HG3 LYS 56 1HG LYS 56 9.410 0.315 9.169 457 HD2 LYS 56 2HD LYS 56 11.624 -0.126 9.209 458 HD3 LYS 56 1HD LYS 56 11.590 -0.952 7.649 459 HE2 LYS 56 2HE LYS 56 11.434 2.039 8.007 460 HE3 LYS 56 1HE LYS 56 12.913 1.152 7.643 461 HZ1 LYS 56 3HZ LYS 56 12.304 0.834 5.514 462 HZ2 LYS 56 1HZ LYS 56 11.337 2.196 5.780 463 HZ3 LYS 56 2HZ LYS 56 10.662 0.649 5.877 464 H LYS 57 H LYS 57 6.178 0.220 8.666 465 HA LYS 57 HA LYS 57 4.731 -0.882 6.353 466 HB2 LYS 57 2HB LYS 57 2.643 0.043 7.357 467 HB3 LYS 57 1HB LYS 57 3.350 -1.275 8.279 468 HG2 LYS 57 2HG LYS 57 4.488 0.652 9.620 469 HG3 LYS 57 1HG LYS 57 3.180 1.624 8.941 470 HD2 LYS 57 2HD LYS 57 2.572 -0.989 10.262 471 HD3 LYS 57 1HD LYS 57 2.858 0.448 11.243 472 HE2 LYS 57 2HE LYS 57 0.868 0.368 8.988 473 HE3 LYS 57 1HE LYS 57 0.449 -0.036 10.652 474 HZ1 LYS 57 3HZ LYS 57 1.563 2.563 9.739 475 HZ2 LYS 57 1HZ LYS 57 1.137 2.174 11.330 476 HZ3 LYS 57 2HZ LYS 57 -0.056 2.272 10.134 477 H GLY 58 H GLY 58 3.263 0.863 5.358 478 HA2 GLY 58 2HA GLY 58 3.827 3.596 5.660 479 HA3 GLY 58 1HA GLY 58 4.886 2.954 4.414 480 H ILE 59 H ILE 59 3.712 4.518 3.049 481 HA ILE 59 HA ILE 59 1.138 3.410 2.133 482 HB ILE 59 HB ILE 59 0.732 5.755 1.213 483 HG12 ILE 59 2HG1 ILE 59 2.944 6.368 3.187 484 HG13 ILE 59 1HG1 ILE 59 3.012 6.606 1.444 485 HG21 ILE 59 1HG2 ILE 59 -0.334 6.450 3.198 486 HG22 ILE 59 2HG2 ILE 59 0.838 5.611 4.214 487 HG23 ILE 59 3HG2 ILE 59 -0.320 4.687 3.255 488 HD11 ILE 59 3HD1 ILE 59 2.559 8.724 2.158 489 HD12 ILE 59 1HD1 ILE 59 1.583 8.177 3.520 490 HD13 ILE 59 2HD1 ILE 59 0.925 8.120 1.885 491 H PHE 60 H PHE 60 0.683 3.532 -0.129 492 HA PHE 60 HA PHE 60 2.886 4.128 -1.930 493 HB2 PHE 60 2HB PHE 60 2.690 1.894 -3.040 494 HB3 PHE 60 1HB PHE 60 3.369 1.825 -1.417 495 HD1 PHE 60 2HD PHE 60 0.041 1.617 -3.101 496 HD2 PHE 60 1HD PHE 60 2.598 0.187 -0.013 497 HE1 PHE 60 2HE PHE 60 -1.661 -0.037 -2.462 498 HE2 PHE 60 1HE PHE 60 0.898 -1.473 0.627 499 HZ PHE 60 HZ PHE 60 -1.234 -1.583 -0.602 500 HA PRO 61 HA PRO 61 -0.509 5.314 -4.496 501 HB2 PRO 61 2HB PRO 61 0.669 5.413 -6.908 502 HB3 PRO 61 1HB PRO 61 1.074 6.561 -5.627 503 HG2 PRO 61 2HG PRO 61 2.545 4.113 -6.511 504 HG3 PRO 61 1HG PRO 61 3.186 5.707 -6.080 505 HD2 PRO 61 2HD PRO 61 3.183 3.557 -4.382 506 HD3 PRO 61 1HD PRO 61 3.156 5.245 -3.835 507 H ALA 62 H ALA 62 -2.149 4.393 -5.592 508 HA ALA 62 HA ALA 62 -2.180 1.585 -6.002 509 HB1 ALA 62 1HB ALA 62 -4.254 3.275 -7.273 510 HB2 ALA 62 2HB ALA 62 -4.100 3.347 -5.517 511 HB3 ALA 62 3HB ALA 62 -4.418 1.805 -6.313 512 H SER 63 H SER 63 -0.968 4.058 -7.933 513 HA SER 63 HA SER 63 -1.696 3.494 -10.507 514 HB2 SER 63 2HB SER 63 -0.051 5.266 -9.570 515 HB3 SER 63 1HB SER 63 1.185 4.042 -9.856 516 HG SER 63 HG SER 63 0.643 5.625 -11.613 517 H TYR 64 H TYR 64 0.264 1.499 -8.426 518 HA TYR 64 HA TYR 64 0.488 -0.422 -10.631 519 HB2 TYR 64 2HB TYR 64 2.782 -1.017 -9.896 520 HB3 TYR 64 1HB TYR 64 2.659 0.621 -10.523 521 HD1 TYR 64 2HD TYR 64 2.815 -1.337 -7.368 522 HD2 TYR 64 1HD TYR 64 3.346 2.453 -9.227 523 HE1 TYR 64 2HE TYR 64 3.846 -0.481 -5.310 524 HE2 TYR 64 1HE TYR 64 4.381 3.320 -7.172 525 HH TYR 64 HH TYR 64 5.491 2.527 -5.192 526 H ILE 65 H ILE 65 -1.239 -0.183 -8.195 527 HA ILE 65 HA ILE 65 -0.376 -2.553 -6.698 528 HB ILE 65 HB ILE 65 -2.669 -0.682 -6.093 529 HG12 ILE 65 2HG1 ILE 65 -0.512 0.462 -5.915 530 HG13 ILE 65 1HG1 ILE 65 -1.211 0.205 -4.320 531 HG21 ILE 65 1HG2 ILE 65 -2.894 -2.991 -5.213 532 HG22 ILE 65 2HG2 ILE 65 -2.768 -1.767 -3.948 533 HG23 ILE 65 3HG2 ILE 65 -1.374 -2.770 -4.347 534 HD11 ILE 65 3HD1 ILE 65 0.282 -1.621 -3.904 535 HD12 ILE 65 1HD1 ILE 65 1.215 -0.216 -4.418 536 HD13 ILE 65 2HD1 ILE 65 0.908 -1.535 -5.549 537 H HIS 66 H HIS 66 -1.409 -4.459 -6.802 538 HA HIS 66 HA HIS 66 -3.980 -4.603 -8.213 539 HB2 HIS 66 2HB HIS 66 -2.035 -5.180 -9.733 540 HB3 HIS 66 1HB HIS 66 -1.740 -6.571 -8.696 541 HD1 HIS 66 1HD HIS 66 -3.676 -5.495 -11.576 542 HD2 HIS 66 2HD HIS 66 -4.012 -8.429 -8.653 543 HE1 HIS 66 1HE HIS 66 -5.339 -7.152 -12.476 544 HE2 HIS 66 2HE HIS 66 -5.584 -8.878 -10.657 545 H LEU 67 H LEU 67 -5.372 -5.392 -6.781 546 HA LEU 67 HA LEU 67 -4.635 -6.850 -4.477 547 HB2 LEU 67 2HB LEU 67 -7.233 -6.222 -5.823 548 HB3 LEU 67 1HB LEU 67 -7.195 -7.372 -4.497 549 HG LEU 67 HG LEU 67 -6.268 -5.657 -3.016 550 HD11 LEU 67 1HD1 LEU 67 -6.465 -3.249 -4.006 551 HD12 LEU 67 2HD1 LEU 67 -6.219 -4.076 -5.544 552 HD13 LEU 67 3HD1 LEU 67 -5.006 -4.202 -4.270 553 HD21 LEU 67 3HD2 LEU 67 -8.506 -5.585 -2.699 554 HD22 LEU 67 1HD2 LEU 67 -8.852 -5.338 -4.410 555 HD23 LEU 67 2HD2 LEU 67 -8.320 -3.983 -3.412 556 H LYS 68 H LYS 68 -4.898 -9.016 -3.948 557 HA LYS 68 HA LYS 68 -5.251 -10.840 -6.236 558 HB2 LYS 68 2HB LYS 68 -3.279 -10.883 -3.977 559 HB3 LYS 68 1HB LYS 68 -3.751 -12.384 -4.763 560 HG2 LYS 68 2HG LYS 68 -3.156 -11.020 -6.944 561 HG3 LYS 68 1HG LYS 68 -2.154 -10.113 -5.808 562 HD2 LYS 68 2HD LYS 68 -0.665 -11.774 -5.635 563 HD3 LYS 68 1HD LYS 68 -1.925 -12.997 -5.468 564 HE2 LYS 68 2HE LYS 68 -0.949 -13.619 -7.457 565 HE3 LYS 68 1HE LYS 68 -2.264 -12.589 -8.021 566 HZ1 LYS 68 3HZ LYS 68 -0.265 -12.013 -9.172 567 HZ2 LYS 68 1HZ LYS 68 0.588 -11.821 -7.723 568 HZ3 LYS 68 2HZ LYS 68 -0.652 -10.743 -8.125 569 H GLU 69 H GLU 69 -5.521 -13.214 -5.181 570 HA GLU 69 HA GLU 69 -7.746 -12.969 -3.263 571 HB2 GLU 69 2HB GLU 69 -7.531 -14.338 -5.827 572 HB3 GLU 69 1HB GLU 69 -8.064 -15.414 -4.543 573 HG2 GLU 69 2HG GLU 69 -10.104 -14.647 -4.964 574 HG3 GLU 69 1HG GLU 69 -9.597 -13.182 -4.126 575 H ALA 70 H ALA 70 -7.063 -13.597 -1.320 576 HA ALA 70 HA ALA 70 -4.853 -15.249 -0.817 577 HB1 ALA 70 1HB ALA 70 -7.200 -14.617 0.969 578 HB2 ALA 70 2HB ALA 70 -5.700 -13.698 0.845 579 HB3 ALA 70 3HB ALA 70 -5.679 -15.336 1.496 580 H ILE 71 H ILE 71 -4.785 -17.256 -1.652 581 HA ILE 71 HA ILE 71 -7.093 -18.956 -1.785 582 HB ILE 71 HB ILE 71 -4.224 -19.802 -2.164 583 HG12 ILE 71 2HG1 ILE 71 -5.173 -19.414 -4.687 584 HG13 ILE 71 1HG1 ILE 71 -5.962 -18.093 -3.831 585 HG21 ILE 71 1HG2 ILE 71 -6.774 -20.873 -3.363 586 HG22 ILE 71 2HG2 ILE 71 -5.943 -21.573 -1.974 587 HG23 ILE 71 3HG2 ILE 71 -5.151 -21.540 -3.550 588 HD11 ILE 71 3HD1 ILE 71 -4.030 -16.979 -3.494 589 HD12 ILE 71 1HD1 ILE 71 -3.547 -17.883 -4.930 590 HD13 ILE 71 2HD1 ILE 71 -3.078 -18.454 -3.329 591 H VAL 72 H VAL 72 -7.454 -20.885 -0.659 592 HA VAL 72 HA VAL 72 -6.143 -20.993 1.969 593 HB VAL 72 HB VAL 72 -8.138 -22.472 2.562 594 HG11 VAL 72 1HG1 VAL 72 -8.128 -20.355 3.523 595 HG12 VAL 72 2HG1 VAL 72 -9.675 -20.405 2.678 596 HG13 VAL 72 3HG1 VAL 72 -8.310 -19.541 1.969 597 HG21 VAL 72 3HG2 VAL 72 -10.117 -22.291 1.209 598 HG22 VAL 72 1HG2 VAL 72 -8.800 -22.902 0.207 599 HG23 VAL 72 2HG2 VAL 72 -9.296 -21.215 0.077 600 H GLU 73 H GLU 73 -4.671 -22.521 2.251 601 HA GLU 73 HA GLU 73 -4.318 -24.667 0.408 602 HB2 GLU 73 2HB GLU 73 -2.813 -23.433 2.488 603 HB3 GLU 73 1HB GLU 73 -2.884 -25.156 2.828 604 HG2 GLU 73 2HG GLU 73 -2.171 -25.485 0.401 605 HG3 GLU 73 1HG GLU 73 -1.765 -23.770 0.420 606 H GLY 74 H GLY 74 -5.143 -26.659 0.444 607 HA2 GLY 74 2HA GLY 74 -6.257 -27.670 2.979 608 HA3 GLY 74 1HA GLY 74 -7.217 -27.720 1.508 Start of MODEL 14 1 H1 MET 1 1HT MET 1 -16.144 13.775 11.129 2 H2 MET 1 2HT MET 1 -16.302 13.858 12.836 3 H3 MET 1 3HT MET 1 -16.158 12.335 12.058 4 HA MET 1 HA MET 1 -14.136 14.411 12.469 5 HB2 MET 1 2HB MET 1 -14.301 11.433 12.982 6 HB3 MET 1 1HB MET 1 -12.888 12.426 13.312 7 HG2 MET 1 2HG MET 1 -15.436 13.302 14.520 8 HG3 MET 1 1HG MET 1 -14.722 11.822 15.152 9 HE1 MET 1 2HE MET 1 -13.896 14.523 17.809 10 HE2 MET 1 3HE MET 1 -13.848 12.761 17.751 11 HE3 MET 1 1HE MET 1 -15.241 13.626 17.101 12 H THR 2 H THR 2 -12.113 14.144 11.385 13 HA THR 2 HA THR 2 -12.442 13.245 8.644 14 HB THR 2 HB THR 2 -10.259 14.334 8.267 15 HG1 THR 2 1HG THR 2 -9.198 14.088 10.166 16 HG21 THR 2 3HG2 THR 2 -12.207 16.026 9.811 17 HG22 THR 2 1HG2 THR 2 -12.172 15.769 8.066 18 HG23 THR 2 2HG2 THR 2 -10.862 16.648 8.856 19 H ARG 3 H ARG 3 -12.242 11.086 8.443 20 HA ARG 3 HA ARG 3 -9.969 9.764 9.754 21 HB2 ARG 3 2HB ARG 3 -11.211 7.649 9.101 22 HB3 ARG 3 1HB ARG 3 -11.982 8.655 10.318 23 HG2 ARG 3 2HG ARG 3 -12.791 9.291 7.586 24 HG3 ARG 3 1HG ARG 3 -13.195 7.649 8.092 25 HD2 ARG 3 2HD ARG 3 -14.237 8.612 10.139 26 HD3 ARG 3 1HD ARG 3 -13.955 10.220 9.473 27 HE ARG 3 HE ARG 3 -15.996 8.350 8.694 28 HH11 ARG 3 1HH1 ARG 3 -14.092 11.096 7.687 29 HH12 ARG 3 2HH1 ARG 3 -15.240 11.616 6.500 30 HH21 ARG 3 1HH2 ARG 3 -17.507 9.032 7.132 31 HH22 ARG 3 2HH2 ARG 3 -17.180 10.445 6.185 32 H TRP 4 H TRP 4 -8.626 8.342 8.564 33 HA TRP 4 HA TRP 4 -8.541 8.960 5.687 34 HB2 TRP 4 2HB TRP 4 -6.587 9.549 7.322 35 HB3 TRP 4 1HB TRP 4 -6.209 7.833 7.203 36 HD1 TRP 4 HD TRP 4 -6.542 10.927 4.926 37 HE1 TRP 4 1HE TRP 4 -5.014 10.598 2.880 38 HE3 TRP 4 3HE TRP 4 -4.971 6.189 5.880 39 HZ2 TRP 4 2HZ TRP 4 -3.352 8.570 1.816 40 HZ3 TRP 4 3HZ TRP 4 -3.411 5.108 4.307 41 HH2 TRP 4 HH TRP 4 -2.619 6.280 2.315 42 H VAL 5 H VAL 5 -10.142 6.830 7.003 43 HA VAL 5 HA VAL 5 -8.934 4.531 5.604 44 HB VAL 5 HB VAL 5 -10.253 3.107 7.268 45 HG11 VAL 5 1HG1 VAL 5 -8.454 3.408 9.040 46 HG12 VAL 5 2HG1 VAL 5 -7.826 4.707 8.027 47 HG13 VAL 5 3HG1 VAL 5 -7.907 3.059 7.401 48 HG21 VAL 5 3HG2 VAL 5 -10.312 5.763 8.686 49 HG22 VAL 5 1HG2 VAL 5 -10.550 4.217 9.501 50 HG23 VAL 5 2HG2 VAL 5 -11.679 4.740 8.252 51 HA PRO 6 HA PRO 6 -13.074 5.042 3.755 52 HB2 PRO 6 2HB PRO 6 -12.325 5.079 1.190 53 HB3 PRO 6 1HB PRO 6 -12.139 6.502 2.221 54 HG2 PRO 6 2HG PRO 6 -10.089 4.590 1.245 55 HG3 PRO 6 1HG PRO 6 -9.936 6.314 1.608 56 HD2 PRO 6 2HD PRO 6 -9.189 4.151 3.279 57 HD3 PRO 6 1HD PRO 6 -9.240 5.867 3.714 58 H THR 7 H THR 7 -10.536 2.706 3.288 59 HA THR 7 HA THR 7 -11.864 0.884 1.608 60 HB THR 7 HB THR 7 -9.490 0.660 1.941 61 HG1 THR 7 1HG THR 7 -10.614 -1.298 1.628 62 HG21 THR 7 3HG2 THR 7 -8.510 -0.073 4.052 63 HG22 THR 7 1HG2 THR 7 -10.080 0.096 4.839 64 HG23 THR 7 2HG2 THR 7 -9.260 1.517 4.197 65 H LYS 8 H LYS 8 -13.630 -0.272 1.974 66 HA LYS 8 HA LYS 8 -14.632 -0.570 4.683 67 HB2 LYS 8 2HB LYS 8 -15.879 -0.134 2.294 68 HB3 LYS 8 1HB LYS 8 -16.110 -1.865 2.491 69 HG2 LYS 8 2HG LYS 8 -16.685 -0.530 4.958 70 HG3 LYS 8 1HG LYS 8 -17.594 0.217 3.643 71 HD2 LYS 8 2HD LYS 8 -17.590 -2.702 3.541 72 HD3 LYS 8 1HD LYS 8 -18.317 -2.054 5.012 73 HE2 LYS 8 2HE LYS 8 -19.403 -0.441 3.105 74 HE3 LYS 8 1HE LYS 8 -19.265 -1.969 2.237 75 HZ1 LYS 8 3HZ LYS 8 -20.487 -3.047 4.030 76 HZ2 LYS 8 1HZ LYS 8 -21.393 -1.788 3.352 77 HZ3 LYS 8 2HZ LYS 8 -20.629 -1.572 4.845 78 H ARG 9 H ARG 9 -13.307 -2.078 5.652 79 HA ARG 9 HA ARG 9 -12.597 -4.145 6.281 80 HB2 ARG 9 2HB ARG 9 -15.066 -4.718 4.732 81 HB3 ARG 9 1HB ARG 9 -14.000 -6.076 5.066 82 HG2 ARG 9 2HG ARG 9 -14.102 -5.464 7.483 83 HG3 ARG 9 1HG ARG 9 -15.327 -4.264 7.066 84 HD2 ARG 9 2HD ARG 9 -16.884 -5.881 6.464 85 HD3 ARG 9 1HD ARG 9 -15.652 -7.120 6.233 86 HE ARG 9 HE ARG 9 -15.865 -6.198 8.946 87 HH11 ARG 9 1HH1 ARG 9 -17.117 -8.440 6.582 88 HH12 ARG 9 2HH1 ARG 9 -17.690 -9.564 7.768 89 HH21 ARG 9 1HH2 ARG 9 -16.618 -7.675 10.507 90 HH22 ARG 9 2HH2 ARG 9 -17.408 -9.130 9.996 91 H GLU 10 H GLU 10 -11.184 -5.797 5.641 92 HA GLU 10 HA GLU 10 -10.706 -6.561 2.976 93 HB2 GLU 10 2HB GLU 10 -9.499 -4.063 3.779 94 HB3 GLU 10 1HB GLU 10 -8.255 -5.249 3.407 95 HG2 GLU 10 2HG GLU 10 -10.477 -4.323 1.606 96 HG3 GLU 10 1HG GLU 10 -8.754 -3.993 1.435 97 H GLU 11 H GLU 11 -9.777 -8.492 3.104 98 HA GLU 11 HA GLU 11 -8.057 -9.065 5.428 99 HB2 GLU 11 2HB GLU 11 -8.824 -11.488 5.012 100 HB3 GLU 11 1HB GLU 11 -9.954 -10.382 5.780 101 HG2 GLU 11 2HG GLU 11 -11.412 -10.508 4.095 102 HG3 GLU 11 1HG GLU 11 -10.149 -10.444 2.866 103 H LYS 12 H LYS 12 -8.596 -9.599 1.987 104 HA LYS 12 HA LYS 12 -6.172 -11.133 1.679 105 HB2 LYS 12 2HB LYS 12 -8.100 -9.987 -0.347 106 HB3 LYS 12 1HB LYS 12 -6.718 -10.994 -0.757 107 HG2 LYS 12 2HG LYS 12 -8.081 -12.734 -0.574 108 HG3 LYS 12 1HG LYS 12 -8.051 -12.463 1.168 109 HD2 LYS 12 2HD LYS 12 -10.260 -12.169 1.040 110 HD3 LYS 12 1HD LYS 12 -9.918 -10.635 0.236 111 HE2 LYS 12 2HE LYS 12 -10.440 -11.444 -1.824 112 HE3 LYS 12 1HE LYS 12 -9.887 -13.074 -1.444 113 HZ1 LYS 12 3HZ LYS 12 -12.114 -13.424 -1.482 114 HZ2 LYS 12 1HZ LYS 12 -12.503 -11.847 -1.007 115 HZ3 LYS 12 2HZ LYS 12 -11.972 -12.970 0.141 116 H TYR 13 H TYR 13 -4.328 -10.494 0.514 117 HA TYR 13 HA TYR 13 -3.871 -7.591 0.548 118 HB2 TYR 13 2HB TYR 13 -1.409 -8.361 0.381 119 HB3 TYR 13 1HB TYR 13 -2.249 -8.582 1.913 120 HD1 TYR 13 2HD TYR 13 -1.869 -10.508 -1.278 121 HD2 TYR 13 1HD TYR 13 -1.776 -10.563 2.974 122 HE1 TYR 13 2HE TYR 13 -1.314 -12.902 -1.328 123 HE2 TYR 13 1HE TYR 13 -1.219 -12.959 2.938 124 HH TYR 13 HH TYR 13 -1.398 -14.868 1.478 125 H GLY 14 H GLY 14 -2.237 -6.838 -1.140 126 HA2 GLY 14 2HA GLY 14 -2.858 -8.139 -3.721 127 HA3 GLY 14 1HA GLY 14 -2.795 -6.395 -3.522 128 H VAL 15 H VAL 15 -1.288 -6.857 -5.433 129 HA VAL 15 HA VAL 15 1.436 -7.333 -4.411 130 HB VAL 15 HB VAL 15 0.490 -7.697 -7.257 131 HG11 VAL 15 1HG1 VAL 15 2.722 -7.353 -7.533 132 HG12 VAL 15 2HG1 VAL 15 2.761 -9.072 -7.145 133 HG13 VAL 15 3HG1 VAL 15 3.120 -7.879 -5.897 134 HG21 VAL 15 3HG2 VAL 15 -0.475 -9.542 -6.380 135 HG22 VAL 15 1HG2 VAL 15 0.548 -9.526 -4.943 136 HG23 VAL 15 2HG2 VAL 15 1.171 -10.172 -6.462 137 H ALA 16 H ALA 16 3.111 -5.996 -5.159 138 HA ALA 16 HA ALA 16 2.244 -3.499 -6.466 139 HB1 ALA 16 1HB ALA 16 4.477 -3.337 -4.535 140 HB2 ALA 16 2HB ALA 16 2.868 -3.586 -3.860 141 HB3 ALA 16 3HB ALA 16 3.188 -2.185 -4.880 142 H PHE 17 H PHE 17 3.129 -3.658 -8.461 143 HA PHE 17 HA PHE 17 5.871 -4.668 -8.692 144 HB2 PHE 17 2HB PHE 17 5.322 -4.551 -11.200 145 HB3 PHE 17 1HB PHE 17 4.501 -5.778 -10.243 146 HD1 PHE 17 2HD PHE 17 2.130 -5.568 -9.726 147 HD2 PHE 17 1HD PHE 17 4.128 -2.704 -12.157 148 HE1 PHE 17 2HE PHE 17 -0.045 -4.716 -10.503 149 HE2 PHE 17 1HE PHE 17 1.958 -1.845 -12.937 150 HZ PHE 17 HZ PHE 17 -0.132 -2.853 -12.110 151 H TYR 18 H TYR 18 7.064 -2.918 -8.009 152 HA TYR 18 HA TYR 18 7.510 -0.885 -9.977 153 HB2 TYR 18 2HB TYR 18 5.626 -0.295 -7.985 154 HB3 TYR 18 1HB TYR 18 7.093 0.543 -7.497 155 HD1 TYR 18 1HD TYR 18 4.573 0.216 -10.175 156 HD2 TYR 18 2HD TYR 18 7.888 2.443 -8.705 157 HE1 TYR 18 1HE TYR 18 4.084 2.001 -11.792 158 HE2 TYR 18 2HE TYR 18 7.406 4.236 -10.318 159 HH TYR 18 HH TYR 18 6.253 4.485 -12.503 160 H ASN 19 H ASN 19 9.169 0.772 -9.035 161 HA ASN 19 HA ASN 19 11.115 -0.745 -7.421 162 HB2 ASN 19 2HB ASN 19 11.726 1.385 -9.483 163 HB3 ASN 19 1HB ASN 19 12.891 0.383 -8.624 164 HD21 ASN 19 1HD2 ASN 19 11.907 -2.090 -8.802 165 HD22 ASN 19 2HD2 ASN 19 11.780 -2.592 -10.449 166 H TYR 20 H TYR 20 9.318 0.579 -5.982 167 HA TYR 20 HA TYR 20 10.068 3.298 -5.451 168 HB2 TYR 20 2HB TYR 20 7.752 2.222 -5.147 169 HB3 TYR 20 1HB TYR 20 8.394 1.568 -3.645 170 HD1 TYR 20 1HD TYR 20 9.649 3.455 -2.166 171 HD2 TYR 20 2HD TYR 20 6.544 4.170 -4.984 172 HE1 TYR 20 1HE TYR 20 9.096 5.556 -1.014 173 HE2 TYR 20 2HE TYR 20 5.981 6.273 -3.841 174 HH TYR 20 HH TYR 20 7.064 7.913 -2.365 175 H ASP 21 H ASP 21 11.356 4.096 -3.886 176 HA ASP 21 HA ASP 21 12.582 2.185 -2.010 177 HB2 ASP 21 2HB ASP 21 14.130 2.850 -3.867 178 HB3 ASP 21 1HB ASP 21 14.004 4.517 -3.311 179 H ALA 22 H ALA 22 11.659 2.692 -0.116 180 HA ALA 22 HA ALA 22 10.704 5.232 0.612 181 HB1 ALA 22 1HB ALA 22 11.016 4.091 3.010 182 HB2 ALA 22 2HB ALA 22 11.150 2.656 1.993 183 HB3 ALA 22 3HB ALA 22 9.707 3.666 1.907 184 H ARG 23 H ARG 23 11.472 6.635 2.310 185 HA ARG 23 HA ARG 23 14.384 6.564 2.711 186 HB2 ARG 23 2HB ARG 23 12.684 8.836 1.732 187 HB3 ARG 23 1HB ARG 23 14.177 9.155 2.606 188 HG2 ARG 23 2HG ARG 23 15.141 7.450 0.819 189 HG3 ARG 23 1HG ARG 23 13.762 8.046 -0.109 190 HD2 ARG 23 2HD ARG 23 15.477 9.499 -0.702 191 HD3 ARG 23 1HD ARG 23 14.604 10.386 0.546 192 HE ARG 23 HE ARG 23 16.567 9.038 1.892 193 HH11 ARG 23 1HH1 ARG 23 16.501 11.317 -0.750 194 HH12 ARG 23 2HH1 ARG 23 18.051 11.990 -0.374 195 HH21 ARG 23 1HH2 ARG 23 18.606 9.922 2.389 196 HH22 ARG 23 2HH2 ARG 23 19.247 11.198 1.408 197 H GLY 24 H GLY 24 12.124 5.770 4.421 198 HA2 GLY 24 2HA GLY 24 12.966 6.528 6.891 199 HA3 GLY 24 1HA GLY 24 11.851 7.807 6.438 200 H ALA 25 H ALA 25 10.925 6.784 8.525 201 HA ALA 25 HA ALA 25 9.549 4.299 8.285 202 HB1 ALA 25 1HB ALA 25 8.995 6.506 10.260 203 HB2 ALA 25 2HB ALA 25 10.288 5.320 10.439 204 HB3 ALA 25 3HB ALA 25 8.606 4.793 10.424 205 H ASP 26 H ASP 26 8.741 7.631 7.625 206 HA ASP 26 HA ASP 26 5.952 7.449 7.566 207 HB2 ASP 26 2HB ASP 26 7.763 9.193 5.882 208 HB3 ASP 26 1HB ASP 26 6.035 9.440 6.109 209 H GLU 27 H GLU 27 8.371 6.490 5.232 210 HA GLU 27 HA GLU 27 6.214 5.528 3.468 211 HB2 GLU 27 2HB GLU 27 8.776 6.907 2.863 212 HB3 GLU 27 1HB GLU 27 8.279 5.628 1.764 213 HG2 GLU 27 2HG GLU 27 7.138 7.227 0.718 214 HG3 GLU 27 1HG GLU 27 5.976 7.060 2.034 215 H LEU 28 H LEU 28 6.866 3.631 2.120 216 HA LEU 28 HA LEU 28 8.794 1.895 3.500 217 HB2 LEU 28 2HB LEU 28 6.516 1.330 4.239 218 HB3 LEU 28 1HB LEU 28 6.042 1.076 2.569 219 HG LEU 28 HG LEU 28 8.348 -0.517 3.492 220 HD11 LEU 28 1HD1 LEU 28 7.266 -0.958 5.455 221 HD12 LEU 28 2HD1 LEU 28 6.523 -2.174 4.416 222 HD13 LEU 28 3HD1 LEU 28 5.668 -0.672 4.769 223 HD21 LEU 28 3HD2 LEU 28 7.242 -2.236 2.178 224 HD22 LEU 28 1HD2 LEU 28 7.365 -0.740 1.254 225 HD23 LEU 28 2HD2 LEU 28 5.827 -1.201 1.983 226 H SER 29 H SER 29 10.142 0.827 2.189 227 HA SER 29 HA SER 29 10.231 1.410 -0.570 228 HB2 SER 29 2HB SER 29 12.114 -0.126 -0.660 229 HB3 SER 29 1HB SER 29 12.226 0.853 0.803 230 HG SER 29 HG SER 29 11.929 -1.847 0.530 231 H LEU 30 H LEU 30 9.319 0.462 -2.269 232 HA LEU 30 HA LEU 30 8.058 -2.173 -1.881 233 HB2 LEU 30 2HB LEU 30 6.992 0.338 -2.900 234 HB3 LEU 30 1HB LEU 30 6.753 -0.988 -4.022 235 HG LEU 30 HG LEU 30 5.788 -0.839 -1.168 236 HD11 LEU 30 1HD1 LEU 30 3.573 -0.976 -2.207 237 HD12 LEU 30 2HD1 LEU 30 4.325 -0.947 -3.801 238 HD13 LEU 30 3HD1 LEU 30 4.459 0.453 -2.738 239 HD21 LEU 30 3HD2 LEU 30 6.030 -3.071 -1.198 240 HD22 LEU 30 1HD2 LEU 30 6.220 -3.128 -2.952 241 HD23 LEU 30 2HD2 LEU 30 4.609 -3.040 -2.243 242 H GLN 31 H GLN 31 8.617 -3.750 -3.247 243 HA GLN 31 HA GLN 31 10.156 -3.012 -5.650 244 HB2 GLN 31 2HB GLN 31 10.545 -5.544 -4.056 245 HB3 GLN 31 1HB GLN 31 11.563 -4.921 -5.347 246 HG2 GLN 31 2HG GLN 31 11.512 -2.892 -3.449 247 HG3 GLN 31 1HG GLN 31 11.635 -4.382 -2.515 248 HE21 GLN 31 1HE2 GLN 31 13.303 -2.080 -4.285 249 HE22 GLN 31 2HE2 GLN 31 14.813 -2.908 -4.434 250 H ILE 32 H ILE 32 10.062 -4.574 -7.414 251 HA ILE 32 HA ILE 32 7.385 -5.384 -7.938 252 HB ILE 32 HB ILE 32 9.860 -6.114 -9.503 253 HG12 ILE 32 2HG1 ILE 32 8.016 -3.782 -10.021 254 HG13 ILE 32 1HG1 ILE 32 9.485 -3.628 -9.064 255 HG21 ILE 32 1HG2 ILE 32 8.143 -6.107 -11.392 256 HG22 ILE 32 2HG2 ILE 32 6.923 -6.155 -10.121 257 HG23 ILE 32 3HG2 ILE 32 8.100 -7.460 -10.264 258 HD11 ILE 32 3HD1 ILE 32 10.757 -4.478 -11.033 259 HD12 ILE 32 1HD1 ILE 32 9.972 -2.916 -11.272 260 HD13 ILE 32 2HD1 ILE 32 9.262 -4.374 -11.963 261 H GLY 33 H GLY 33 6.430 -7.342 -7.858 262 HA2 GLY 33 2HA GLY 33 6.323 -9.688 -7.754 263 HA3 GLY 33 1HA GLY 33 8.044 -9.728 -7.400 264 H ASP 34 H ASP 34 6.886 -7.414 -5.411 265 HA ASP 34 HA ASP 34 6.739 -9.283 -3.173 266 HB2 ASP 34 2HB ASP 34 7.229 -6.323 -3.388 267 HB3 ASP 34 1HB ASP 34 6.839 -7.072 -1.845 268 H THR 35 H THR 35 5.062 -9.278 -1.665 269 HA THR 35 HA THR 35 2.516 -8.280 -2.708 270 HB THR 35 HB THR 35 2.894 -10.129 -0.356 271 HG1 THR 35 1HG THR 35 2.771 -11.832 -1.775 272 HG21 THR 35 3HG2 THR 35 0.686 -10.959 -0.980 273 HG22 THR 35 1HG2 THR 35 0.603 -9.760 -2.272 274 HG23 THR 35 2HG2 THR 35 0.654 -9.241 -0.587 275 H VAL 36 H VAL 36 1.026 -7.172 -1.308 276 HA VAL 36 HA VAL 36 2.170 -6.045 1.138 277 HB VAL 36 HB VAL 36 1.463 -3.766 0.509 278 HG11 VAL 36 1HG1 VAL 36 3.487 -3.318 -0.353 279 HG12 VAL 36 2HG1 VAL 36 3.255 -4.405 -1.722 280 HG13 VAL 36 3HG1 VAL 36 3.763 -5.048 -0.161 281 HG21 VAL 36 3HG2 VAL 36 0.522 -5.193 -1.897 282 HG22 VAL 36 1HG2 VAL 36 1.289 -3.628 -2.170 283 HG23 VAL 36 2HG2 VAL 36 -0.115 -3.749 -1.110 284 H HIS 37 H HIS 37 0.729 -5.679 2.728 285 HA HIS 37 HA HIS 37 -2.067 -6.369 2.177 286 HB2 HIS 37 2HB HIS 37 -0.832 -7.622 3.957 287 HB3 HIS 37 1HB HIS 37 -0.674 -6.113 4.851 288 HD1 HIS 37 1HD HIS 37 -2.117 -8.396 6.195 289 HD2 HIS 37 2HD HIS 37 -4.051 -5.576 3.832 290 HE1 HIS 37 1HE HIS 37 -4.522 -8.433 6.936 291 HE2 HIS 37 2HE HIS 37 -5.652 -6.654 5.556 292 H ILE 38 H ILE 38 -3.259 -4.641 1.686 293 HA ILE 38 HA ILE 38 -2.626 -2.015 2.659 294 HB ILE 38 HB ILE 38 -5.110 -2.874 1.178 295 HG12 ILE 38 2HG1 ILE 38 -2.769 -1.610 -0.184 296 HG13 ILE 38 1HG1 ILE 38 -2.704 -3.334 0.166 297 HG21 ILE 38 1HG2 ILE 38 -4.633 -0.511 2.394 298 HG22 ILE 38 2HG2 ILE 38 -5.630 -0.694 0.950 299 HG23 ILE 38 3HG2 ILE 38 -3.944 -0.197 0.801 300 HD11 ILE 38 3HD1 ILE 38 -5.201 -2.962 -0.969 301 HD12 ILE 38 1HD1 ILE 38 -3.773 -3.643 -1.746 302 HD13 ILE 38 2HD1 ILE 38 -4.127 -1.922 -1.905 303 H LEU 39 H LEU 39 -3.431 -0.972 4.351 304 HA LEU 39 HA LEU 39 -5.657 -2.215 5.829 305 HB2 LEU 39 2HB LEU 39 -4.752 -1.132 7.834 306 HB3 LEU 39 1HB LEU 39 -3.591 -2.222 7.101 307 HG LEU 39 HG LEU 39 -2.790 0.044 5.935 308 HD11 LEU 39 1HD1 LEU 39 -4.715 1.099 7.468 309 HD12 LEU 39 2HD1 LEU 39 -3.244 1.966 7.031 310 HD13 LEU 39 3HD1 LEU 39 -3.366 1.174 8.602 311 HD21 LEU 39 3HD2 LEU 39 -1.742 -1.666 7.711 312 HD22 LEU 39 1HD2 LEU 39 -1.859 -0.228 8.725 313 HD23 LEU 39 2HD2 LEU 39 -0.943 -0.174 7.220 314 H GLU 40 H GLU 40 -4.241 0.807 4.713 315 HA GLU 40 HA GLU 40 -6.831 2.144 5.164 316 HB2 GLU 40 2HB GLU 40 -4.022 3.078 5.489 317 HB3 GLU 40 1HB GLU 40 -5.194 4.239 4.888 318 HG2 GLU 40 2HG GLU 40 -6.283 4.374 6.858 319 HG3 GLU 40 1HG GLU 40 -5.973 2.690 7.276 320 H THR 41 H THR 41 -7.223 3.965 3.557 321 HA THR 41 HA THR 41 -5.919 3.666 0.991 322 HB THR 41 HB THR 41 -8.217 3.338 -0.127 323 HG1 THR 41 1HG THR 41 -8.778 2.400 2.486 324 HG21 THR 41 3HG2 THR 41 -8.097 0.967 -0.079 325 HG22 THR 41 1HG2 THR 41 -7.207 0.986 1.443 326 HG23 THR 41 2HG2 THR 41 -6.447 1.587 -0.029 327 H TYR 42 H TYR 42 -7.192 5.104 -0.686 328 HA TYR 42 HA TYR 42 -8.782 7.237 0.097 329 HB2 TYR 42 2HB TYR 42 -6.372 7.575 1.306 330 HB3 TYR 42 1HB TYR 42 -6.100 8.437 -0.203 331 HD1 TYR 42 1HD TYR 42 -7.853 10.215 -0.860 332 HD2 TYR 42 2HD TYR 42 -7.473 8.629 3.069 333 HE1 TYR 42 1HE TYR 42 -9.035 12.175 0.038 334 HE2 TYR 42 2HE TYR 42 -8.653 10.585 3.979 335 HH TYR 42 HH TYR 42 -10.289 12.841 1.977 336 H GLU 43 H GLU 43 -8.359 5.512 -2.154 337 HA GLU 43 HA GLU 43 -8.290 5.537 -4.431 338 HB2 GLU 43 2HB GLU 43 -9.865 7.613 -3.652 339 HB3 GLU 43 1HB GLU 43 -8.674 8.456 -4.633 340 HG2 GLU 43 2HG GLU 43 -10.589 7.850 -5.970 341 HG3 GLU 43 1HG GLU 43 -9.164 6.960 -6.506 342 H GLY 44 H GLY 44 -6.166 5.065 -4.862 343 HA2 GLY 44 2HA GLY 44 -4.124 5.457 -5.864 344 HA3 GLY 44 1HA GLY 44 -4.608 7.133 -6.082 345 H TRP 45 H TRP 45 -4.533 5.462 -3.006 346 HA TRP 45 HA TRP 45 -1.994 6.228 -2.127 347 HB2 TRP 45 2HB TRP 45 -3.364 8.472 -2.441 348 HB3 TRP 45 1HB TRP 45 -4.043 8.020 -0.887 349 HD1 TRP 45 HD TRP 45 -2.968 10.167 0.228 350 HE1 TRP 45 1HE TRP 45 -0.586 10.704 1.024 351 HE3 TRP 45 3HE TRP 45 -0.404 6.433 -2.187 352 HZ2 TRP 45 2HZ TRP 45 2.016 9.704 0.685 353 HZ3 TRP 45 3HZ TRP 45 2.028 6.308 -1.889 354 HH2 TRP 45 HH TRP 45 3.213 7.908 -0.483 355 H TYR 46 H TYR 46 -2.233 4.085 -1.321 356 HA TYR 46 HA TYR 46 -3.985 3.893 1.046 357 HB2 TYR 46 2HB TYR 46 -3.065 1.421 -0.350 358 HB3 TYR 46 1HB TYR 46 -4.545 1.713 0.546 359 HD1 TYR 46 1HD TYR 46 -5.516 4.161 -0.869 360 HD2 TYR 46 2HD TYR 46 -3.858 0.541 -2.364 361 HE1 TYR 46 1HE TYR 46 -6.748 4.474 -2.975 362 HE2 TYR 46 2HE TYR 46 -5.083 0.844 -4.475 363 HH TYR 46 HH TYR 46 -7.268 2.105 -5.172 364 H ARG 47 H ARG 47 -3.230 2.602 2.808 365 HA ARG 47 HA ARG 47 -0.290 2.505 2.974 366 HB2 ARG 47 2HB ARG 47 -1.608 4.098 4.502 367 HB3 ARG 47 1HB ARG 47 -2.154 2.649 5.335 368 HG2 ARG 47 2HG ARG 47 0.538 2.255 5.264 369 HG3 ARG 47 1HG ARG 47 0.433 4.010 5.422 370 HD2 ARG 47 2HD ARG 47 -1.460 3.016 7.207 371 HD3 ARG 47 1HD ARG 47 -0.070 1.946 7.383 372 HE ARG 47 HE ARG 47 1.048 4.399 7.462 373 HH11 ARG 47 1HH1 ARG 47 -1.619 2.955 9.191 374 HH12 ARG 47 2HH1 ARG 47 -1.377 3.912 10.614 375 HH21 ARG 47 1HH2 ARG 47 1.367 5.657 9.335 376 HH22 ARG 47 2HH2 ARG 47 0.317 5.446 10.696 377 H GLY 48 H GLY 48 0.692 0.726 3.999 378 HA2 GLY 48 2HA GLY 48 -0.706 -1.424 5.164 379 HA3 GLY 48 1HA GLY 48 -0.450 -1.774 3.462 380 H TYR 49 H TYR 49 0.697 -3.581 4.795 381 HA TYR 49 HA TYR 49 3.534 -2.820 4.957 382 HB2 TYR 49 2HB TYR 49 3.716 -4.601 6.781 383 HB3 TYR 49 1HB TYR 49 2.948 -3.081 7.228 384 HD1 TYR 49 1HD TYR 49 0.546 -2.980 7.656 385 HD2 TYR 49 2HD TYR 49 2.445 -6.655 6.662 386 HE1 TYR 49 1HE TYR 49 -1.437 -4.209 8.437 387 HE2 TYR 49 2HE TYR 49 0.468 -7.894 7.440 388 HH TYR 49 HH TYR 49 -1.830 -6.671 9.363 389 H THR 50 H THR 50 4.892 -4.093 3.849 390 HA THR 50 HA THR 50 3.939 -5.983 2.014 391 HB THR 50 HB THR 50 6.566 -6.619 2.159 392 HG1 THR 50 1HG THR 50 7.728 -4.895 2.869 393 HG21 THR 50 3HG2 THR 50 6.998 -4.666 0.623 394 HG22 THR 50 1HG2 THR 50 5.307 -4.227 0.861 395 HG23 THR 50 2HG2 THR 50 5.720 -5.780 0.135 396 H LEU 51 H LEU 51 4.464 -8.266 1.870 397 HA LEU 51 HA LEU 51 3.760 -9.669 4.231 398 HB2 LEU 51 2HB LEU 51 4.458 -10.384 1.438 399 HB3 LEU 51 1HB LEU 51 4.638 -11.645 2.641 400 HG LEU 51 HG LEU 51 2.447 -11.671 1.457 401 HD11 LEU 51 1HD1 LEU 51 1.078 -11.867 3.532 402 HD12 LEU 51 2HD1 LEU 51 2.449 -11.223 4.434 403 HD13 LEU 51 3HD1 LEU 51 2.600 -12.757 3.579 404 HD21 LEU 51 3HD2 LEU 51 0.795 -9.995 1.930 405 HD22 LEU 51 1HD2 LEU 51 2.229 -9.205 1.278 406 HD23 LEU 51 2HD2 LEU 51 1.900 -9.146 3.009 407 H ARG 52 H ARG 52 6.794 -8.914 2.680 408 HA ARG 52 HA ARG 52 8.378 -10.795 4.120 409 HB2 ARG 52 2HB ARG 52 8.855 -8.544 2.272 410 HB3 ARG 52 1HB ARG 52 10.153 -8.858 3.416 411 HG2 ARG 52 2HG ARG 52 10.214 -11.202 2.657 412 HG3 ARG 52 1HG ARG 52 8.972 -10.823 1.462 413 HD2 ARG 52 2HD ARG 52 10.715 -8.907 0.850 414 HD3 ARG 52 1HD ARG 52 11.844 -10.076 1.533 415 HE ARG 52 HE ARG 52 10.427 -10.280 -0.962 416 HH11 ARG 52 1HH1 ARG 52 12.037 -12.058 1.575 417 HH12 ARG 52 2HH1 ARG 52 12.388 -13.421 0.567 418 HH21 ARG 52 1HH2 ARG 52 10.888 -12.074 -2.288 419 HH22 ARG 52 2HH2 ARG 52 11.736 -13.432 -1.625 420 H LYS 53 H LYS 53 7.416 -7.455 4.648 421 HA LYS 53 HA LYS 53 8.590 -7.618 7.343 422 HB2 LYS 53 2HB LYS 53 8.498 -5.160 5.584 423 HB3 LYS 53 1HB LYS 53 9.117 -5.226 7.228 424 HG2 LYS 53 2HG LYS 53 11.098 -5.475 6.216 425 HG3 LYS 53 1HG LYS 53 10.599 -7.160 6.059 426 HD2 LYS 53 2HD LYS 53 10.957 -6.875 3.866 427 HD3 LYS 53 1HD LYS 53 9.425 -5.998 3.873 428 HE2 LYS 53 2HE LYS 53 10.637 -3.900 4.246 429 HE3 LYS 53 1HE LYS 53 12.165 -4.782 4.227 430 HZ1 LYS 53 3HZ LYS 53 12.065 -4.090 2.077 431 HZ2 LYS 53 1HZ LYS 53 10.375 -4.112 2.010 432 HZ3 LYS 53 2HZ LYS 53 11.245 -5.559 1.912 433 H LYS 54 H LYS 54 6.771 -8.010 8.497 434 HA LYS 54 HA LYS 54 4.299 -6.637 7.948 435 HB2 LYS 54 2HB LYS 54 5.207 -8.798 9.747 436 HB3 LYS 54 1HB LYS 54 3.883 -7.816 10.354 437 HG2 LYS 54 2HG LYS 54 2.690 -9.409 9.268 438 HG3 LYS 54 1HG LYS 54 2.915 -8.274 7.934 439 HD2 LYS 54 2HD LYS 54 5.016 -9.607 7.376 440 HD3 LYS 54 1HD LYS 54 4.393 -10.833 8.482 441 HE2 LYS 54 2HE LYS 54 2.590 -9.779 6.362 442 HE3 LYS 54 1HE LYS 54 3.862 -10.908 5.899 443 HZ1 LYS 54 3HZ LYS 54 2.840 -12.163 8.007 444 HZ2 LYS 54 1HZ LYS 54 2.293 -12.414 6.425 445 HZ3 LYS 54 2HZ LYS 54 1.453 -11.367 7.455 446 H SER 55 H SER 55 6.960 -6.333 10.196 447 HA SER 55 HA SER 55 5.682 -4.564 12.011 448 HB2 SER 55 2HB SER 55 7.807 -4.285 13.010 449 HB3 SER 55 1HB SER 55 7.817 -5.935 12.387 450 HG SER 55 HG SER 55 9.092 -5.287 10.704 451 H LYS 56 H LYS 56 7.319 -4.134 8.967 452 HA LYS 56 HA LYS 56 7.512 -1.258 9.279 453 HB2 LYS 56 2HB LYS 56 9.021 -3.012 7.894 454 HB3 LYS 56 1HB LYS 56 7.927 -2.496 6.619 455 HG2 LYS 56 2HG LYS 56 8.585 -0.215 6.880 456 HG3 LYS 56 1HG LYS 56 9.523 -0.600 8.323 457 HD2 LYS 56 2HD LYS 56 11.245 -1.497 7.130 458 HD3 LYS 56 1HD LYS 56 10.192 -2.064 5.831 459 HE2 LYS 56 2HE LYS 56 10.133 0.024 4.803 460 HE3 LYS 56 1HE LYS 56 10.659 0.863 6.263 461 HZ1 LYS 56 3HZ LYS 56 12.522 -1.076 5.161 462 HZ2 LYS 56 1HZ LYS 56 12.815 0.449 5.829 463 HZ3 LYS 56 2HZ LYS 56 12.275 0.314 4.231 464 H LYS 57 H LYS 57 6.203 0.246 8.377 465 HA LYS 57 HA LYS 57 3.977 -0.703 6.700 466 HB2 LYS 57 2HB LYS 57 3.910 0.881 9.216 467 HB3 LYS 57 1HB LYS 57 2.782 1.338 7.949 468 HG2 LYS 57 2HG LYS 57 1.929 -0.969 7.906 469 HG3 LYS 57 1HG LYS 57 3.023 -1.376 9.229 470 HD2 LYS 57 2HD LYS 57 1.214 0.953 9.592 471 HD3 LYS 57 1HD LYS 57 0.501 -0.661 9.651 472 HE2 LYS 57 2HE LYS 57 1.560 -1.208 11.585 473 HE3 LYS 57 1HE LYS 57 2.982 -0.236 11.208 474 HZ1 LYS 57 3HZ LYS 57 0.606 0.475 12.673 475 HZ2 LYS 57 1HZ LYS 57 1.066 1.632 11.527 476 HZ3 LYS 57 2HZ LYS 57 2.154 1.152 12.729 477 H GLY 58 H GLY 58 3.046 0.920 5.293 478 HA2 GLY 58 2HA GLY 58 4.199 3.499 5.001 479 HA3 GLY 58 1HA GLY 58 4.921 2.380 3.857 480 H ILE 59 H ILE 59 3.726 4.416 2.733 481 HA ILE 59 HA ILE 59 1.098 3.407 1.854 482 HB ILE 59 HB ILE 59 0.819 5.882 1.066 483 HG12 ILE 59 2HG1 ILE 59 2.895 6.141 3.257 484 HG13 ILE 59 1HG1 ILE 59 3.070 6.643 1.580 485 HG21 ILE 59 1HG2 ILE 59 -0.777 5.592 2.585 486 HG22 ILE 59 2HG2 ILE 59 0.344 6.240 3.783 487 HG23 ILE 59 3HG2 ILE 59 0.230 4.499 3.531 488 HD11 ILE 59 3HD1 ILE 59 1.756 7.984 3.830 489 HD12 ILE 59 1HD1 ILE 59 0.882 8.052 2.298 490 HD13 ILE 59 2HD1 ILE 59 2.537 8.655 2.398 491 H PHE 60 H PHE 60 0.574 3.696 -0.395 492 HA PHE 60 HA PHE 60 2.681 4.458 -2.218 493 HB2 PHE 60 2HB PHE 60 2.607 2.245 -3.413 494 HB3 PHE 60 1HB PHE 60 3.389 2.205 -1.836 495 HD1 PHE 60 1HD PHE 60 -0.009 1.735 -3.316 496 HD2 PHE 60 2HD PHE 60 2.859 0.468 -0.437 497 HE1 PHE 60 1HE PHE 60 -1.514 -0.078 -2.617 498 HE2 PHE 60 2HE PHE 60 1.356 -1.350 0.263 499 HZ PHE 60 HZ PHE 60 -0.834 -1.622 -0.834 500 HA PRO 61 HA PRO 61 -0.803 5.465 -4.737 501 HB2 PRO 61 2HB PRO 61 0.747 5.077 -7.168 502 HB3 PRO 61 1HB PRO 61 0.210 6.584 -6.425 503 HG2 PRO 61 2HG PRO 61 2.818 5.821 -6.519 504 HG3 PRO 61 1HG PRO 61 2.148 6.837 -5.229 505 HD2 PRO 61 2HD PRO 61 2.744 3.901 -5.215 506 HD3 PRO 61 1HD PRO 61 3.015 5.114 -3.946 507 H ALA 62 H ALA 62 -2.461 4.460 -5.746 508 HA ALA 62 HA ALA 62 -2.409 1.630 -6.028 509 HB1 ALA 62 1HB ALA 62 -4.657 1.771 -6.160 510 HB2 ALA 62 2HB ALA 62 -4.614 3.116 -7.301 511 HB3 ALA 62 3HB ALA 62 -4.372 3.412 -5.580 512 H SER 63 H SER 63 -1.386 4.083 -8.096 513 HA SER 63 HA SER 63 -2.179 3.369 -10.620 514 HB2 SER 63 2HB SER 63 0.624 4.222 -9.867 515 HB3 SER 63 1HB SER 63 -0.150 4.410 -11.441 516 HG SER 63 HG SER 63 -0.624 5.791 -9.044 517 H TYR 64 H TYR 64 -0.016 1.640 -8.512 518 HA TYR 64 HA TYR 64 0.248 -0.423 -10.585 519 HB2 TYR 64 2HB TYR 64 2.590 -0.821 -9.890 520 HB3 TYR 64 1HB TYR 64 2.352 0.772 -10.600 521 HD1 TYR 64 2HD TYR 64 2.474 2.782 -9.209 522 HD2 TYR 64 1HD TYR 64 3.177 -1.078 -7.565 523 HE1 TYR 64 2HE TYR 64 3.497 3.819 -7.227 524 HE2 TYR 64 1HE TYR 64 4.200 -0.054 -5.580 525 HH TYR 64 HH TYR 64 4.315 1.978 -4.401 526 H ILE 65 H ILE 65 -1.626 -0.443 -8.519 527 HA ILE 65 HA ILE 65 -0.577 -2.611 -6.816 528 HB ILE 65 HB ILE 65 -2.751 -0.669 -6.030 529 HG12 ILE 65 2HG1 ILE 65 -0.581 0.467 -6.157 530 HG13 ILE 65 1HG1 ILE 65 -1.099 0.288 -4.484 531 HG21 ILE 65 1HG2 ILE 65 -1.614 -3.117 -4.840 532 HG22 ILE 65 2HG2 ILE 65 -3.226 -2.419 -4.682 533 HG23 ILE 65 3HG2 ILE 65 -1.888 -1.770 -3.734 534 HD11 ILE 65 3HD1 ILE 65 1.052 -1.199 -5.942 535 HD12 ILE 65 1HD1 ILE 65 0.369 -1.789 -4.427 536 HD13 ILE 65 2HD1 ILE 65 1.177 -0.224 -4.479 537 H HIS 66 H HIS 66 -1.695 -4.475 -6.781 538 HA HIS 66 HA HIS 66 -4.406 -4.524 -7.899 539 HB2 HIS 66 2HB HIS 66 -2.652 -5.151 -9.637 540 HB3 HIS 66 1HB HIS 66 -2.335 -6.582 -8.660 541 HD1 HIS 66 1HD HIS 66 -3.617 -6.393 -11.632 542 HD2 HIS 66 2HD HIS 66 -5.581 -7.235 -8.068 543 HE1 HIS 66 1HE HIS 66 -5.689 -7.658 -12.289 544 HE2 HIS 66 2HE HIS 66 -6.904 -8.080 -10.123 545 H LEU 67 H LEU 67 -5.658 -5.311 -6.348 546 HA LEU 67 HA LEU 67 -4.622 -6.964 -4.242 547 HB2 LEU 67 2HB LEU 67 -7.271 -5.762 -4.906 548 HB3 LEU 67 1HB LEU 67 -7.209 -7.074 -3.743 549 HG LEU 67 HG LEU 67 -5.620 -4.521 -3.481 550 HD11 LEU 67 1HD1 LEU 67 -7.690 -3.659 -3.131 551 HD12 LEU 67 2HD1 LEU 67 -7.411 -4.330 -1.524 552 HD13 LEU 67 3HD1 LEU 67 -8.388 -5.218 -2.693 553 HD21 LEU 67 3HD2 LEU 67 -6.211 -6.743 -1.530 554 HD22 LEU 67 1HD2 LEU 67 -5.320 -5.264 -1.172 555 HD23 LEU 67 2HD2 LEU 67 -4.662 -6.435 -2.314 556 H LYS 68 H LYS 68 -4.650 -9.118 -4.084 557 HA LYS 68 HA LYS 68 -6.141 -10.628 -6.129 558 HB2 LYS 68 2HB LYS 68 -3.668 -11.567 -4.675 559 HB3 LYS 68 1HB LYS 68 -4.436 -12.310 -6.070 560 HG2 LYS 68 2HG LYS 68 -3.546 -9.523 -6.423 561 HG3 LYS 68 1HG LYS 68 -2.274 -10.729 -6.221 562 HD2 LYS 68 2HD LYS 68 -2.973 -11.937 -8.117 563 HD3 LYS 68 1HD LYS 68 -4.529 -11.103 -8.172 564 HE2 LYS 68 2HE LYS 68 -3.072 -8.977 -8.520 565 HE3 LYS 68 1HE LYS 68 -1.822 -10.128 -8.992 566 HZ1 LYS 68 3HZ LYS 68 -4.525 -9.993 -10.213 567 HZ2 LYS 68 1HZ LYS 68 -3.235 -10.967 -10.717 568 HZ3 LYS 68 2HZ LYS 68 -3.139 -9.286 -10.877 569 H GLU 69 H GLU 69 -5.912 -13.156 -5.083 570 HA GLU 69 HA GLU 69 -7.773 -12.998 -2.859 571 HB2 GLU 69 2HB GLU 69 -6.841 -15.495 -4.273 572 HB3 GLU 69 1HB GLU 69 -8.311 -15.271 -3.337 573 HG2 GLU 69 2HG GLU 69 -9.434 -14.403 -5.066 574 HG3 GLU 69 1HG GLU 69 -8.048 -13.476 -5.638 575 H ALA 70 H ALA 70 -7.074 -15.686 -1.890 576 HA ALA 70 HA ALA 70 -4.627 -14.992 -0.404 577 HB1 ALA 70 1HB ALA 70 -5.599 -16.455 1.412 578 HB2 ALA 70 2HB ALA 70 -7.107 -16.434 0.498 579 HB3 ALA 70 3HB ALA 70 -6.432 -14.928 1.122 580 H ILE 71 H ILE 71 -3.869 -17.205 0.760 581 HA ILE 71 HA ILE 71 -3.653 -19.227 -1.376 582 HB ILE 71 HB ILE 71 -1.361 -19.720 -0.363 583 HG12 ILE 71 2HG1 ILE 71 -1.581 -16.874 0.619 584 HG13 ILE 71 1HG1 ILE 71 -1.845 -18.261 1.672 585 HG21 ILE 71 1HG2 ILE 71 -2.051 -18.335 -2.503 586 HG22 ILE 71 2HG2 ILE 71 -0.370 -18.451 -1.980 587 HG23 ILE 71 3HG2 ILE 71 -1.318 -17.016 -1.592 588 HD11 ILE 71 3HD1 ILE 71 0.545 -18.899 0.579 589 HD12 ILE 71 1HD1 ILE 71 0.337 -18.036 2.103 590 HD13 ILE 71 2HD1 ILE 71 0.643 -17.138 0.617 591 H VAL 72 H VAL 72 -5.389 -20.375 -0.376 592 HA VAL 72 HA VAL 72 -4.822 -21.512 2.267 593 HB VAL 72 HB VAL 72 -7.181 -22.427 2.047 594 HG11 VAL 72 1HG1 VAL 72 -7.947 -20.623 3.162 595 HG12 VAL 72 2HG1 VAL 72 -7.452 -19.499 1.897 596 HG13 VAL 72 3HG1 VAL 72 -6.266 -20.101 3.055 597 HG21 VAL 72 3HG2 VAL 72 -8.496 -21.964 0.278 598 HG22 VAL 72 1HG2 VAL 72 -6.963 -21.731 -0.561 599 HG23 VAL 72 2HG2 VAL 72 -7.836 -20.341 0.082 600 H GLU 73 H GLU 73 -3.405 -23.163 1.951 601 HA GLU 73 HA GLU 73 -4.263 -25.308 0.122 602 HB2 GLU 73 2HB GLU 73 -1.874 -23.862 0.052 603 HB3 GLU 73 1HB GLU 73 -1.441 -25.401 0.784 604 HG2 GLU 73 2HG GLU 73 -1.109 -25.649 -1.530 605 HG3 GLU 73 1HG GLU 73 -2.593 -26.521 -1.150 606 H GLY 74 H GLY 74 -4.498 -27.302 0.957 607 HA2 GLY 74 2HA GLY 74 -4.423 -29.046 2.458 608 HA3 GLY 74 1HA GLY 74 -3.095 -28.222 3.262 Start of MODEL 15 1 H1 MET 1 1HT MET 1 -15.713 17.167 8.923 2 H2 MET 1 2HT MET 1 -15.012 18.027 7.612 3 H3 MET 1 3HT MET 1 -14.829 18.605 9.218 4 HA MET 1 HA MET 1 -12.831 17.599 8.515 5 HB2 MET 1 2HB MET 1 -14.479 16.039 10.509 6 HB3 MET 1 1HB MET 1 -12.754 15.785 10.286 7 HG2 MET 1 2HG MET 1 -12.627 17.260 11.976 8 HG3 MET 1 1HG MET 1 -12.742 18.425 10.658 9 HE1 MET 1 2HE MET 1 -13.578 20.226 11.114 10 HE2 MET 1 3HE MET 1 -14.671 20.645 12.434 11 HE3 MET 1 1HE MET 1 -15.312 20.356 10.817 12 H THR 2 H THR 2 -11.762 16.088 7.350 13 HA THR 2 HA THR 2 -13.258 13.735 6.418 14 HB THR 2 HB THR 2 -11.805 14.191 4.230 15 HG1 THR 2 1HG THR 2 -12.346 16.797 5.207 16 HG21 THR 2 3HG2 THR 2 -14.214 15.917 4.460 17 HG22 THR 2 1HG2 THR 2 -14.389 14.168 4.600 18 HG23 THR 2 2HG2 THR 2 -13.693 14.871 3.140 19 H ARG 3 H ARG 3 -12.143 12.358 7.778 20 HA ARG 3 HA ARG 3 -9.264 12.366 7.873 21 HB2 ARG 3 2HB ARG 3 -11.410 11.201 9.386 22 HB3 ARG 3 1HB ARG 3 -10.259 9.946 8.947 23 HG2 ARG 3 2HG ARG 3 -9.107 12.450 9.991 24 HG3 ARG 3 1HG ARG 3 -10.031 11.476 11.135 25 HD2 ARG 3 2HD ARG 3 -8.653 9.508 10.452 26 HD3 ARG 3 1HD ARG 3 -7.658 10.606 9.494 27 HE ARG 3 HE ARG 3 -7.893 11.432 12.221 28 HH11 ARG 3 1HH1 ARG 3 -6.180 9.294 10.060 29 HH12 ARG 3 2HH1 ARG 3 -4.776 9.197 11.068 30 HH21 ARG 3 1HH2 ARG 3 -6.047 11.308 13.549 31 HH22 ARG 3 2HH2 ARG 3 -4.699 10.339 13.048 32 H TRP 4 H TRP 4 -8.061 10.276 7.494 33 HA TRP 4 HA TRP 4 -8.340 9.513 4.791 34 HB2 TRP 4 2HB TRP 4 -6.378 9.277 6.768 35 HB3 TRP 4 1HB TRP 4 -6.790 7.617 6.349 36 HD1 TRP 4 HD TRP 4 -6.546 10.641 3.954 37 HE1 TRP 4 1HE TRP 4 -4.824 10.081 2.125 38 HE3 TRP 4 3HE TRP 4 -4.981 6.138 5.709 39 HZ2 TRP 4 2HZ TRP 4 -3.033 7.979 1.515 40 HZ3 TRP 4 3HZ TRP 4 -3.259 4.899 4.457 41 HH2 TRP 4 HH TRP 4 -2.306 5.806 2.396 42 H VAL 5 H VAL 5 -9.935 8.296 4.032 43 HA VAL 5 HA VAL 5 -11.597 6.634 5.528 44 HB VAL 5 HB VAL 5 -12.128 5.563 3.244 45 HG11 VAL 5 1HG1 VAL 5 -12.516 8.452 3.944 46 HG12 VAL 5 2HG1 VAL 5 -13.660 7.116 4.071 47 HG13 VAL 5 3HG1 VAL 5 -13.225 7.759 2.486 48 HG21 VAL 5 3HG2 VAL 5 -9.910 6.280 2.272 49 HG22 VAL 5 1HG2 VAL 5 -10.561 7.917 2.215 50 HG23 VAL 5 2HG2 VAL 5 -11.331 6.631 1.288 51 HA PRO 6 HA PRO 6 -8.973 3.052 5.966 52 HB2 PRO 6 2HB PRO 6 -10.712 1.448 7.232 53 HB3 PRO 6 1HB PRO 6 -10.001 2.856 8.031 54 HG2 PRO 6 2HG PRO 6 -12.704 2.549 6.785 55 HG3 PRO 6 1HG PRO 6 -12.257 3.335 8.311 56 HD2 PRO 6 2HD PRO 6 -12.721 4.688 5.971 57 HD3 PRO 6 1HD PRO 6 -11.673 5.290 7.271 58 H THR 7 H THR 7 -9.053 0.699 5.414 59 HA THR 7 HA THR 7 -10.903 0.155 3.191 60 HB THR 7 HB THR 7 -8.424 -1.222 2.768 61 HG1 THR 7 1HG THR 7 -8.204 1.577 3.133 62 HG21 THR 7 3HG2 THR 7 -9.735 -0.826 0.891 63 HG22 THR 7 1HG2 THR 7 -8.387 0.298 0.720 64 HG23 THR 7 2HG2 THR 7 -9.953 0.879 1.287 65 H LYS 8 H LYS 8 -12.207 -1.081 4.560 66 HA LYS 8 HA LYS 8 -10.995 -3.553 5.598 67 HB2 LYS 8 2HB LYS 8 -12.511 -1.753 6.954 68 HB3 LYS 8 1HB LYS 8 -13.754 -2.867 6.401 69 HG2 LYS 8 2HG LYS 8 -13.270 -4.048 8.224 70 HG3 LYS 8 1HG LYS 8 -11.823 -4.562 7.355 71 HD2 LYS 8 2HD LYS 8 -11.720 -1.983 8.826 72 HD3 LYS 8 1HD LYS 8 -11.703 -3.472 9.772 73 HE2 LYS 8 2HE LYS 8 -9.549 -3.758 9.312 74 HE3 LYS 8 1HE LYS 8 -9.902 -3.768 7.586 75 HZ1 LYS 8 3HZ LYS 8 -8.354 -2.041 7.985 76 HZ2 LYS 8 1HZ LYS 8 -9.251 -1.423 9.279 77 HZ3 LYS 8 2HZ LYS 8 -9.841 -1.288 7.699 78 H ARG 9 H ARG 9 -12.917 -5.300 5.774 79 HA ARG 9 HA ARG 9 -14.175 -6.821 4.651 80 HB2 ARG 9 2HB ARG 9 -14.993 -4.326 3.168 81 HB3 ARG 9 1HB ARG 9 -15.679 -5.904 2.809 82 HG2 ARG 9 2HG ARG 9 -16.720 -6.055 4.898 83 HG3 ARG 9 1HG ARG 9 -15.730 -4.763 5.580 84 HD2 ARG 9 2HD ARG 9 -17.025 -3.617 3.386 85 HD3 ARG 9 1HD ARG 9 -18.248 -4.608 4.179 86 HE ARG 9 HE ARG 9 -17.133 -3.258 6.235 87 HH11 ARG 9 1HH1 ARG 9 -18.460 -2.247 3.171 88 HH12 ARG 9 2HH1 ARG 9 -18.981 -0.706 3.762 89 HH21 ARG 9 1HH2 ARG 9 -17.816 -1.231 7.016 90 HH22 ARG 9 2HH2 ARG 9 -18.614 -0.127 5.946 91 H GLU 10 H GLU 10 -11.761 -7.265 4.033 92 HA GLU 10 HA GLU 10 -11.782 -7.871 1.193 93 HB2 GLU 10 2HB GLU 10 -10.004 -5.868 2.431 94 HB3 GLU 10 1HB GLU 10 -9.197 -7.046 1.405 95 HG2 GLU 10 2HG GLU 10 -10.942 -6.467 -0.353 96 HG3 GLU 10 1HG GLU 10 -11.336 -5.082 0.664 97 H GLU 11 H GLU 11 -9.601 -7.893 4.018 98 HA GLU 11 HA GLU 11 -8.301 -9.526 4.924 99 HB2 GLU 11 2HB GLU 11 -10.662 -10.448 5.225 100 HB3 GLU 11 1HB GLU 11 -10.317 -11.490 3.851 101 HG2 GLU 11 2HG GLU 11 -8.784 -12.744 5.008 102 HG3 GLU 11 1HG GLU 11 -8.426 -11.449 6.148 103 H LYS 12 H LYS 12 -7.825 -8.757 2.138 104 HA LYS 12 HA LYS 12 -6.162 -11.036 1.409 105 HB2 LYS 12 2HB LYS 12 -8.443 -10.008 -0.189 106 HB3 LYS 12 1HB LYS 12 -6.971 -10.391 -1.069 107 HG2 LYS 12 2HG LYS 12 -7.800 -12.459 -1.168 108 HG3 LYS 12 1HG LYS 12 -7.262 -12.596 0.506 109 HD2 LYS 12 2HD LYS 12 -9.411 -12.171 1.348 110 HD3 LYS 12 1HD LYS 12 -9.977 -11.515 -0.189 111 HE2 LYS 12 2HE LYS 12 -10.945 -13.593 -0.235 112 HE3 LYS 12 1HE LYS 12 -9.425 -13.925 -1.064 113 HZ1 LYS 12 3HZ LYS 12 -10.282 -14.708 1.628 114 HZ2 LYS 12 1HZ LYS 12 -8.632 -14.452 1.351 115 HZ3 LYS 12 2HZ LYS 12 -9.472 -15.613 0.451 116 H TYR 13 H TYR 13 -4.280 -10.485 0.369 117 HA TYR 13 HA TYR 13 -3.739 -7.604 0.196 118 HB2 TYR 13 2HB TYR 13 -1.294 -8.492 0.092 119 HB3 TYR 13 1HB TYR 13 -2.143 -8.498 1.633 120 HD1 TYR 13 1HD TYR 13 -2.036 -10.823 -1.301 121 HD2 TYR 13 2HD TYR 13 -1.592 -10.335 2.902 122 HE1 TYR 13 1HE TYR 13 -1.598 -13.231 -1.073 123 HE2 TYR 13 2HE TYR 13 -1.151 -12.742 3.141 124 HH TYR 13 HH TYR 13 -1.621 -14.831 1.906 125 H GLY 14 H GLY 14 -1.846 -7.193 -1.480 126 HA2 GLY 14 2HA GLY 14 -2.382 -8.691 -3.952 127 HA3 GLY 14 1HA GLY 14 -2.597 -6.947 -3.950 128 H VAL 15 H VAL 15 -0.920 -7.772 -5.771 129 HA VAL 15 HA VAL 15 1.793 -7.680 -4.672 130 HB VAL 15 HB VAL 15 0.959 -8.159 -7.537 131 HG11 VAL 15 1HG1 VAL 15 3.148 -7.675 -7.804 132 HG12 VAL 15 2HG1 VAL 15 3.360 -9.341 -7.264 133 HG13 VAL 15 3HG1 VAL 15 3.540 -8.012 -6.118 134 HG21 VAL 15 3HG2 VAL 15 0.395 -9.841 -5.483 135 HG22 VAL 15 1HG2 VAL 15 1.997 -10.408 -5.956 136 HG23 VAL 15 2HG2 VAL 15 0.694 -10.358 -7.143 137 H ALA 16 H ALA 16 3.290 -6.122 -5.293 138 HA ALA 16 HA ALA 16 2.168 -3.762 -6.660 139 HB1 ALA 16 1HB ALA 16 4.245 -3.665 -4.484 140 HB2 ALA 16 2HB ALA 16 2.515 -3.506 -4.179 141 HB3 ALA 16 3HB ALA 16 3.346 -2.321 -5.187 142 H PHE 17 H PHE 17 3.067 -3.760 -8.645 143 HA PHE 17 HA PHE 17 5.866 -4.546 -8.944 144 HB2 PHE 17 2HB PHE 17 5.290 -4.150 -11.441 145 HB3 PHE 17 1HB PHE 17 4.604 -5.554 -10.633 146 HD1 PHE 17 2HD PHE 17 2.236 -5.658 -10.116 147 HD2 PHE 17 1HD PHE 17 3.912 -2.300 -12.123 148 HE1 PHE 17 2HE PHE 17 -0.021 -4.928 -10.773 149 HE2 PHE 17 1HE PHE 17 1.658 -1.563 -12.780 150 HZ PHE 17 HZ PHE 17 -0.311 -2.878 -12.106 151 H TYR 18 H TYR 18 6.970 -2.809 -8.082 152 HA TYR 18 HA TYR 18 7.301 -0.572 -9.837 153 HB2 TYR 18 2HB TYR 18 5.273 -0.033 -8.332 154 HB3 TYR 18 1HB TYR 18 6.458 0.146 -7.041 155 HD1 TYR 18 1HD TYR 18 8.084 1.964 -7.093 156 HD2 TYR 18 2HD TYR 18 5.113 1.591 -10.113 157 HE1 TYR 18 1HE TYR 18 8.543 4.268 -7.812 158 HE2 TYR 18 2HE TYR 18 5.574 3.898 -10.845 159 HH TYR 18 HH TYR 18 7.809 5.499 -10.615 160 H ASN 19 H ASN 19 9.074 0.830 -9.183 161 HA ASN 19 HA ASN 19 10.984 -0.596 -7.457 162 HB2 ASN 19 2HB ASN 19 11.495 1.404 -9.674 163 HB3 ASN 19 1HB ASN 19 12.742 0.643 -8.690 164 HD21 ASN 19 1HD2 ASN 19 12.454 -1.852 -8.633 165 HD22 ASN 19 2HD2 ASN 19 12.243 -2.590 -10.180 166 H TYR 20 H TYR 20 9.385 0.637 -5.884 167 HA TYR 20 HA TYR 20 10.133 3.411 -5.465 168 HB2 TYR 20 2HB TYR 20 7.774 2.385 -5.186 169 HB3 TYR 20 1HB TYR 20 8.375 1.792 -3.643 170 HD1 TYR 20 2HD TYR 20 9.694 3.761 -2.281 171 HD2 TYR 20 1HD TYR 20 6.547 4.322 -5.090 172 HE1 TYR 20 2HE TYR 20 9.155 5.921 -1.237 173 HE2 TYR 20 1HE TYR 20 5.998 6.482 -4.051 174 HH TYR 20 HH TYR 20 7.004 8.176 -2.680 175 H ASP 21 H ASP 21 11.463 4.168 -3.928 176 HA ASP 21 HA ASP 21 12.587 2.234 -2.010 177 HB2 ASP 21 2HB ASP 21 14.048 3.208 -3.994 178 HB3 ASP 21 1HB ASP 21 14.198 4.583 -2.906 179 H ALA 22 H ALA 22 11.776 2.719 -0.087 180 HA ALA 22 HA ALA 22 10.750 5.238 0.651 181 HB1 ALA 22 1HB ALA 22 11.298 2.684 2.057 182 HB2 ALA 22 2HB ALA 22 9.798 3.601 1.912 183 HB3 ALA 22 3HB ALA 22 11.049 4.128 3.036 184 H ARG 23 H ARG 23 11.689 7.002 1.444 185 HA ARG 23 HA ARG 23 14.546 7.094 1.742 186 HB2 ARG 23 2HB ARG 23 13.066 8.939 0.786 187 HB3 ARG 23 1HB ARG 23 12.596 9.287 2.444 188 HG2 ARG 23 2HG ARG 23 15.266 9.326 2.715 189 HG3 ARG 23 1HG ARG 23 15.123 9.833 1.031 190 HD2 ARG 23 2HD ARG 23 13.378 11.107 3.086 191 HD3 ARG 23 1HD ARG 23 15.069 11.592 2.982 192 HE ARG 23 HE ARG 23 12.969 12.204 1.116 193 HH11 ARG 23 1HH1 ARG 23 16.417 11.855 1.532 194 HH12 ARG 23 2HH1 ARG 23 16.808 12.889 0.200 195 HH21 ARG 23 1HH2 ARG 23 13.482 13.566 -0.636 196 HH22 ARG 23 2HH2 ARG 23 15.143 13.862 -1.030 197 H GLY 24 H GLY 24 11.801 6.791 3.842 198 HA2 GLY 24 2HA GLY 24 13.533 6.287 6.093 199 HA3 GLY 24 1HA GLY 24 12.587 7.760 6.253 200 H ALA 25 H ALA 25 11.622 6.743 8.118 201 HA ALA 25 HA ALA 25 10.074 4.363 7.865 202 HB1 ALA 25 1HB ALA 25 10.592 4.627 10.051 203 HB2 ALA 25 2HB ALA 25 9.050 5.480 10.073 204 HB3 ALA 25 3HB ALA 25 10.556 6.388 9.961 205 H ASP 26 H ASP 26 9.468 7.727 7.281 206 HA ASP 26 HA ASP 26 6.700 7.843 7.541 207 HB2 ASP 26 2HB ASP 26 8.501 9.291 5.590 208 HB3 ASP 26 1HB ASP 26 6.819 9.715 5.899 209 H GLU 27 H GLU 27 8.691 6.650 4.897 210 HA GLU 27 HA GLU 27 6.239 5.677 3.584 211 HB2 GLU 27 2HB GLU 27 8.593 7.097 2.470 212 HB3 GLU 27 1HB GLU 27 7.945 5.777 1.507 213 HG2 GLU 27 2HG GLU 27 6.701 7.460 0.660 214 HG3 GLU 27 1HG GLU 27 5.665 7.029 2.017 215 H LEU 28 H LEU 28 6.471 3.694 2.371 216 HA LEU 28 HA LEU 28 8.614 1.979 3.446 217 HB2 LEU 28 2HB LEU 28 6.413 1.329 4.244 218 HB3 LEU 28 1HB LEU 28 5.808 1.257 2.599 219 HG LEU 28 HG LEU 28 8.127 -0.473 3.208 220 HD11 LEU 28 1HD1 LEU 28 6.438 -2.202 4.083 221 HD12 LEU 28 2HD1 LEU 28 5.439 -0.804 4.483 222 HD13 LEU 28 3HD1 LEU 28 7.042 -0.978 5.200 223 HD21 LEU 28 3HD2 LEU 28 6.964 -0.371 1.008 224 HD22 LEU 28 1HD2 LEU 28 5.525 -1.020 1.793 225 HD23 LEU 28 2HD2 LEU 28 7.002 -1.981 1.727 226 H SER 29 H SER 29 9.877 0.862 2.070 227 HA SER 29 HA SER 29 9.893 1.581 -0.680 228 HB2 SER 29 2HB SER 29 11.442 -0.811 0.015 229 HB3 SER 29 1HB SER 29 11.981 0.724 -0.668 230 HG SER 29 HG SER 29 12.857 0.786 1.292 231 H LEU 30 H LEU 30 9.217 0.499 -2.458 232 HA LEU 30 HA LEU 30 7.816 -2.057 -2.022 233 HB2 LEU 30 2HB LEU 30 7.009 0.403 -3.455 234 HB3 LEU 30 1HB LEU 30 6.625 -1.111 -4.251 235 HG LEU 30 HG LEU 30 5.766 -0.351 -1.458 236 HD11 LEU 30 1HD1 LEU 30 3.503 -0.262 -2.493 237 HD12 LEU 30 2HD1 LEU 30 4.274 -0.383 -4.074 238 HD13 LEU 30 3HD1 LEU 30 4.597 1.009 -3.040 239 HD21 LEU 30 3HD2 LEU 30 6.075 -2.873 -2.506 240 HD22 LEU 30 1HD2 LEU 30 4.375 -2.521 -2.819 241 HD23 LEU 30 2HD2 LEU 30 5.005 -2.433 -1.175 242 H GLN 31 H GLN 31 8.445 -3.730 -3.231 243 HA GLN 31 HA GLN 31 10.204 -3.180 -5.533 244 HB2 GLN 31 2HB GLN 31 10.315 -5.563 -3.677 245 HB3 GLN 31 1HB GLN 31 11.389 -5.252 -5.033 246 HG2 GLN 31 2HG GLN 31 12.709 -3.971 -3.800 247 HG3 GLN 31 1HG GLN 31 11.347 -3.020 -3.211 248 HE21 GLN 31 1HE2 GLN 31 10.319 -3.630 -1.297 249 HE22 GLN 31 2HE2 GLN 31 11.067 -4.692 -0.158 250 H ILE 32 H ILE 32 9.966 -4.432 -7.374 251 HA ILE 32 HA ILE 32 7.370 -5.303 -7.990 252 HB ILE 32 HB ILE 32 9.914 -6.045 -9.438 253 HG12 ILE 32 2HG1 ILE 32 8.089 -3.657 -9.812 254 HG13 ILE 32 1HG1 ILE 32 9.717 -3.610 -9.143 255 HG21 ILE 32 1HG2 ILE 32 7.056 -6.445 -9.972 256 HG22 ILE 32 2HG2 ILE 32 8.460 -7.324 -10.577 257 HG23 ILE 32 3HG2 ILE 32 7.982 -5.799 -11.326 258 HD11 ILE 32 3HD1 ILE 32 8.844 -3.603 -11.894 259 HD12 ILE 32 1HD1 ILE 32 10.033 -4.867 -11.584 260 HD13 ILE 32 2HD1 ILE 32 10.412 -3.187 -11.203 261 H GLY 33 H GLY 33 6.344 -7.153 -7.610 262 HA2 GLY 33 2HA GLY 33 6.184 -9.527 -7.602 263 HA3 GLY 33 1HA GLY 33 7.906 -9.614 -7.262 264 H ASP 34 H ASP 34 6.810 -7.262 -5.273 265 HA ASP 34 HA ASP 34 6.642 -9.122 -3.029 266 HB2 ASP 34 2HB ASP 34 7.208 -6.178 -3.261 267 HB3 ASP 34 1HB ASP 34 6.779 -6.896 -1.712 268 H THR 35 H THR 35 4.933 -9.200 -1.604 269 HA THR 35 HA THR 35 2.423 -8.100 -2.618 270 HB THR 35 HB THR 35 2.684 -9.976 -0.282 271 HG1 THR 35 1HG THR 35 3.437 -11.417 -1.583 272 HG21 THR 35 3HG2 THR 35 0.527 -10.737 -0.872 273 HG22 THR 35 1HG2 THR 35 0.556 -9.847 -2.396 274 HG23 THR 35 2HG2 THR 35 0.465 -8.974 -0.866 275 H VAL 36 H VAL 36 0.925 -7.028 -1.208 276 HA VAL 36 HA VAL 36 2.035 -5.964 1.280 277 HB VAL 36 HB VAL 36 1.147 -3.672 0.614 278 HG11 VAL 36 1HG1 VAL 36 3.407 -3.598 0.737 279 HG12 VAL 36 2HG1 VAL 36 3.258 -3.416 -1.012 280 HG13 VAL 36 3HG1 VAL 36 3.620 -4.996 -0.316 281 HG21 VAL 36 3HG2 VAL 36 0.136 -4.936 -1.545 282 HG22 VAL 36 1HG2 VAL 36 1.645 -4.316 -2.216 283 HG23 VAL 36 2HG2 VAL 36 0.481 -3.208 -1.490 284 H HIS 37 H HIS 37 0.557 -5.590 2.851 285 HA HIS 37 HA HIS 37 -2.207 -6.351 2.254 286 HB2 HIS 37 2HB HIS 37 -0.803 -7.426 4.131 287 HB3 HIS 37 1HB HIS 37 -1.062 -5.921 5.007 288 HD1 HIS 37 1HD HIS 37 -3.979 -5.367 4.519 289 HD2 HIS 37 2HD HIS 37 -2.509 -9.178 5.284 290 HE1 HIS 37 1HE HIS 37 -5.936 -6.678 5.398 291 HE2 HIS 37 2HE HIS 37 -5.000 -8.952 5.944 292 H ILE 38 H ILE 38 -3.450 -4.682 1.708 293 HA ILE 38 HA ILE 38 -2.936 -2.010 2.629 294 HB ILE 38 HB ILE 38 -5.384 -2.977 1.160 295 HG12 ILE 38 2HG1 ILE 38 -3.590 -1.745 -0.635 296 HG13 ILE 38 1HG1 ILE 38 -2.638 -2.906 0.285 297 HG21 ILE 38 1HG2 ILE 38 -4.274 -0.353 1.904 298 HG22 ILE 38 2HG2 ILE 38 -5.945 -0.844 1.619 299 HG23 ILE 38 3HG2 ILE 38 -4.885 -0.488 0.255 300 HD11 ILE 38 3HD1 ILE 38 -4.155 -3.448 -1.932 301 HD12 ILE 38 1HD1 ILE 38 -5.178 -3.996 -0.603 302 HD13 ILE 38 2HD1 ILE 38 -3.541 -4.632 -0.779 303 H LEU 39 H LEU 39 -3.890 -0.907 4.225 304 HA LEU 39 HA LEU 39 -6.153 -2.168 5.630 305 HB2 LEU 39 2HB LEU 39 -5.181 -0.988 7.695 306 HB3 LEU 39 1HB LEU 39 -4.417 -2.466 7.143 307 HG LEU 39 HG LEU 39 -2.806 -0.865 5.871 308 HD11 LEU 39 1HD1 LEU 39 -4.479 1.021 7.100 309 HD12 LEU 39 2HD1 LEU 39 -2.979 1.318 6.220 310 HD13 LEU 39 3HD1 LEU 39 -2.945 1.087 7.968 311 HD21 LEU 39 3HD2 LEU 39 -1.931 -2.243 7.549 312 HD22 LEU 39 1HD2 LEU 39 -2.822 -1.409 8.822 313 HD23 LEU 39 2HD2 LEU 39 -1.466 -0.610 8.025 314 H GLU 40 H GLU 40 -4.544 0.811 4.675 315 HA GLU 40 HA GLU 40 -7.070 2.255 5.138 316 HB2 GLU 40 2HB GLU 40 -4.300 2.927 5.879 317 HB3 GLU 40 1HB GLU 40 -5.188 4.234 5.110 318 HG2 GLU 40 2HG GLU 40 -6.631 2.811 7.238 319 HG3 GLU 40 1HG GLU 40 -5.214 3.725 7.755 320 H THR 41 H THR 41 -7.632 3.860 3.589 321 HA THR 41 HA THR 41 -6.047 3.885 1.126 322 HB THR 41 HB THR 41 -7.752 2.166 0.802 323 HG1 THR 41 1HG THR 41 -8.648 4.395 -0.665 324 HG21 THR 41 3HG2 THR 41 -10.132 2.781 0.682 325 HG22 THR 41 1HG2 THR 41 -9.739 4.345 1.395 326 HG23 THR 41 2HG2 THR 41 -9.478 2.865 2.318 327 H TYR 42 H TYR 42 -7.059 5.527 -0.472 328 HA TYR 42 HA TYR 42 -8.658 7.639 0.443 329 HB2 TYR 42 2HB TYR 42 -6.656 7.993 1.927 330 HB3 TYR 42 1HB TYR 42 -5.712 8.318 0.477 331 HD1 TYR 42 1HD TYR 42 -8.728 9.476 2.330 332 HD2 TYR 42 2HD TYR 42 -5.609 10.483 -0.383 333 HE1 TYR 42 1HE TYR 42 -9.418 11.835 2.423 334 HE2 TYR 42 2HE TYR 42 -6.288 12.845 -0.297 335 HH TYR 42 HH TYR 42 -7.502 14.359 1.221 336 H GLU 43 H GLU 43 -8.304 6.078 -1.918 337 HA GLU 43 HA GLU 43 -8.315 6.299 -4.183 338 HB2 GLU 43 2HB GLU 43 -8.942 9.009 -3.177 339 HB3 GLU 43 1HB GLU 43 -8.396 8.924 -4.847 340 HG2 GLU 43 2HG GLU 43 -10.217 6.929 -4.816 341 HG3 GLU 43 1HG GLU 43 -10.914 8.034 -3.630 342 H GLY 44 H GLY 44 -6.341 5.572 -4.800 343 HA2 GLY 44 2HA GLY 44 -4.219 5.675 -5.686 344 HA3 GLY 44 1HA GLY 44 -4.483 7.400 -5.899 345 H TRP 45 H TRP 45 -4.582 5.657 -2.851 346 HA TRP 45 HA TRP 45 -1.968 6.180 -1.991 347 HB2 TRP 45 2HB TRP 45 -3.306 8.516 -2.153 348 HB3 TRP 45 1HB TRP 45 -3.773 8.026 -0.534 349 HD1 TRP 45 HD TRP 45 -2.454 10.167 0.384 350 HE1 TRP 45 1HE TRP 45 0.034 10.562 0.883 351 HE3 TRP 45 3HE TRP 45 -0.429 6.253 -2.250 352 HZ2 TRP 45 2HZ TRP 45 2.511 9.395 0.256 353 HZ3 TRP 45 3HZ TRP 45 2.009 5.979 -2.238 354 HH2 TRP 45 HH TRP 45 3.450 7.516 -1.012 355 H TYR 46 H TYR 46 -2.208 4.091 -1.174 356 HA TYR 46 HA TYR 46 -4.035 3.861 1.133 357 HB2 TYR 46 2HB TYR 46 -3.052 1.454 -0.364 358 HB3 TYR 46 1HB TYR 46 -4.498 1.635 0.619 359 HD1 TYR 46 2HD TYR 46 -5.535 4.188 -0.672 360 HD2 TYR 46 1HD TYR 46 -4.009 0.580 -2.329 361 HE1 TYR 46 2HE TYR 46 -6.874 4.561 -2.699 362 HE2 TYR 46 1HE TYR 46 -5.340 0.944 -4.362 363 HH TYR 46 HH TYR 46 -7.358 2.157 -5.049 364 H ARG 47 H ARG 47 -3.300 2.827 2.980 365 HA ARG 47 HA ARG 47 -0.377 2.587 3.167 366 HB2 ARG 47 2HB ARG 47 -1.370 4.284 4.636 367 HB3 ARG 47 1HB ARG 47 -2.424 3.068 5.339 368 HG2 ARG 47 2HG ARG 47 -0.101 1.893 5.844 369 HG3 ARG 47 1HG ARG 47 0.462 3.565 5.775 370 HD2 ARG 47 2HD ARG 47 -1.996 3.122 7.333 371 HD3 ARG 47 1HD ARG 47 -0.543 2.377 7.994 372 HE ARG 47 HE ARG 47 -1.138 5.195 7.830 373 HH11 ARG 47 1HH1 ARG 47 1.372 2.793 8.173 374 HH12 ARG 47 2HH1 ARG 47 2.480 3.883 8.937 375 HH21 ARG 47 1HH2 ARG 47 0.321 6.627 8.831 376 HH22 ARG 47 2HH2 ARG 47 1.885 6.058 9.311 377 H GLY 48 H GLY 48 0.556 0.765 4.094 378 HA2 GLY 48 2HA GLY 48 -0.931 -1.297 5.352 379 HA3 GLY 48 1HA GLY 48 -0.663 -1.691 3.661 380 H TYR 49 H TYR 49 0.436 -3.533 4.842 381 HA TYR 49 HA TYR 49 3.277 -2.841 5.161 382 HB2 TYR 49 2HB TYR 49 3.407 -4.633 6.929 383 HB3 TYR 49 1HB TYR 49 2.514 -3.191 7.399 384 HD1 TYR 49 1HD TYR 49 2.226 -6.739 6.475 385 HD2 TYR 49 2HD TYR 49 0.152 -3.286 7.844 386 HE1 TYR 49 1HE TYR 49 0.296 -8.142 7.071 387 HE2 TYR 49 2HE TYR 49 -1.783 -4.679 8.445 388 HH TYR 49 HH TYR 49 -1.826 -7.617 9.022 389 H THR 50 H THR 50 4.710 -4.216 4.223 390 HA THR 50 HA THR 50 3.765 -5.972 2.211 391 HB THR 50 HB THR 50 6.406 -6.642 2.508 392 HG1 THR 50 1HG THR 50 7.481 -4.756 3.089 393 HG21 THR 50 3HG2 THR 50 6.902 -4.855 0.860 394 HG22 THR 50 1HG2 THR 50 5.251 -4.272 1.066 395 HG23 THR 50 2HG2 THR 50 5.543 -5.887 0.419 396 H LEU 51 H LEU 51 3.958 -8.226 2.039 397 HA LEU 51 HA LEU 51 3.243 -9.696 4.307 398 HB2 LEU 51 2HB LEU 51 4.070 -10.355 1.532 399 HB3 LEU 51 1HB LEU 51 4.110 -11.653 2.710 400 HG LEU 51 HG LEU 51 2.001 -11.560 1.404 401 HD11 LEU 51 1HD1 LEU 51 0.552 -11.299 3.640 402 HD12 LEU 51 2HD1 LEU 51 2.160 -11.433 4.350 403 HD13 LEU 51 3HD1 LEU 51 1.553 -12.710 3.297 404 HD21 LEU 51 3HD2 LEU 51 2.126 -8.913 1.566 405 HD22 LEU 51 1HD2 LEU 51 1.098 -9.209 2.968 406 HD23 LEU 51 2HD2 LEU 51 0.598 -9.772 1.373 407 H ARG 52 H ARG 52 6.363 -8.978 2.921 408 HA ARG 52 HA ARG 52 7.815 -10.948 4.394 409 HB2 ARG 52 2HB ARG 52 8.779 -8.419 3.048 410 HB3 ARG 52 1HB ARG 52 9.811 -9.707 3.648 411 HG2 ARG 52 2HG ARG 52 7.718 -10.545 1.763 412 HG3 ARG 52 1HG ARG 52 8.970 -9.496 1.097 413 HD2 ARG 52 2HD ARG 52 9.618 -11.940 2.722 414 HD3 ARG 52 1HD ARG 52 9.366 -12.012 0.981 415 HE ARG 52 HE ARG 52 11.328 -10.758 0.660 416 HH11 ARG 52 1HH1 ARG 52 10.730 -11.410 4.044 417 HH12 ARG 52 2HH1 ARG 52 12.350 -11.032 4.525 418 HH21 ARG 52 1HH2 ARG 52 13.449 -10.262 1.300 419 HH22 ARG 52 2HH2 ARG 52 13.890 -10.379 2.971 420 H LYS 53 H LYS 53 8.006 -7.395 4.624 421 HA LYS 53 HA LYS 53 8.721 -7.675 7.449 422 HB2 LYS 53 2HB LYS 53 9.272 -5.206 7.222 423 HB3 LYS 53 1HB LYS 53 10.273 -6.314 6.295 424 HG2 LYS 53 2HG LYS 53 9.120 -5.772 4.274 425 HG3 LYS 53 1HG LYS 53 7.920 -4.826 5.154 426 HD2 LYS 53 2HD LYS 53 9.765 -3.313 5.891 427 HD3 LYS 53 1HD LYS 53 10.853 -4.203 4.823 428 HE2 LYS 53 2HE LYS 53 9.443 -3.613 2.909 429 HE3 LYS 53 1HE LYS 53 8.364 -2.720 3.981 430 HZ1 LYS 53 3HZ LYS 53 9.801 -1.009 4.149 431 HZ2 LYS 53 1HZ LYS 53 10.355 -1.584 2.658 432 HZ3 LYS 53 2HZ LYS 53 11.178 -1.988 4.079 433 H LYS 54 H LYS 54 6.528 -8.208 8.069 434 HA LYS 54 HA LYS 54 4.360 -6.434 7.658 435 HB2 LYS 54 2HB LYS 54 4.655 -8.383 9.943 436 HB3 LYS 54 1HB LYS 54 3.163 -7.770 9.243 437 HG2 LYS 54 2HG LYS 54 4.619 -8.989 7.153 438 HG3 LYS 54 1HG LYS 54 4.660 -10.088 8.535 439 HD2 LYS 54 2HD LYS 54 2.037 -8.880 8.035 440 HD3 LYS 54 1HD LYS 54 2.620 -9.911 6.727 441 HE2 LYS 54 2HE LYS 54 2.381 -11.786 7.938 442 HE3 LYS 54 1HE LYS 54 2.998 -11.033 9.406 443 HZ1 LYS 54 3HZ LYS 54 0.760 -9.872 9.502 444 HZ2 LYS 54 1HZ LYS 54 0.777 -11.526 9.860 445 HZ3 LYS 54 2HZ LYS 54 0.238 -10.992 8.348 446 H SER 55 H SER 55 6.894 -6.612 10.050 447 HA SER 55 HA SER 55 5.771 -5.026 12.061 448 HB2 SER 55 2HB SER 55 8.701 -5.023 11.329 449 HB3 SER 55 1HB SER 55 7.979 -4.780 12.920 450 HG SER 55 HG SER 55 8.274 -7.153 11.440 451 H LYS 56 H LYS 56 7.250 -4.173 9.015 452 HA LYS 56 HA LYS 56 7.295 -1.343 9.684 453 HB2 LYS 56 2HB LYS 56 8.602 -3.042 7.748 454 HB3 LYS 56 1HB LYS 56 7.863 -1.659 6.952 455 HG2 LYS 56 2HG LYS 56 9.895 -0.774 7.440 456 HG3 LYS 56 1HG LYS 56 9.036 -0.348 8.921 457 HD2 LYS 56 2HD LYS 56 10.102 -1.975 10.167 458 HD3 LYS 56 1HD LYS 56 10.471 -2.961 8.749 459 HE2 LYS 56 2HE LYS 56 11.859 -0.708 8.177 460 HE3 LYS 56 1HE LYS 56 11.955 -0.714 9.938 461 HZ1 LYS 56 3HZ LYS 56 12.530 -3.207 8.512 462 HZ2 LYS 56 1HZ LYS 56 13.181 -2.617 9.957 463 HZ3 LYS 56 2HZ LYS 56 13.699 -1.985 8.477 464 H LYS 57 H LYS 57 6.145 0.248 8.502 465 HA LYS 57 HA LYS 57 3.876 -0.722 6.916 466 HB2 LYS 57 2HB LYS 57 3.792 0.809 9.458 467 HB3 LYS 57 1HB LYS 57 2.673 1.308 8.198 468 HG2 LYS 57 2HG LYS 57 1.331 -0.227 9.116 469 HG3 LYS 57 1HG LYS 57 2.290 -1.366 8.167 470 HD2 LYS 57 2HD LYS 57 3.175 -2.295 9.998 471 HD3 LYS 57 1HD LYS 57 3.530 -0.724 10.719 472 HE2 LYS 57 2HE LYS 57 1.993 -1.932 12.134 473 HE3 LYS 57 1HE LYS 57 1.169 -0.547 11.417 474 HZ1 LYS 57 3HZ LYS 57 0.136 -2.975 11.432 475 HZ2 LYS 57 1HZ LYS 57 0.988 -3.071 9.973 476 HZ3 LYS 57 2HZ LYS 57 -0.176 -1.865 10.196 477 H GLY 58 H GLY 58 2.966 0.848 5.478 478 HA2 GLY 58 2HA GLY 58 4.070 3.465 5.218 479 HA3 GLY 58 1HA GLY 58 4.785 2.361 4.057 480 H ILE 59 H ILE 59 3.803 3.919 2.531 481 HA ILE 59 HA ILE 59 1.065 3.069 1.879 482 HB ILE 59 HB ILE 59 0.794 5.484 0.956 483 HG12 ILE 59 2HG1 ILE 59 2.920 5.880 3.077 484 HG13 ILE 59 1HG1 ILE 59 3.074 6.240 1.360 485 HG21 ILE 59 1HG2 ILE 59 -0.639 4.643 2.659 486 HG22 ILE 59 2HG2 ILE 59 -0.074 6.226 3.190 487 HG23 ILE 59 3HG2 ILE 59 0.633 4.763 3.875 488 HD11 ILE 59 3HD1 ILE 59 1.686 7.736 3.500 489 HD12 ILE 59 1HD1 ILE 59 0.978 7.770 1.885 490 HD13 ILE 59 2HD1 ILE 59 2.635 8.321 2.132 491 H PHE 60 H PHE 60 0.491 3.614 -0.423 492 HA PHE 60 HA PHE 60 2.657 4.038 -2.264 493 HB2 PHE 60 2HB PHE 60 2.262 1.822 -3.435 494 HB3 PHE 60 1HB PHE 60 3.129 1.741 -1.905 495 HD1 PHE 60 2HD PHE 60 -0.389 1.619 -3.150 496 HD2 PHE 60 1HD PHE 60 2.517 0.090 -0.443 497 HE1 PHE 60 2HE PHE 60 -2.034 -0.006 -2.310 498 HE2 PHE 60 1HE PHE 60 0.878 -1.540 0.401 499 HZ PHE 60 HZ PHE 60 -1.401 -1.588 -0.533 500 HA PRO 61 HA PRO 61 -0.653 5.389 -4.844 501 HB2 PRO 61 2HB PRO 61 0.717 4.502 -7.262 502 HB3 PRO 61 1HB PRO 61 0.466 6.144 -6.665 503 HG2 PRO 61 2HG PRO 61 2.904 4.955 -6.722 504 HG3 PRO 61 1HG PRO 61 2.450 6.169 -5.512 505 HD2 PRO 61 2HD PRO 61 2.549 3.185 -5.260 506 HD3 PRO 61 1HD PRO 61 3.063 4.432 -4.104 507 H ALA 62 H ALA 62 -2.514 4.627 -5.701 508 HA ALA 62 HA ALA 62 -2.986 1.822 -5.729 509 HB1 ALA 62 1HB ALA 62 -5.212 2.334 -6.014 510 HB2 ALA 62 2HB ALA 62 -4.871 3.766 -6.986 511 HB3 ALA 62 3HB ALA 62 -4.606 3.799 -5.243 512 H SER 63 H SER 63 -1.661 3.876 -8.056 513 HA SER 63 HA SER 63 -2.680 2.410 -10.343 514 HB2 SER 63 2HB SER 63 -0.806 3.992 -11.432 515 HB3 SER 63 1HB SER 63 -2.425 4.570 -11.039 516 HG SER 63 HG SER 63 -0.265 4.715 -9.218 517 H TYR 64 H TYR 64 -0.650 1.439 -8.128 518 HA TYR 64 HA TYR 64 0.989 -0.046 -10.032 519 HB2 TYR 64 2HB TYR 64 2.084 1.594 -7.749 520 HB3 TYR 64 1HB TYR 64 3.005 0.330 -8.564 521 HD1 TYR 64 2HD TYR 64 2.693 0.585 -11.296 522 HD2 TYR 64 1HD TYR 64 2.652 3.725 -8.429 523 HE1 TYR 64 2HE TYR 64 3.347 2.178 -13.048 524 HE2 TYR 64 1HE TYR 64 3.301 5.333 -10.172 525 HH TYR 64 HH TYR 64 4.617 5.065 -12.527 526 H ILE 65 H ILE 65 -1.291 -0.740 -8.422 527 HA ILE 65 HA ILE 65 -0.066 -2.823 -6.735 528 HB ILE 65 HB ILE 65 -2.735 -1.576 -6.112 529 HG12 ILE 65 2HG1 ILE 65 -0.973 0.158 -5.973 530 HG13 ILE 65 1HG1 ILE 65 -1.646 -0.236 -4.394 531 HG21 ILE 65 1HG2 ILE 65 -2.717 -3.533 -4.955 532 HG22 ILE 65 2HG2 ILE 65 -1.863 -2.523 -3.790 533 HG23 ILE 65 3HG2 ILE 65 -0.958 -3.592 -4.861 534 HD11 ILE 65 3HD1 ILE 65 0.860 -1.540 -5.374 535 HD12 ILE 65 1HD1 ILE 65 0.273 -1.351 -3.721 536 HD13 ILE 65 2HD1 ILE 65 0.884 0.047 -4.606 537 H HIS 66 H HIS 66 -1.452 -4.741 -6.444 538 HA HIS 66 HA HIS 66 -3.563 -5.113 -8.410 539 HB2 HIS 66 2HB HIS 66 -1.279 -5.704 -9.443 540 HB3 HIS 66 1HB HIS 66 -1.292 -7.090 -8.356 541 HD1 HIS 66 1HD HIS 66 -4.132 -5.682 -10.458 542 HD2 HIS 66 2HD HIS 66 -1.905 -9.160 -9.997 543 HE1 HIS 66 1HE HIS 66 -5.183 -7.363 -12.005 544 HE2 HIS 66 2HE HIS 66 -3.877 -9.486 -11.638 545 H LEU 67 H LEU 67 -5.175 -5.881 -7.217 546 HA LEU 67 HA LEU 67 -4.796 -7.232 -4.747 547 HB2 LEU 67 2HB LEU 67 -7.192 -6.745 -6.496 548 HB3 LEU 67 1HB LEU 67 -7.307 -7.705 -5.032 549 HG LEU 67 HG LEU 67 -8.003 -5.332 -4.747 550 HD11 LEU 67 1HD1 LEU 67 -5.677 -6.389 -3.163 551 HD12 LEU 67 2HD1 LEU 67 -7.395 -6.495 -2.783 552 HD13 LEU 67 3HD1 LEU 67 -6.570 -4.938 -2.708 553 HD21 LEU 67 3HD2 LEU 67 -5.074 -4.729 -5.116 554 HD22 LEU 67 1HD2 LEU 67 -6.355 -3.580 -4.729 555 HD23 LEU 67 2HD2 LEU 67 -6.329 -4.375 -6.302 556 H LYS 68 H LYS 68 -4.246 -9.280 -4.452 557 HA LYS 68 HA LYS 68 -4.891 -11.230 -6.564 558 HB2 LYS 68 2HB LYS 68 -2.551 -10.962 -4.714 559 HB3 LYS 68 1HB LYS 68 -2.993 -12.548 -5.330 560 HG2 LYS 68 2HG LYS 68 -2.716 -10.335 -7.284 561 HG3 LYS 68 1HG LYS 68 -1.248 -10.995 -6.564 562 HD2 LYS 68 2HD LYS 68 -1.529 -13.051 -7.545 563 HD3 LYS 68 1HD LYS 68 -3.285 -12.888 -7.631 564 HE2 LYS 68 2HE LYS 68 -2.579 -10.905 -9.286 565 HE3 LYS 68 1HE LYS 68 -1.188 -11.965 -9.506 566 HZ1 LYS 68 3HZ LYS 68 -3.866 -13.146 -9.636 567 HZ2 LYS 68 1HZ LYS 68 -2.453 -13.584 -10.456 568 HZ3 LYS 68 2HZ LYS 68 -3.335 -12.230 -10.954 569 H GLU 69 H GLU 69 -4.718 -13.580 -5.457 570 HA GLU 69 HA GLU 69 -6.844 -13.572 -3.459 571 HB2 GLU 69 2HB GLU 69 -5.810 -15.536 -5.443 572 HB3 GLU 69 1HB GLU 69 -6.554 -16.173 -3.982 573 HG2 GLU 69 2HG GLU 69 -8.444 -16.035 -5.165 574 HG3 GLU 69 1HG GLU 69 -8.390 -14.330 -4.716 575 H ALA 70 H ALA 70 -6.000 -13.268 -1.471 576 HA ALA 70 HA ALA 70 -3.498 -14.154 -0.576 577 HB1 ALA 70 1HB ALA 70 -5.835 -13.777 1.264 578 HB2 ALA 70 2HB ALA 70 -5.073 -12.409 0.453 579 HB3 ALA 70 3HB ALA 70 -4.131 -13.424 1.547 580 H ILE 71 H ILE 71 -2.845 -16.194 -0.447 581 HA ILE 71 HA ILE 71 -4.673 -18.386 -0.180 582 HB ILE 71 HB ILE 71 -1.668 -18.491 0.067 583 HG12 ILE 71 2HG1 ILE 71 -2.324 -19.311 -2.497 584 HG13 ILE 71 1HG1 ILE 71 -3.368 -17.916 -2.242 585 HG21 ILE 71 1HG2 ILE 71 -3.832 -20.475 -0.132 586 HG22 ILE 71 2HG2 ILE 71 -2.235 -20.603 0.605 587 HG23 ILE 71 3HG2 ILE 71 -2.419 -20.783 -1.141 588 HD11 ILE 71 3HD1 ILE 71 -1.210 -16.747 -1.444 589 HD12 ILE 71 1HD1 ILE 71 -1.469 -16.992 -3.171 590 HD13 ILE 71 2HD1 ILE 71 -0.387 -18.063 -2.282 591 H VAL 72 H VAL 72 -5.328 -19.378 1.618 592 HA VAL 72 HA VAL 72 -3.940 -18.741 4.141 593 HB VAL 72 HB VAL 72 -6.167 -19.223 5.240 594 HG11 VAL 72 1HG1 VAL 72 -7.056 -16.991 4.792 595 HG12 VAL 72 2HG1 VAL 72 -6.030 -16.866 3.361 596 HG13 VAL 72 3HG1 VAL 72 -5.301 -16.956 4.965 597 HG21 VAL 72 3HG2 VAL 72 -6.917 -20.179 2.828 598 HG22 VAL 72 1HG2 VAL 72 -7.585 -18.549 2.750 599 HG23 VAL 72 2HG2 VAL 72 -8.048 -19.629 4.065 600 H GLU 73 H GLU 73 -2.578 -20.562 3.975 601 HA GLU 73 HA GLU 73 -3.903 -23.062 4.726 602 HB2 GLU 73 2HB GLU 73 -3.074 -22.771 2.180 603 HB3 GLU 73 1HB GLU 73 -1.575 -23.334 2.909 604 HG2 GLU 73 2HG GLU 73 -4.114 -24.808 3.433 605 HG3 GLU 73 1HG GLU 73 -3.268 -25.031 1.902 606 H GLY 74 H GLY 74 -3.158 -22.551 6.843 607 HA2 GLY 74 2HA GLY 74 -1.017 -23.844 7.820 608 HA3 GLY 74 1HA GLY 74 -0.302 -22.324 7.301 Start of MODEL 16 1 H1 MET 1 1HT MET 1 -10.207 14.600 8.923 2 H2 MET 1 2HT MET 1 -10.820 16.202 8.980 3 H3 MET 1 3HT MET 1 -9.307 15.833 9.700 4 HA MET 1 HA MET 1 -10.026 15.983 6.865 5 HB2 MET 1 2HB MET 1 -7.986 17.267 8.684 6 HB3 MET 1 1HB MET 1 -7.924 17.410 6.933 7 HG2 MET 1 2HG MET 1 -10.514 18.122 7.525 8 HG3 MET 1 1HG MET 1 -9.591 18.798 8.865 9 HE1 MET 1 2HE MET 1 -11.253 19.563 6.011 10 HE2 MET 1 3HE MET 1 -10.463 20.962 5.281 11 HE3 MET 1 1HE MET 1 -11.055 21.049 6.940 12 H THR 2 H THR 2 -7.970 14.423 9.216 13 HA THR 2 HA THR 2 -6.582 13.027 7.022 14 HB THR 2 HB THR 2 -4.985 14.354 8.228 15 HG1 THR 2 1HG THR 2 -4.408 12.148 7.736 16 HG21 THR 2 3HG2 THR 2 -4.643 13.572 10.733 17 HG22 THR 2 1HG2 THR 2 -6.388 13.347 10.628 18 HG23 THR 2 2HG2 THR 2 -5.681 14.929 10.300 19 H ARG 3 H ARG 3 -9.134 12.354 8.378 20 HA ARG 3 HA ARG 3 -8.680 10.172 10.144 21 HB2 ARG 3 2HB ARG 3 -10.992 11.403 8.793 22 HB3 ARG 3 1HB ARG 3 -11.160 9.683 9.120 23 HG2 ARG 3 2HG ARG 3 -12.050 10.615 11.019 24 HG3 ARG 3 1HG ARG 3 -10.380 10.329 11.512 25 HD2 ARG 3 2HD ARG 3 -10.169 12.808 10.459 26 HD3 ARG 3 1HD ARG 3 -11.823 12.860 11.065 27 HE ARG 3 HE ARG 3 -11.007 12.849 13.209 28 HH11 ARG 3 1HH1 ARG 3 -8.440 11.986 11.009 29 HH12 ARG 3 2HH1 ARG 3 -7.205 12.072 12.218 30 HH21 ARG 3 1HH2 ARG 3 -9.384 12.963 14.802 31 HH22 ARG 3 2HH2 ARG 3 -7.740 12.627 14.372 32 H TRP 4 H TRP 4 -9.222 10.447 6.669 33 HA TRP 4 HA TRP 4 -8.879 9.004 4.950 34 HB2 TRP 4 2HB TRP 4 -6.902 8.322 6.928 35 HB3 TRP 4 1HB TRP 4 -7.420 6.868 6.080 36 HD1 TRP 4 HD TRP 4 -7.404 10.084 4.092 37 HE1 TRP 4 1HE TRP 4 -5.485 10.019 2.378 38 HE3 TRP 4 3HE TRP 4 -5.028 5.913 5.746 39 HZ2 TRP 4 2HZ TRP 4 -3.244 8.385 1.813 40 HZ3 TRP 4 3HZ TRP 4 -3.000 5.147 4.577 41 HH2 TRP 4 HH TRP 4 -2.129 6.364 2.646 42 H VAL 5 H VAL 5 -9.115 6.592 4.315 43 HA VAL 5 HA VAL 5 -11.467 5.540 5.739 44 HB VAL 5 HB VAL 5 -10.660 4.926 2.896 45 HG11 VAL 5 1HG1 VAL 5 -13.267 4.573 4.369 46 HG12 VAL 5 2HG1 VAL 5 -12.139 3.290 3.931 47 HG13 VAL 5 3HG1 VAL 5 -12.981 4.193 2.671 48 HG21 VAL 5 3HG2 VAL 5 -12.813 6.508 2.604 49 HG22 VAL 5 1HG2 VAL 5 -11.154 7.101 2.534 50 HG23 VAL 5 2HG2 VAL 5 -12.082 7.250 4.027 51 HA PRO 6 HA PRO 6 -8.983 1.966 6.660 52 HB2 PRO 6 2HB PRO 6 -10.853 0.387 7.733 53 HB3 PRO 6 1HB PRO 6 -10.331 1.872 8.536 54 HG2 PRO 6 2HG PRO 6 -12.788 1.359 6.916 55 HG3 PRO 6 1HG PRO 6 -12.606 2.290 8.413 56 HD2 PRO 6 2HD PRO 6 -12.721 3.386 5.880 57 HD3 PRO 6 1HD PRO 6 -12.003 4.182 7.291 58 H THR 7 H THR 7 -10.223 2.211 3.900 59 HA THR 7 HA THR 7 -10.779 0.931 2.091 60 HB THR 7 HB THR 7 -8.452 0.507 2.088 61 HG1 THR 7 1HG THR 7 -9.644 -2.060 2.026 62 HG21 THR 7 3HG2 THR 7 -8.041 -0.024 4.396 63 HG22 THR 7 1HG2 THR 7 -7.396 -1.303 3.365 64 HG23 THR 7 2HG2 THR 7 -8.912 -1.549 4.233 65 H LYS 8 H LYS 8 -12.867 0.269 2.287 66 HA LYS 8 HA LYS 8 -13.247 -2.480 3.258 67 HB2 LYS 8 2HB LYS 8 -14.114 -0.772 4.899 68 HB3 LYS 8 1HB LYS 8 -15.258 -0.263 3.664 69 HG2 LYS 8 2HG LYS 8 -16.067 -2.660 3.616 70 HG3 LYS 8 1HG LYS 8 -15.112 -2.906 5.080 71 HD2 LYS 8 2HD LYS 8 -16.400 -0.784 5.914 72 HD3 LYS 8 1HD LYS 8 -17.557 -1.241 4.661 73 HE2 LYS 8 2HE LYS 8 -18.192 -3.140 5.749 74 HE3 LYS 8 1HE LYS 8 -16.612 -3.373 6.495 75 HZ1 LYS 8 3HZ LYS 8 -17.090 -1.673 8.080 76 HZ2 LYS 8 1HZ LYS 8 -18.391 -2.755 8.077 77 HZ3 LYS 8 2HZ LYS 8 -18.534 -1.259 7.302 78 H ARG 9 H ARG 9 -13.052 -3.065 1.031 79 HA ARG 9 HA ARG 9 -15.462 -3.446 -0.302 80 HB2 ARG 9 2HB ARG 9 -14.886 -0.860 -0.626 81 HB3 ARG 9 1HB ARG 9 -13.894 -1.503 -1.928 82 HG2 ARG 9 2HG ARG 9 -16.100 -0.816 -2.714 83 HG3 ARG 9 1HG ARG 9 -15.837 -2.547 -2.933 84 HD2 ARG 9 2HD ARG 9 -16.986 -2.161 -0.368 85 HD3 ARG 9 1HD ARG 9 -17.928 -1.222 -1.526 86 HE ARG 9 HE ARG 9 -17.955 -4.023 -1.233 87 HH11 ARG 9 1HH1 ARG 9 -17.966 -1.563 -3.707 88 HH12 ARG 9 2HH1 ARG 9 -18.806 -2.547 -4.858 89 HH21 ARG 9 1HH2 ARG 9 -19.060 -5.320 -2.745 90 HH22 ARG 9 2HH2 ARG 9 -19.428 -4.680 -4.311 91 H GLU 10 H GLU 10 -12.065 -2.697 -1.067 92 HA GLU 10 HA GLU 10 -11.874 -4.634 -3.137 93 HB2 GLU 10 2HB GLU 10 -10.031 -2.800 -1.726 94 HB3 GLU 10 1HB GLU 10 -9.291 -4.226 -2.440 95 HG2 GLU 10 2HG GLU 10 -9.161 -2.983 -4.284 96 HG3 GLU 10 1HG GLU 10 -10.871 -3.368 -4.475 97 H GLU 11 H GLU 11 -9.705 -6.126 -2.813 98 HA GLU 11 HA GLU 11 -10.582 -8.150 -0.972 99 HB2 GLU 11 2HB GLU 11 -8.541 -7.932 -3.116 100 HB3 GLU 11 1HB GLU 11 -8.248 -9.129 -1.863 101 HG2 GLU 11 2HG GLU 11 -9.442 -10.451 -3.223 102 HG3 GLU 11 1HG GLU 11 -10.814 -9.677 -2.430 103 H LYS 12 H LYS 12 -8.777 -9.311 0.324 104 HA LYS 12 HA LYS 12 -8.025 -7.678 2.441 105 HB2 LYS 12 2HB LYS 12 -6.320 -9.652 2.863 106 HB3 LYS 12 1HB LYS 12 -8.048 -9.876 3.083 107 HG2 LYS 12 2HG LYS 12 -7.176 -10.443 0.364 108 HG3 LYS 12 1HG LYS 12 -6.384 -11.455 1.572 109 HD2 LYS 12 2HD LYS 12 -9.314 -11.075 1.822 110 HD3 LYS 12 1HD LYS 12 -8.739 -12.085 0.494 111 HE2 LYS 12 2HE LYS 12 -7.507 -13.476 2.072 112 HE3 LYS 12 1HE LYS 12 -8.039 -12.451 3.405 113 HZ1 LYS 12 3HZ LYS 12 -9.731 -14.180 1.688 114 HZ2 LYS 12 1HZ LYS 12 -10.354 -13.058 2.792 115 HZ3 LYS 12 2HZ LYS 12 -9.427 -14.362 3.342 116 H TYR 13 H TYR 13 -5.631 -9.293 0.338 117 HA TYR 13 HA TYR 13 -4.097 -6.795 0.278 118 HB2 TYR 13 2HB TYR 13 -2.020 -8.002 0.759 119 HB3 TYR 13 1HB TYR 13 -3.163 -8.158 2.089 120 HD1 TYR 13 1HD TYR 13 -4.769 -10.317 1.803 121 HD2 TYR 13 2HD TYR 13 -0.862 -9.894 0.181 122 HE1 TYR 13 1HE TYR 13 -4.552 -12.763 1.703 123 HE2 TYR 13 2HE TYR 13 -0.632 -12.340 0.076 124 HH TYR 13 HH TYR 13 -3.268 -14.451 0.486 125 H GLY 14 H GLY 14 -2.251 -6.945 -1.329 126 HA2 GLY 14 2HA GLY 14 -2.820 -8.802 -3.528 127 HA3 GLY 14 1HA GLY 14 -2.879 -7.079 -3.860 128 H VAL 15 H VAL 15 -1.191 -7.192 -5.353 129 HA VAL 15 HA VAL 15 1.468 -7.565 -4.139 130 HB VAL 15 HB VAL 15 0.758 -8.278 -6.988 131 HG11 VAL 15 1HG1 VAL 15 2.944 -8.367 -7.358 132 HG12 VAL 15 2HG1 VAL 15 3.147 -9.501 -6.023 133 HG13 VAL 15 3HG1 VAL 15 3.237 -7.765 -5.727 134 HG21 VAL 15 3HG2 VAL 15 0.893 -9.928 -4.501 135 HG22 VAL 15 1HG2 VAL 15 1.313 -10.641 -6.059 136 HG23 VAL 15 2HG2 VAL 15 -0.294 -9.960 -5.804 137 H ALA 16 H ALA 16 3.054 -6.112 -4.733 138 HA ALA 16 HA ALA 16 2.136 -3.814 -6.336 139 HB1 ALA 16 1HB ALA 16 2.855 -3.723 -3.750 140 HB2 ALA 16 2HB ALA 16 3.085 -2.378 -4.866 141 HB3 ALA 16 3HB ALA 16 4.427 -3.464 -4.505 142 H PHE 17 H PHE 17 3.038 -3.783 -8.300 143 HA PHE 17 HA PHE 17 5.757 -4.859 -8.593 144 HB2 PHE 17 2HB PHE 17 5.207 -4.987 -11.036 145 HB3 PHE 17 1HB PHE 17 4.216 -6.020 -10.013 146 HD1 PHE 17 1HD PHE 17 1.880 -5.316 -9.465 147 HD2 PHE 17 2HD PHE 17 4.246 -3.316 -12.384 148 HE1 PHE 17 1HE PHE 17 -0.154 -4.318 -10.425 149 HE2 PHE 17 2HE PHE 17 2.216 -2.314 -13.347 150 HZ PHE 17 HZ PHE 17 0.012 -2.814 -12.368 151 H TYR 18 H TYR 18 6.944 -3.070 -8.016 152 HA TYR 18 HA TYR 18 7.288 -1.099 -10.066 153 HB2 TYR 18 2HB TYR 18 5.380 -0.423 -8.250 154 HB3 TYR 18 1HB TYR 18 6.815 0.249 -7.484 155 HD1 TYR 18 2HD TYR 18 4.915 0.240 -10.684 156 HD2 TYR 18 1HD TYR 18 7.673 2.307 -8.188 157 HE1 TYR 18 2HE TYR 18 4.782 2.197 -12.167 158 HE2 TYR 18 1HE TYR 18 7.545 4.270 -9.665 159 HH TYR 18 HH TYR 18 6.969 4.763 -12.028 160 H ASN 19 H ASN 19 8.926 0.642 -9.185 161 HA ASN 19 HA ASN 19 10.954 -0.786 -7.593 162 HB2 ASN 19 2HB ASN 19 11.306 1.087 -9.942 163 HB3 ASN 19 1HB ASN 19 12.632 0.592 -8.894 164 HD21 ASN 19 1HD2 ASN 19 10.413 -0.376 -11.364 165 HD22 ASN 19 2HD2 ASN 19 11.157 -1.891 -11.732 166 H TYR 20 H TYR 20 9.252 0.524 -6.102 167 HA TYR 20 HA TYR 20 9.974 3.295 -5.737 168 HB2 TYR 20 2HB TYR 20 7.657 2.301 -5.375 169 HB3 TYR 20 1HB TYR 20 8.292 1.611 -3.886 170 HD1 TYR 20 1HD TYR 20 9.543 3.392 -2.337 171 HD2 TYR 20 2HD TYR 20 6.574 4.329 -5.237 172 HE1 TYR 20 1HE TYR 20 9.058 5.494 -1.153 173 HE2 TYR 20 2HE TYR 20 6.082 6.434 -4.063 174 HH TYR 20 HH TYR 20 6.323 7.326 -1.706 175 H ASP 21 H ASP 21 11.179 4.178 -4.129 176 HA ASP 21 HA ASP 21 12.464 2.341 -2.222 177 HB2 ASP 21 2HB ASP 21 13.789 4.575 -3.777 178 HB3 ASP 21 1HB ASP 21 14.551 3.686 -2.461 179 H ALA 22 H ALA 22 11.448 2.903 -0.379 180 HA ALA 22 HA ALA 22 10.452 5.424 0.282 181 HB1 ALA 22 1HB ALA 22 9.540 3.899 1.675 182 HB2 ALA 22 2HB ALA 22 10.874 4.385 2.721 183 HB3 ALA 22 3HB ALA 22 11.008 2.923 1.743 184 H ARG 23 H ARG 23 11.175 6.787 2.126 185 HA ARG 23 HA ARG 23 14.065 6.880 2.519 186 HB2 ARG 23 2HB ARG 23 14.077 9.335 2.036 187 HB3 ARG 23 1HB ARG 23 13.806 8.323 0.624 188 HG2 ARG 23 2HG ARG 23 11.264 8.912 1.669 189 HG3 ARG 23 1HG ARG 23 12.180 10.420 1.690 190 HD2 ARG 23 2HD ARG 23 12.805 9.330 -0.764 191 HD3 ARG 23 1HD ARG 23 11.104 8.914 -0.558 192 HE ARG 23 HE ARG 23 10.594 11.102 -0.925 193 HH11 ARG 23 1HH1 ARG 23 13.917 10.924 0.126 194 HH12 ARG 23 2HH1 ARG 23 14.209 12.616 -0.097 195 HH21 ARG 23 1HH2 ARG 23 10.976 13.329 -1.219 196 HH22 ARG 23 2HH2 ARG 23 12.540 13.980 -0.860 197 H GLY 24 H GLY 24 11.700 6.266 4.169 198 HA2 GLY 24 2HA GLY 24 12.449 7.456 6.561 199 HA3 GLY 24 1HA GLY 24 11.153 8.445 5.907 200 H ALA 25 H ALA 25 10.513 7.472 8.211 201 HA ALA 25 HA ALA 25 9.469 4.819 8.202 202 HB1 ALA 25 1HB ALA 25 10.138 5.925 10.271 203 HB2 ALA 25 2HB ALA 25 8.445 5.431 10.335 204 HB3 ALA 25 3HB ALA 25 8.861 7.121 10.052 205 H ASP 26 H ASP 26 8.203 7.958 7.359 206 HA ASP 26 HA ASP 26 5.455 7.335 7.442 207 HB2 ASP 26 2HB ASP 26 7.126 9.466 6.217 208 HB3 ASP 26 1HB ASP 26 5.508 9.244 5.556 209 H GLU 27 H GLU 27 7.938 6.746 5.060 210 HA GLU 27 HA GLU 27 5.908 5.532 3.301 211 HB2 GLU 27 2HB GLU 27 8.397 7.072 2.703 212 HB3 GLU 27 1HB GLU 27 7.896 5.814 1.582 213 HG2 GLU 27 2HG GLU 27 6.261 7.066 0.743 214 HG3 GLU 27 1HG GLU 27 5.712 7.574 2.340 215 H LEU 28 H LEU 28 6.713 3.681 2.001 216 HA LEU 28 HA LEU 28 8.836 2.161 3.340 217 HB2 LEU 28 2HB LEU 28 6.764 1.362 4.290 218 HB3 LEU 28 1HB LEU 28 6.066 1.153 2.696 219 HG LEU 28 HG LEU 28 8.548 -0.359 3.252 220 HD11 LEU 28 1HD1 LEU 28 7.424 -2.088 4.490 221 HD12 LEU 28 2HD1 LEU 28 5.905 -1.190 4.435 222 HD13 LEU 28 3HD1 LEU 28 7.269 -0.560 5.360 223 HD21 LEU 28 3HD2 LEU 28 7.636 -1.903 1.776 224 HD22 LEU 28 1HD2 LEU 28 7.064 -0.361 1.140 225 HD23 LEU 28 2HD2 LEU 28 5.983 -1.377 2.093 226 H SER 29 H SER 29 10.128 1.017 1.998 227 HA SER 29 HA SER 29 10.045 1.564 -0.779 228 HB2 SER 29 2HB SER 29 12.068 0.373 -0.931 229 HB3 SER 29 1HB SER 29 12.090 1.038 0.702 230 HG SER 29 HG SER 29 11.154 -1.066 1.329 231 H LEU 30 H LEU 30 9.361 0.384 -2.485 232 HA LEU 30 HA LEU 30 8.214 -2.272 -1.945 233 HB2 LEU 30 2HB LEU 30 6.894 0.128 -2.953 234 HB3 LEU 30 1HB LEU 30 6.678 -1.256 -4.006 235 HG LEU 30 HG LEU 30 5.944 -1.113 -1.081 236 HD11 LEU 30 1HD1 LEU 30 3.652 -1.317 -1.900 237 HD12 LEU 30 2HD1 LEU 30 4.241 -1.270 -3.562 238 HD13 LEU 30 3HD1 LEU 30 4.432 0.139 -2.519 239 HD21 LEU 30 3HD2 LEU 30 6.655 -3.364 -2.562 240 HD22 LEU 30 1HD2 LEU 30 4.892 -3.362 -2.555 241 HD23 LEU 30 2HD2 LEU 30 5.780 -3.331 -1.031 242 H GLN 31 H GLN 31 8.624 -3.820 -3.437 243 HA GLN 31 HA GLN 31 10.000 -3.001 -5.907 244 HB2 GLN 31 2HB GLN 31 10.734 -5.476 -4.351 245 HB3 GLN 31 1HB GLN 31 11.613 -4.730 -5.679 246 HG2 GLN 31 2HG GLN 31 11.567 -2.709 -3.865 247 HG3 GLN 31 1HG GLN 31 11.645 -4.125 -2.816 248 HE21 GLN 31 1HE2 GLN 31 13.258 -5.831 -3.788 249 HE22 GLN 31 2HE2 GLN 31 14.812 -5.190 -4.181 250 H ILE 32 H ILE 32 9.921 -4.612 -7.633 251 HA ILE 32 HA ILE 32 7.301 -5.612 -7.999 252 HB ILE 32 HB ILE 32 9.765 -6.296 -9.603 253 HG12 ILE 32 2HG1 ILE 32 7.809 -4.236 -10.492 254 HG13 ILE 32 1HG1 ILE 32 8.923 -3.786 -9.207 255 HG21 ILE 32 1HG2 ILE 32 6.874 -6.301 -10.451 256 HG22 ILE 32 2HG2 ILE 32 7.755 -7.739 -9.935 257 HG23 ILE 32 3HG2 ILE 32 8.266 -6.861 -11.377 258 HD11 ILE 32 3HD1 ILE 32 9.804 -4.927 -11.841 259 HD12 ILE 32 1HD1 ILE 32 10.806 -4.185 -10.595 260 HD13 ILE 32 2HD1 ILE 32 9.666 -3.200 -11.512 261 H GLY 33 H GLY 33 6.442 -7.605 -7.795 262 HA2 GLY 33 2HA GLY 33 6.450 -9.943 -7.558 263 HA3 GLY 33 1HA GLY 33 8.177 -9.884 -7.244 264 H ASP 34 H ASP 34 6.978 -7.517 -5.353 265 HA ASP 34 HA ASP 34 6.939 -9.275 -3.021 266 HB2 ASP 34 2HB ASP 34 7.317 -6.308 -3.377 267 HB3 ASP 34 1HB ASP 34 7.018 -7.016 -1.793 268 H THR 35 H THR 35 5.232 -9.459 -1.640 269 HA THR 35 HA THR 35 2.669 -8.489 -2.635 270 HB THR 35 HB THR 35 3.172 -10.333 -0.298 271 HG1 THR 35 1HG THR 35 2.805 -12.008 -1.815 272 HG21 THR 35 3HG2 THR 35 0.879 -9.284 -0.633 273 HG22 THR 35 1HG2 THR 35 0.963 -11.041 -0.499 274 HG23 THR 35 2HG2 THR 35 0.769 -10.286 -2.081 275 H VAL 36 H VAL 36 1.250 -7.224 -1.430 276 HA VAL 36 HA VAL 36 2.245 -6.146 1.109 277 HB VAL 36 HB VAL 36 1.433 -3.857 0.336 278 HG11 VAL 36 1HG1 VAL 36 3.576 -3.390 -0.864 279 HG12 VAL 36 2HG1 VAL 36 3.887 -5.125 -0.866 280 HG13 VAL 36 3HG1 VAL 36 3.764 -4.253 0.662 281 HG21 VAL 36 3HG2 VAL 36 0.207 -4.422 -1.623 282 HG22 VAL 36 1HG2 VAL 36 1.589 -5.268 -2.320 283 HG23 VAL 36 2HG2 VAL 36 1.625 -3.514 -2.145 284 H HIS 37 H HIS 37 0.709 -5.734 2.603 285 HA HIS 37 HA HIS 37 -2.064 -6.325 1.844 286 HB2 HIS 37 2HB HIS 37 -1.128 -7.784 3.576 287 HB3 HIS 37 1HB HIS 37 -0.739 -6.379 4.565 288 HD1 HIS 37 1HD HIS 37 -3.060 -4.857 5.073 289 HD2 HIS 37 2HD HIS 37 -3.447 -8.927 4.331 290 HE1 HIS 37 1HE HIS 37 -5.299 -5.504 6.019 291 HE2 HIS 37 2HE HIS 37 -5.477 -7.985 5.628 292 H ILE 38 H ILE 38 -3.292 -4.613 1.517 293 HA ILE 38 HA ILE 38 -2.605 -2.028 2.585 294 HB ILE 38 HB ILE 38 -5.072 -2.805 1.031 295 HG12 ILE 38 2HG1 ILE 38 -2.989 -1.391 -0.436 296 HG13 ILE 38 1HG1 ILE 38 -2.435 -2.954 0.157 297 HG21 ILE 38 1HG2 ILE 38 -3.788 -0.181 1.718 298 HG22 ILE 38 2HG2 ILE 38 -5.448 -0.705 1.999 299 HG23 ILE 38 3HG2 ILE 38 -4.900 -0.349 0.360 300 HD11 ILE 38 3HD1 ILE 38 -4.071 -4.110 -1.052 301 HD12 ILE 38 1HD1 ILE 38 -3.453 -2.885 -2.159 302 HD13 ILE 38 2HD1 ILE 38 -5.004 -2.645 -1.354 303 H LEU 39 H LEU 39 -3.451 -1.023 4.294 304 HA LEU 39 HA LEU 39 -5.749 -2.278 5.643 305 HB2 LEU 39 2HB LEU 39 -4.837 -1.460 7.762 306 HB3 LEU 39 1HB LEU 39 -3.734 -2.556 6.954 307 HG LEU 39 HG LEU 39 -2.749 -0.237 6.040 308 HD11 LEU 39 1HD1 LEU 39 -3.148 0.711 8.767 309 HD12 LEU 39 2HD1 LEU 39 -4.631 0.686 7.811 310 HD13 LEU 39 3HD1 LEU 39 -3.226 1.585 7.237 311 HD21 LEU 39 3HD2 LEU 39 -1.046 -0.419 7.748 312 HD22 LEU 39 1HD2 LEU 39 -1.538 -2.030 7.225 313 HD23 LEU 39 2HD2 LEU 39 -2.123 -1.384 8.758 314 H GLU 40 H GLU 40 -4.399 0.608 4.330 315 HA GLU 40 HA GLU 40 -6.841 2.064 5.068 316 HB2 GLU 40 2HB GLU 40 -4.150 2.697 5.869 317 HB3 GLU 40 1HB GLU 40 -4.770 3.976 4.831 318 HG2 GLU 40 2HG GLU 40 -5.275 4.574 7.064 319 HG3 GLU 40 1HG GLU 40 -6.788 4.072 6.311 320 H THR 41 H THR 41 -7.538 3.624 3.534 321 HA THR 41 HA THR 41 -6.062 3.914 1.060 322 HB THR 41 HB THR 41 -7.323 1.774 0.802 323 HG1 THR 41 1HG THR 41 -7.980 2.266 -1.236 324 HG21 THR 41 3HG2 THR 41 -9.804 3.455 0.710 325 HG22 THR 41 1HG2 THR 41 -9.335 2.509 2.122 326 HG23 THR 41 2HG2 THR 41 -9.665 1.702 0.589 327 H TYR 42 H TYR 42 -7.630 5.135 -0.580 328 HA TYR 42 HA TYR 42 -9.655 6.803 0.394 329 HB2 TYR 42 2HB TYR 42 -7.504 7.645 1.627 330 HB3 TYR 42 1HB TYR 42 -7.136 8.398 0.078 331 HD1 TYR 42 2HD TYR 42 -8.663 10.126 -0.847 332 HD2 TYR 42 1HD TYR 42 -9.187 8.530 3.062 333 HE1 TYR 42 2HE TYR 42 -10.114 12.025 -0.274 334 HE2 TYR 42 1HE TYR 42 -10.641 10.427 3.647 335 HH TYR 42 HH TYR 42 -10.932 13.205 1.648 336 H GLU 43 H GLU 43 -6.775 7.367 -1.634 337 HA GLU 43 HA GLU 43 -8.039 6.929 -4.096 338 HB2 GLU 43 2HB GLU 43 -9.254 9.028 -3.293 339 HB3 GLU 43 1HB GLU 43 -7.728 9.873 -3.515 340 HG2 GLU 43 2HG GLU 43 -7.746 9.119 -5.893 341 HG3 GLU 43 1HG GLU 43 -9.369 8.490 -5.620 342 H GLY 44 H GLY 44 -6.181 6.030 -4.821 343 HA2 GLY 44 2HA GLY 44 -4.065 5.931 -5.716 344 HA3 GLY 44 1HA GLY 44 -4.124 7.685 -5.820 345 H TRP 45 H TRP 45 -4.543 6.076 -2.775 346 HA TRP 45 HA TRP 45 -1.791 6.265 -1.990 347 HB2 TRP 45 2HB TRP 45 -3.447 8.532 -1.661 348 HB3 TRP 45 1HB TRP 45 -3.249 7.827 -0.066 349 HD1 TRP 45 HD TRP 45 -2.105 10.521 -0.166 350 HE1 TRP 45 1HE TRP 45 0.405 11.055 -0.201 351 HE3 TRP 45 3HE TRP 45 -0.305 6.041 -1.932 352 HZ2 TRP 45 2HZ TRP 45 2.812 9.780 -0.871 353 HZ3 TRP 45 3HZ TRP 45 2.119 5.805 -2.232 354 HH2 TRP 45 HH TRP 45 3.645 7.631 -1.714 355 H TYR 46 H TYR 46 -1.815 4.191 -1.203 356 HA TYR 46 HA TYR 46 -3.779 3.631 0.926 357 HB2 TYR 46 2HB TYR 46 -2.447 1.499 -0.733 358 HB3 TYR 46 1HB TYR 46 -3.865 1.354 0.296 359 HD1 TYR 46 2HD TYR 46 -5.201 3.948 -0.780 360 HD2 TYR 46 1HD TYR 46 -3.465 0.559 -2.678 361 HE1 TYR 46 2HE TYR 46 -6.649 4.309 -2.734 362 HE2 TYR 46 1HE TYR 46 -4.911 0.906 -4.634 363 HH TYR 46 HH TYR 46 -6.303 3.515 -5.454 364 H ARG 47 H ARG 47 -3.088 2.555 2.764 365 HA ARG 47 HA ARG 47 -0.165 2.468 3.130 366 HB2 ARG 47 2HB ARG 47 -1.217 4.194 4.500 367 HB3 ARG 47 1HB ARG 47 -2.335 3.013 5.165 368 HG2 ARG 47 2HG ARG 47 -0.844 2.249 6.650 369 HG3 ARG 47 1HG ARG 47 0.490 2.319 5.498 370 HD2 ARG 47 2HD ARG 47 0.741 3.866 7.431 371 HD3 ARG 47 1HD ARG 47 0.768 4.669 5.861 372 HE ARG 47 HE ARG 47 -1.857 4.637 6.935 373 HH11 ARG 47 1HH1 ARG 47 1.234 6.223 7.270 374 HH12 ARG 47 2HH1 ARG 47 0.554 7.690 7.888 375 HH21 ARG 47 1HH2 ARG 47 -2.752 6.567 7.748 376 HH22 ARG 47 2HH2 ARG 47 -1.708 7.885 8.162 377 H GLY 48 H GLY 48 0.727 0.733 4.300 378 HA2 GLY 48 2HA GLY 48 -0.720 -1.312 5.544 379 HA3 GLY 48 1HA GLY 48 -0.498 -1.767 3.862 380 H TYR 49 H TYR 49 0.751 -3.563 4.568 381 HA TYR 49 HA TYR 49 3.552 -2.861 4.964 382 HB2 TYR 49 2HB TYR 49 3.785 -4.593 6.758 383 HB3 TYR 49 1HB TYR 49 2.847 -3.184 7.238 384 HD1 TYR 49 2HD TYR 49 2.671 -6.751 6.347 385 HD2 TYR 49 1HD TYR 49 0.512 -3.374 7.775 386 HE1 TYR 49 2HE TYR 49 0.820 -8.225 7.019 387 HE2 TYR 49 1HE TYR 49 -1.344 -4.838 8.451 388 HH TYR 49 HH TYR 49 -1.626 -8.039 7.432 389 H THR 50 H THR 50 4.965 -4.281 4.033 390 HA THR 50 HA THR 50 3.949 -6.038 2.056 391 HB THR 50 HB THR 50 6.568 -6.751 2.247 392 HG1 THR 50 1HG THR 50 6.709 -5.248 4.079 393 HG21 THR 50 3HG2 THR 50 5.731 -4.150 1.003 394 HG22 THR 50 1HG2 THR 50 5.399 -5.727 0.288 395 HG23 THR 50 2HG2 THR 50 7.066 -5.202 0.530 396 H LEU 51 H LEU 51 4.201 -8.311 1.884 397 HA LEU 51 HA LEU 51 3.458 -9.761 4.159 398 HB2 LEU 51 2HB LEU 51 4.250 -10.401 1.385 399 HB3 LEU 51 1HB LEU 51 4.435 -11.702 2.545 400 HG LEU 51 HG LEU 51 2.267 -11.742 1.334 401 HD11 LEU 51 1HD1 LEU 51 0.907 -11.623 3.631 402 HD12 LEU 51 2HD1 LEU 51 2.550 -11.642 4.272 403 HD13 LEU 51 3HD1 LEU 51 1.996 -12.949 3.224 404 HD21 LEU 51 3HD2 LEU 51 1.252 -9.499 2.978 405 HD22 LEU 51 1HD2 LEU 51 0.755 -10.051 1.378 406 HD23 LEU 51 2HD2 LEU 51 2.220 -9.086 1.563 407 H ARG 52 H ARG 52 6.595 -9.034 2.812 408 HA ARG 52 HA ARG 52 8.003 -10.965 4.417 409 HB2 ARG 52 2HB ARG 52 8.850 -8.715 2.612 410 HB3 ARG 52 1HB ARG 52 10.019 -9.553 3.623 411 HG2 ARG 52 2HG ARG 52 8.211 -11.048 1.760 412 HG3 ARG 52 1HG ARG 52 9.730 -10.338 1.210 413 HD2 ARG 52 2HD ARG 52 10.555 -12.356 1.804 414 HD3 ARG 52 1HD ARG 52 10.597 -11.618 3.403 415 HE ARG 52 HE ARG 52 8.128 -12.712 3.296 416 HH11 ARG 52 1HH1 ARG 52 11.323 -13.977 2.693 417 HH12 ARG 52 2HH1 ARG 52 10.917 -15.586 3.188 418 HH21 ARG 52 1HH2 ARG 52 7.590 -14.827 3.948 419 HH22 ARG 52 2HH2 ARG 52 8.797 -16.069 3.899 420 H LYS 53 H LYS 53 7.576 -7.439 4.477 421 HA LYS 53 HA LYS 53 8.754 -7.391 7.168 422 HB2 LYS 53 2HB LYS 53 8.106 -4.980 5.480 423 HB3 LYS 53 1HB LYS 53 9.199 -5.084 6.854 424 HG2 LYS 53 2HG LYS 53 10.783 -6.347 5.582 425 HG3 LYS 53 1HG LYS 53 9.656 -6.488 4.232 426 HD2 LYS 53 2HD LYS 53 10.319 -3.751 5.155 427 HD3 LYS 53 1HD LYS 53 11.589 -4.645 4.317 428 HE2 LYS 53 2HE LYS 53 9.047 -4.908 2.965 429 HE3 LYS 53 1HE LYS 53 9.493 -3.214 3.164 430 HZ1 LYS 53 3HZ LYS 53 10.633 -3.615 1.283 431 HZ2 LYS 53 1HZ LYS 53 10.740 -5.282 1.549 432 HZ3 LYS 53 2HZ LYS 53 11.803 -4.229 2.338 433 H LYS 54 H LYS 54 6.916 -8.171 8.263 434 HA LYS 54 HA LYS 54 4.378 -6.850 8.022 435 HB2 LYS 54 2HB LYS 54 5.369 -8.809 10.103 436 HB3 LYS 54 1HB LYS 54 3.699 -8.300 9.893 437 HG2 LYS 54 2HG LYS 54 4.932 -9.360 7.462 438 HG3 LYS 54 1HG LYS 54 4.824 -10.521 8.787 439 HD2 LYS 54 2HD LYS 54 2.354 -9.191 8.735 440 HD3 LYS 54 1HD LYS 54 2.751 -9.529 7.050 441 HE2 LYS 54 2HE LYS 54 1.507 -11.382 7.934 442 HE3 LYS 54 1HE LYS 54 3.175 -11.893 7.680 443 HZ1 LYS 54 3HZ LYS 54 1.778 -11.349 10.219 444 HZ2 LYS 54 1HZ LYS 54 3.466 -11.271 10.136 445 HZ3 LYS 54 2HZ LYS 54 2.665 -12.714 9.767 446 H SER 55 H SER 55 7.148 -6.659 10.157 447 HA SER 55 HA SER 55 5.902 -5.088 12.172 448 HB2 SER 55 2HB SER 55 8.074 -6.450 12.346 449 HB3 SER 55 1HB SER 55 8.855 -5.075 11.568 450 HG SER 55 HG SER 55 7.966 -3.782 13.304 451 H LYS 56 H LYS 56 7.458 -4.361 9.136 452 HA LYS 56 HA LYS 56 7.558 -1.514 9.701 453 HB2 LYS 56 2HB LYS 56 8.789 -3.321 7.801 454 HB3 LYS 56 1HB LYS 56 8.108 -1.920 6.986 455 HG2 LYS 56 2HG LYS 56 9.790 -0.644 7.650 456 HG3 LYS 56 1HG LYS 56 9.524 -1.087 9.338 457 HD2 LYS 56 2HD LYS 56 10.699 -3.343 8.345 458 HD3 LYS 56 1HD LYS 56 11.504 -2.079 7.413 459 HE2 LYS 56 2HE LYS 56 11.982 -0.910 9.573 460 HE3 LYS 56 1HE LYS 56 11.352 -2.327 10.413 461 HZ1 LYS 56 3HZ LYS 56 13.600 -2.432 8.481 462 HZ2 LYS 56 1HZ LYS 56 13.078 -3.666 9.517 463 HZ3 LYS 56 2HZ LYS 56 13.810 -2.280 10.153 464 H LYS 57 H LYS 57 6.387 0.062 8.575 465 HA LYS 57 HA LYS 57 4.131 -0.880 6.952 466 HB2 LYS 57 2HB LYS 57 3.998 0.870 9.398 467 HB3 LYS 57 1HB LYS 57 2.746 0.916 8.164 468 HG2 LYS 57 2HG LYS 57 2.914 -1.747 8.617 469 HG3 LYS 57 1HG LYS 57 3.309 -1.106 10.214 470 HD2 LYS 57 2HD LYS 57 1.192 0.443 9.583 471 HD3 LYS 57 1HD LYS 57 0.772 -1.031 8.708 472 HE2 LYS 57 2HE LYS 57 -0.141 -0.962 11.009 473 HE3 LYS 57 1HE LYS 57 0.930 -2.332 10.723 474 HZ1 LYS 57 3HZ LYS 57 2.468 -1.543 12.153 475 HZ2 LYS 57 1HZ LYS 57 1.134 -0.760 12.837 476 HZ3 LYS 57 2HZ LYS 57 2.162 0.079 11.789 477 H GLY 58 H GLY 58 3.223 0.730 5.547 478 HA2 GLY 58 2HA GLY 58 4.307 3.350 5.340 479 HA3 GLY 58 1HA GLY 58 5.075 2.276 4.186 480 H ILE 59 H ILE 59 3.981 4.104 2.863 481 HA ILE 59 HA ILE 59 1.324 3.128 2.048 482 HB ILE 59 HB ILE 59 0.774 5.431 1.341 483 HG12 ILE 59 2HG1 ILE 59 3.098 6.410 2.971 484 HG13 ILE 59 1HG1 ILE 59 3.314 6.029 1.265 485 HG21 ILE 59 1HG2 ILE 59 0.653 4.348 3.855 486 HG22 ILE 59 2HG2 ILE 59 -0.164 5.821 3.333 487 HG23 ILE 59 3HG2 ILE 59 1.396 5.919 4.150 488 HD11 ILE 59 3HD1 ILE 59 1.243 7.591 0.967 489 HD12 ILE 59 1HD1 ILE 59 2.859 8.264 1.172 490 HD13 ILE 59 2HD1 ILE 59 1.746 8.210 2.540 491 H PHE 60 H PHE 60 0.809 3.348 -0.204 492 HA PHE 60 HA PHE 60 2.960 4.007 -2.039 493 HB2 PHE 60 2HB PHE 60 2.743 1.789 -3.208 494 HB3 PHE 60 1HB PHE 60 3.519 1.716 -1.630 495 HD1 PHE 60 2HD PHE 60 0.110 1.438 -3.124 496 HD2 PHE 60 1HD PHE 60 2.869 0.048 -0.197 497 HE1 PHE 60 2HE PHE 60 -1.512 -0.266 -2.409 498 HE2 PHE 60 1HE PHE 60 1.251 -1.663 0.519 499 HZ PHE 60 HZ PHE 60 -0.942 -1.818 -0.594 500 HA PRO 61 HA PRO 61 -0.511 5.226 -4.485 501 HB2 PRO 61 2HB PRO 61 0.626 5.424 -6.916 502 HB3 PRO 61 1HB PRO 61 1.016 6.545 -5.605 503 HG2 PRO 61 2HG PRO 61 2.544 4.163 -6.576 504 HG3 PRO 61 1HG PRO 61 3.145 5.764 -6.115 505 HD2 PRO 61 2HD PRO 61 3.240 3.585 -4.470 506 HD3 PRO 61 1HD PRO 61 3.144 5.256 -3.879 507 H ALA 62 H ALA 62 -2.160 4.267 -5.515 508 HA ALA 62 HA ALA 62 -2.134 1.488 -6.033 509 HB1 ALA 62 1HB ALA 62 -4.087 3.165 -5.463 510 HB2 ALA 62 2HB ALA 62 -4.385 1.675 -6.359 511 HB3 ALA 62 3HB ALA 62 -4.247 3.209 -7.219 512 H SER 63 H SER 63 -1.001 4.038 -7.917 513 HA SER 63 HA SER 63 -1.741 3.513 -10.497 514 HB2 SER 63 2HB SER 63 1.144 4.072 -10.029 515 HB3 SER 63 1HB SER 63 0.011 4.847 -11.135 516 HG SER 63 HG SER 63 -0.978 5.741 -9.170 517 H TYR 64 H TYR 64 0.279 1.530 -8.468 518 HA TYR 64 HA TYR 64 0.564 -0.335 -10.718 519 HB2 TYR 64 2HB TYR 64 2.860 -0.888 -9.976 520 HB3 TYR 64 1HB TYR 64 2.705 0.775 -10.532 521 HD1 TYR 64 2HD TYR 64 2.697 -1.271 -7.413 522 HD2 TYR 64 1HD TYR 64 3.481 2.511 -9.195 523 HE1 TYR 64 2HE TYR 64 3.664 -0.481 -5.297 524 HE2 TYR 64 1HE TYR 64 4.452 3.311 -7.083 525 HH TYR 64 HH TYR 64 5.388 1.336 -4.626 526 H ILE 65 H ILE 65 -1.100 -0.110 -8.144 527 HA ILE 65 HA ILE 65 -0.231 -2.535 -6.765 528 HB ILE 65 HB ILE 65 -2.533 -0.693 -6.109 529 HG12 ILE 65 2HG1 ILE 65 -0.422 0.470 -5.855 530 HG13 ILE 65 1HG1 ILE 65 -1.057 0.076 -4.263 531 HG21 ILE 65 1HG2 ILE 65 -1.270 -2.889 -4.471 532 HG22 ILE 65 2HG2 ILE 65 -2.833 -2.985 -5.284 533 HG23 ILE 65 3HG2 ILE 65 -2.594 -1.838 -3.966 534 HD11 ILE 65 3HD1 ILE 65 1.335 -0.299 -4.373 535 HD12 ILE 65 1HD1 ILE 65 1.111 -1.415 -5.720 536 HD13 ILE 65 2HD1 ILE 65 0.475 -1.819 -4.125 537 H HIS 66 H HIS 66 -1.450 -4.397 -6.621 538 HA HIS 66 HA HIS 66 -3.911 -4.559 -8.198 539 HB2 HIS 66 2HB HIS 66 -2.065 -5.264 -9.680 540 HB3 HIS 66 1HB HIS 66 -1.595 -6.484 -8.501 541 HD1 HIS 66 1HD HIS 66 -4.123 -5.747 -11.138 542 HD2 HIS 66 2HD HIS 66 -3.271 -8.745 -8.390 543 HE1 HIS 66 1HE HIS 66 -5.542 -7.708 -11.821 544 HE2 HIS 66 2HE HIS 66 -5.071 -9.482 -10.094 545 H LEU 67 H LEU 67 -5.391 -5.240 -6.798 546 HA LEU 67 HA LEU 67 -4.756 -6.662 -4.417 547 HB2 LEU 67 2HB LEU 67 -7.291 -5.827 -5.769 548 HB3 LEU 67 1HB LEU 67 -7.356 -6.957 -4.430 549 HG LEU 67 HG LEU 67 -7.759 -4.640 -3.715 550 HD11 LEU 67 1HD1 LEU 67 -6.701 -6.320 -2.211 551 HD12 LEU 67 2HD1 LEU 67 -6.300 -4.647 -1.822 552 HD13 LEU 67 3HD1 LEU 67 -5.129 -5.664 -2.664 553 HD21 LEU 67 3HD2 LEU 67 -6.126 -3.752 -5.514 554 HD22 LEU 67 1HD2 LEU 67 -4.889 -4.015 -4.285 555 HD23 LEU 67 2HD2 LEU 67 -6.230 -2.916 -3.964 556 H LYS 68 H LYS 68 -4.782 -8.787 -3.972 557 HA LYS 68 HA LYS 68 -4.999 -10.637 -6.180 558 HB2 LYS 68 2HB LYS 68 -4.293 -11.001 -3.267 559 HB3 LYS 68 1HB LYS 68 -4.361 -12.329 -4.416 560 HG2 LYS 68 2HG LYS 68 -2.707 -10.046 -5.243 561 HG3 LYS 68 1HG LYS 68 -2.129 -10.931 -3.831 562 HD2 LYS 68 2HD LYS 68 -1.231 -12.395 -5.254 563 HD3 LYS 68 1HD LYS 68 -2.877 -12.921 -5.615 564 HE2 LYS 68 2HE LYS 68 -2.335 -10.560 -7.111 565 HE3 LYS 68 1HE LYS 68 -0.994 -11.680 -7.339 566 HZ1 LYS 68 3HZ LYS 68 -3.076 -11.820 -8.855 567 HZ2 LYS 68 1HZ LYS 68 -3.752 -12.672 -7.558 568 HZ3 LYS 68 2HZ LYS 68 -2.345 -13.241 -8.304 569 H GLU 69 H GLU 69 -6.032 -12.895 -5.327 570 HA GLU 69 HA GLU 69 -8.849 -12.291 -5.070 571 HB2 GLU 69 2HB GLU 69 -7.237 -14.505 -6.035 572 HB3 GLU 69 1HB GLU 69 -8.539 -15.067 -4.997 573 HG2 GLU 69 2HG GLU 69 -9.478 -13.081 -6.869 574 HG3 GLU 69 1HG GLU 69 -8.693 -14.428 -7.694 575 H ALA 70 H ALA 70 -7.059 -14.922 -3.495 576 HA ALA 70 HA ALA 70 -7.339 -14.015 -0.855 577 HB1 ALA 70 1HB ALA 70 -9.549 -15.816 -1.823 578 HB2 ALA 70 2HB ALA 70 -9.697 -14.219 -1.087 579 HB3 ALA 70 3HB ALA 70 -9.152 -15.589 -0.119 580 H ILE 71 H ILE 71 -5.449 -14.915 -0.281 581 HA ILE 71 HA ILE 71 -5.256 -17.844 -0.401 582 HB ILE 71 HB ILE 71 -2.893 -16.053 -0.947 583 HG12 ILE 71 2HG1 ILE 71 -3.381 -17.342 -3.308 584 HG13 ILE 71 1HG1 ILE 71 -5.019 -17.016 -2.747 585 HG21 ILE 71 1HG2 ILE 71 -1.763 -18.053 -1.576 586 HG22 ILE 71 2HG2 ILE 71 -3.253 -18.993 -1.488 587 HG23 ILE 71 3HG2 ILE 71 -2.529 -18.351 -0.015 588 HD11 ILE 71 3HD1 ILE 71 -4.399 -14.631 -2.501 589 HD12 ILE 71 1HD1 ILE 71 -4.304 -15.226 -4.158 590 HD13 ILE 71 2HD1 ILE 71 -2.831 -15.007 -3.213 591 H VAL 72 H VAL 72 -4.139 -18.813 1.291 592 HA VAL 72 HA VAL 72 -3.565 -17.033 3.565 593 HB VAL 72 HB VAL 72 -3.920 -19.068 4.984 594 HG11 VAL 72 1HG1 VAL 72 -6.087 -17.846 3.328 595 HG12 VAL 72 2HG1 VAL 72 -5.718 -17.618 5.036 596 HG13 VAL 72 3HG1 VAL 72 -6.473 -19.116 4.491 597 HG21 VAL 72 3HG2 VAL 72 -5.299 -20.319 2.644 598 HG22 VAL 72 1HG2 VAL 72 -4.741 -21.061 4.143 599 HG23 VAL 72 2HG2 VAL 72 -3.576 -20.588 2.907 600 H GLU 73 H GLU 73 -2.070 -18.360 5.207 601 HA GLU 73 HA GLU 73 0.031 -19.088 5.685 602 HB2 GLU 73 2HB GLU 73 -0.950 -20.882 3.823 603 HB3 GLU 73 1HB GLU 73 0.598 -20.406 3.138 604 HG2 GLU 73 2HG GLU 73 1.800 -21.289 4.888 605 HG3 GLU 73 1HG GLU 73 0.444 -21.188 6.010 606 H GLY 74 H GLY 74 2.110 -18.333 5.493 607 HA2 GLY 74 2HA GLY 74 3.936 -17.464 4.180 608 HA3 GLY 74 1HA GLY 74 2.756 -16.791 3.065 Start of MODEL 17 1 H1 MET 1 1HT MET 1 -9.184 6.612 12.000 2 H2 MET 1 2HT MET 1 -8.425 6.869 10.483 3 H3 MET 1 3HT MET 1 -8.775 5.274 11.012 4 HA MET 1 HA MET 1 -10.274 6.272 9.304 5 HB2 MET 1 2HB MET 1 -10.985 4.931 11.870 6 HB3 MET 1 1HB MET 1 -12.302 5.453 10.828 7 HG2 MET 1 2HG MET 1 -12.053 3.436 9.901 8 HG3 MET 1 1HG MET 1 -10.718 4.197 9.037 9 HE1 MET 1 2HE MET 1 -8.926 3.123 8.631 10 HE2 MET 1 3HE MET 1 -8.064 1.892 9.553 11 HE3 MET 1 1HE MET 1 -7.870 3.597 9.961 12 H THR 2 H THR 2 -9.346 8.596 10.838 13 HA THR 2 HA THR 2 -11.762 9.885 11.791 14 HB THR 2 HB THR 2 -10.230 11.836 12.169 15 HG1 THR 2 1HG THR 2 -8.728 11.150 10.483 16 HG21 THR 2 3HG2 THR 2 -10.076 10.901 14.169 17 HG22 THR 2 1HG2 THR 2 -8.573 10.163 13.616 18 HG23 THR 2 2HG2 THR 2 -10.092 9.273 13.491 19 H ARG 3 H ARG 3 -9.634 9.991 9.003 20 HA ARG 3 HA ARG 3 -11.632 11.626 7.614 21 HB2 ARG 3 2HB ARG 3 -9.624 12.751 6.444 22 HB3 ARG 3 1HB ARG 3 -10.060 13.290 8.058 23 HG2 ARG 3 2HG ARG 3 -8.001 12.881 8.748 24 HG3 ARG 3 1HG ARG 3 -8.200 11.176 8.342 25 HD2 ARG 3 2HD ARG 3 -7.338 11.498 6.163 26 HD3 ARG 3 1HD ARG 3 -7.449 13.252 6.299 27 HE ARG 3 HE ARG 3 -5.739 12.504 8.297 28 HH11 ARG 3 1HH1 ARG 3 -5.835 12.075 4.835 29 HH12 ARG 3 2HH1 ARG 3 -4.112 12.035 4.666 30 HH21 ARG 3 1HH2 ARG 3 -3.471 12.453 8.077 31 HH22 ARG 3 2HH2 ARG 3 -2.770 12.250 6.507 32 H TRP 4 H TRP 4 -8.750 9.581 7.302 33 HA TRP 4 HA TRP 4 -9.081 9.062 4.535 34 HB2 TRP 4 2HB TRP 4 -7.206 8.407 6.565 35 HB3 TRP 4 1HB TRP 4 -7.725 6.895 5.828 36 HD1 TRP 4 HD TRP 4 -7.557 9.981 3.626 37 HE1 TRP 4 1HE TRP 4 -5.611 9.725 1.961 38 HE3 TRP 4 3HE TRP 4 -5.407 5.816 5.578 39 HZ2 TRP 4 2HZ TRP 4 -3.435 7.962 1.541 40 HZ3 TRP 4 3HZ TRP 4 -3.395 4.891 4.500 41 HH2 TRP 4 HH TRP 4 -2.430 5.946 2.518 42 H VAL 5 H VAL 5 -9.540 6.913 3.609 43 HA VAL 5 HA VAL 5 -11.977 5.841 4.769 44 HB VAL 5 HB VAL 5 -10.649 5.041 2.178 45 HG11 VAL 5 1HG1 VAL 5 -13.532 4.820 3.028 46 HG12 VAL 5 2HG1 VAL 5 -12.365 3.502 3.115 47 HG13 VAL 5 3HG1 VAL 5 -12.802 4.190 1.551 48 HG21 VAL 5 3HG2 VAL 5 -12.290 7.401 2.883 49 HG22 VAL 5 1HG2 VAL 5 -12.659 6.594 1.360 50 HG23 VAL 5 2HG2 VAL 5 -11.036 7.215 1.657 51 HA PRO 6 HA PRO 6 -9.858 2.270 6.379 52 HB2 PRO 6 2HB PRO 6 -11.962 0.884 7.257 53 HB3 PRO 6 1HB PRO 6 -11.504 2.420 8.001 54 HG2 PRO 6 2HG PRO 6 -13.685 1.839 6.042 55 HG3 PRO 6 1HG PRO 6 -13.704 2.910 7.454 56 HD2 PRO 6 2HD PRO 6 -13.329 3.737 4.838 57 HD3 PRO 6 1HD PRO 6 -12.841 4.656 6.274 58 H THR 7 H THR 7 -10.801 2.342 3.433 59 HA THR 7 HA THR 7 -11.162 0.924 1.681 60 HB THR 7 HB THR 7 -8.846 0.507 1.960 61 HG1 THR 7 1HG THR 7 -10.124 -1.103 0.757 62 HG21 THR 7 3HG2 THR 7 -8.692 0.133 4.333 63 HG22 THR 7 1HG2 THR 7 -7.943 -1.206 3.463 64 HG23 THR 7 2HG2 THR 7 -9.544 -1.403 4.175 65 H LYS 8 H LYS 8 -13.282 0.303 1.756 66 HA LYS 8 HA LYS 8 -13.854 -2.235 3.140 67 HB2 LYS 8 2HB LYS 8 -15.537 0.191 2.627 68 HB3 LYS 8 1HB LYS 8 -16.308 -1.379 2.804 69 HG2 LYS 8 2HG LYS 8 -15.922 -1.470 5.019 70 HG3 LYS 8 1HG LYS 8 -14.349 -0.682 4.887 71 HD2 LYS 8 2HD LYS 8 -15.861 0.760 6.094 72 HD3 LYS 8 1HD LYS 8 -15.510 1.476 4.520 73 HE2 LYS 8 2HE LYS 8 -17.639 0.451 3.684 74 HE3 LYS 8 1HE LYS 8 -17.998 -0.010 5.347 75 HZ1 LYS 8 3HZ LYS 8 -17.862 2.688 4.165 76 HZ2 LYS 8 1HZ LYS 8 -17.648 2.472 5.830 77 HZ3 LYS 8 2HZ LYS 8 -19.094 1.994 5.094 78 H ARG 9 H ARG 9 -13.043 -3.414 1.325 79 HA ARG 9 HA ARG 9 -14.961 -4.356 -0.435 80 HB2 ARG 9 2HB ARG 9 -14.127 -1.859 -1.297 81 HB3 ARG 9 1HB ARG 9 -13.152 -2.960 -2.259 82 HG2 ARG 9 2HG ARG 9 -15.226 -4.118 -2.957 83 HG3 ARG 9 1HG ARG 9 -16.155 -2.902 -2.078 84 HD2 ARG 9 2HD ARG 9 -15.015 -1.162 -3.488 85 HD3 ARG 9 1HD ARG 9 -14.350 -2.480 -4.453 86 HE ARG 9 HE ARG 9 -17.201 -2.607 -4.190 87 HH11 ARG 9 1HH1 ARG 9 -14.579 -1.171 -5.990 88 HH12 ARG 9 2HH1 ARG 9 -15.537 -0.892 -7.405 89 HH21 ARG 9 1HH2 ARG 9 -18.465 -2.242 -6.049 90 HH22 ARG 9 2HH2 ARG 9 -17.744 -1.499 -7.440 91 H GLU 10 H GLU 10 -11.544 -3.651 0.020 92 HA GLU 10 HA GLU 10 -10.416 -5.595 -1.609 93 HB2 GLU 10 2HB GLU 10 -9.548 -4.182 0.869 94 HB3 GLU 10 1HB GLU 10 -8.608 -5.569 0.336 95 HG2 GLU 10 2HG GLU 10 -7.508 -3.845 -0.692 96 HG3 GLU 10 1HG GLU 10 -8.618 -4.357 -1.962 97 H GLU 11 H GLU 11 -9.376 -7.631 -0.984 98 HA GLU 11 HA GLU 11 -11.180 -9.214 0.679 99 HB2 GLU 11 2HB GLU 11 -10.614 -9.960 -1.633 100 HB3 GLU 11 1HB GLU 11 -8.942 -10.147 -1.124 101 HG2 GLU 11 2HG GLU 11 -9.698 -11.798 0.565 102 HG3 GLU 11 1HG GLU 11 -11.325 -11.672 -0.102 103 H LYS 12 H LYS 12 -7.661 -8.841 0.223 104 HA LYS 12 HA LYS 12 -7.232 -8.922 3.072 105 HB2 LYS 12 2HB LYS 12 -7.383 -11.358 2.146 106 HB3 LYS 12 1HB LYS 12 -5.779 -11.027 1.505 107 HG2 LYS 12 2HG LYS 12 -4.806 -11.032 3.554 108 HG3 LYS 12 1HG LYS 12 -6.247 -10.412 4.363 109 HD2 LYS 12 2HD LYS 12 -6.487 -12.514 5.108 110 HD3 LYS 12 1HD LYS 12 -7.101 -12.853 3.489 111 HE2 LYS 12 2HE LYS 12 -4.759 -13.391 2.802 112 HE3 LYS 12 1HE LYS 12 -4.284 -13.232 4.493 113 HZ1 LYS 12 3HZ LYS 12 -4.963 -15.539 3.445 114 HZ2 LYS 12 1HZ LYS 12 -6.513 -15.019 3.884 115 HZ3 LYS 12 2HZ LYS 12 -5.304 -15.162 5.058 116 H TYR 13 H TYR 13 -5.311 -9.637 0.150 117 HA TYR 13 HA TYR 13 -3.904 -7.127 0.372 118 HB2 TYR 13 2HB TYR 13 -1.653 -8.345 0.448 119 HB3 TYR 13 1HB TYR 13 -2.560 -8.247 1.954 120 HD1 TYR 13 2HD TYR 13 -2.282 -10.534 -0.996 121 HD2 TYR 13 1HD TYR 13 -2.652 -10.164 3.225 122 HE1 TYR 13 2HE TYR 13 -2.169 -12.981 -0.777 123 HE2 TYR 13 1HE TYR 13 -2.540 -12.608 3.457 124 HH TYR 13 HH TYR 13 -3.019 -14.711 1.011 125 H GLY 14 H GLY 14 -2.154 -6.986 -1.352 126 HA2 GLY 14 2HA GLY 14 -2.808 -8.685 -3.669 127 HA3 GLY 14 1HA GLY 14 -2.830 -6.936 -3.828 128 H VAL 15 H VAL 15 -1.227 -7.138 -5.476 129 HA VAL 15 HA VAL 15 1.475 -7.575 -4.384 130 HB VAL 15 HB VAL 15 0.638 -8.160 -7.227 131 HG11 VAL 15 1HG1 VAL 15 3.207 -8.122 -5.780 132 HG12 VAL 15 2HG1 VAL 15 2.860 -7.865 -7.490 133 HG13 VAL 15 3HG1 VAL 15 2.937 -9.503 -6.843 134 HG21 VAL 15 3HG2 VAL 15 -0.075 -9.670 -5.087 135 HG22 VAL 15 1HG2 VAL 15 1.485 -10.381 -5.499 136 HG23 VAL 15 2HG2 VAL 15 0.202 -10.306 -6.708 137 H ALA 16 H ALA 16 3.096 -6.180 -5.071 138 HA ALA 16 HA ALA 16 2.174 -3.815 -6.574 139 HB1 ALA 16 1HB ALA 16 3.199 -3.961 -3.941 140 HB2 ALA 16 2HB ALA 16 2.771 -2.525 -4.868 141 HB3 ALA 16 3HB ALA 16 4.415 -3.160 -4.937 142 H PHE 17 H PHE 17 3.040 -4.006 -8.568 143 HA PHE 17 HA PHE 17 5.800 -4.968 -8.801 144 HB2 PHE 17 2HB PHE 17 5.199 -5.015 -11.299 145 HB3 PHE 17 1HB PHE 17 4.432 -6.208 -10.256 146 HD1 PHE 17 2HD PHE 17 2.067 -6.027 -9.688 147 HD2 PHE 17 1HD PHE 17 3.930 -3.271 -12.343 148 HE1 PHE 17 2HE PHE 17 -0.147 -5.283 -10.461 149 HE2 PHE 17 1HE PHE 17 1.719 -2.520 -13.121 150 HZ PHE 17 HZ PHE 17 -0.322 -3.527 -12.180 151 H TYR 18 H TYR 18 6.947 -3.141 -8.243 152 HA TYR 18 HA TYR 18 7.279 -1.208 -10.333 153 HB2 TYR 18 2HB TYR 18 5.366 -0.544 -8.473 154 HB3 TYR 18 1HB TYR 18 6.805 0.241 -7.829 155 HD1 TYR 18 2HD TYR 18 4.591 0.018 -10.784 156 HD2 TYR 18 1HD TYR 18 7.691 2.193 -8.844 157 HE1 TYR 18 2HE TYR 18 4.291 1.860 -12.385 158 HE2 TYR 18 1HE TYR 18 7.399 4.042 -10.438 159 HH TYR 18 HH TYR 18 5.751 4.934 -11.944 160 H ASN 19 H ASN 19 8.892 0.566 -9.502 161 HA ASN 19 HA ASN 19 10.907 -0.771 -7.813 162 HB2 ASN 19 2HB ASN 19 11.349 0.999 -10.230 163 HB3 ASN 19 1HB ASN 19 12.629 0.412 -9.172 164 HD21 ASN 19 1HD2 ASN 19 11.252 -0.084 -12.044 165 HD22 ASN 19 2HD2 ASN 19 11.535 -1.776 -12.243 166 H TYR 20 H TYR 20 9.335 0.572 -6.314 167 HA TYR 20 HA TYR 20 10.256 3.349 -6.115 168 HB2 TYR 20 2HB TYR 20 7.833 3.011 -6.132 169 HB3 TYR 20 1HB TYR 20 7.958 1.943 -4.739 170 HD1 TYR 20 1HD TYR 20 9.614 5.224 -5.360 171 HD2 TYR 20 2HD TYR 20 6.799 3.035 -3.040 172 HE1 TYR 20 1HE TYR 20 9.354 7.157 -3.863 173 HE2 TYR 20 2HE TYR 20 6.530 4.962 -1.537 174 HH TYR 20 HH TYR 20 6.856 7.343 -1.516 175 H ASP 21 H ASP 21 11.185 4.176 -4.265 176 HA ASP 21 HA ASP 21 12.028 2.199 -2.249 177 HB2 ASP 21 2HB ASP 21 13.731 3.384 -3.966 178 HB3 ASP 21 1HB ASP 21 13.717 4.599 -2.692 179 H ALA 22 H ALA 22 12.332 2.996 -0.094 180 HA ALA 22 HA ALA 22 10.517 5.208 0.519 181 HB1 ALA 22 1HB ALA 22 9.809 3.760 2.052 182 HB2 ALA 22 2HB ALA 22 11.312 4.066 2.922 183 HB3 ALA 22 3HB ALA 22 11.201 2.707 1.802 184 H ARG 23 H ARG 23 11.135 6.583 2.437 185 HA ARG 23 HA ARG 23 14.025 7.111 2.531 186 HB2 ARG 23 2HB ARG 23 12.683 8.667 0.967 187 HB3 ARG 23 1HB ARG 23 12.023 9.354 2.445 188 HG2 ARG 23 2HG ARG 23 13.858 10.702 1.723 189 HG3 ARG 23 1HG ARG 23 14.334 9.848 3.193 190 HD2 ARG 23 2HD ARG 23 16.115 9.844 1.500 191 HD3 ARG 23 1HD ARG 23 15.555 8.217 1.881 192 HE ARG 23 HE ARG 23 14.245 9.392 -0.392 193 HH11 ARG 23 1HH1 ARG 23 17.017 7.565 0.688 194 HH12 ARG 23 2HH1 ARG 23 17.301 6.843 -0.859 195 HH21 ARG 23 1HH2 ARG 23 14.618 8.440 -2.429 196 HH22 ARG 23 2HH2 ARG 23 15.940 7.340 -2.629 197 H GLY 24 H GLY 24 12.193 5.767 4.383 198 HA2 GLY 24 2HA GLY 24 13.049 6.278 6.812 199 HA3 GLY 24 1HA GLY 24 11.995 7.668 6.602 200 H ALA 25 H ALA 25 11.077 6.554 8.596 201 HA ALA 25 HA ALA 25 9.593 4.151 8.275 202 HB1 ALA 25 1HB ALA 25 10.416 5.046 10.454 203 HB2 ALA 25 2HB ALA 25 8.714 4.585 10.456 204 HB3 ALA 25 3HB ALA 25 9.165 6.287 10.357 205 H ASP 26 H ASP 26 8.886 7.538 7.792 206 HA ASP 26 HA ASP 26 6.092 7.452 7.785 207 HB2 ASP 26 2HB ASP 26 7.875 9.434 7.507 208 HB3 ASP 26 1HB ASP 26 7.441 9.224 5.814 209 H GLU 27 H GLU 27 8.432 6.525 5.361 210 HA GLU 27 HA GLU 27 6.215 5.689 3.608 211 HB2 GLU 27 2HB GLU 27 8.771 7.070 3.004 212 HB3 GLU 27 1HB GLU 27 8.256 5.832 1.867 213 HG2 GLU 27 2HG GLU 27 6.667 7.129 1.009 214 HG3 GLU 27 1HG GLU 27 6.109 7.645 2.601 215 H LEU 28 H LEU 28 6.958 3.902 2.056 216 HA LEU 28 HA LEU 28 8.863 2.070 3.316 217 HB2 LEU 28 2HB LEU 28 6.688 1.441 4.196 218 HB3 LEU 28 1HB LEU 28 6.026 1.360 2.575 219 HG LEU 28 HG LEU 28 8.353 -0.381 3.128 220 HD11 LEU 28 1HD1 LEU 28 7.368 -1.835 4.558 221 HD12 LEU 28 2HD1 LEU 28 5.739 -1.453 4.001 222 HD13 LEU 28 3HD1 LEU 28 6.572 -0.361 5.107 223 HD21 LEU 28 3HD2 LEU 28 7.206 -0.328 0.953 224 HD22 LEU 28 1HD2 LEU 28 5.715 -0.836 1.743 225 HD23 LEU 28 2HD2 LEU 28 7.112 -1.913 1.718 226 H SER 29 H SER 29 10.081 0.970 1.895 227 HA SER 29 HA SER 29 9.931 1.658 -0.874 228 HB2 SER 29 2HB SER 29 11.989 0.564 -1.113 229 HB3 SER 29 1HB SER 29 12.032 1.138 0.553 230 HG SER 29 HG SER 29 11.143 -1.041 1.054 231 H LEU 30 H LEU 30 9.296 0.460 -2.604 232 HA LEU 30 HA LEU 30 8.201 -2.217 -2.071 233 HB2 LEU 30 2HB LEU 30 6.795 0.152 -2.955 234 HB3 LEU 30 1HB LEU 30 6.663 -1.131 -4.142 235 HG LEU 30 HG LEU 30 5.962 -1.463 -1.228 236 HD11 LEU 30 1HD1 LEU 30 4.512 0.182 -2.387 237 HD12 LEU 30 2HD1 LEU 30 3.658 -1.268 -1.858 238 HD13 LEU 30 3HD1 LEU 30 4.094 -1.071 -3.555 239 HD21 LEU 30 3HD2 LEU 30 4.606 -3.368 -2.542 240 HD22 LEU 30 1HD2 LEU 30 6.219 -3.613 -1.873 241 HD23 LEU 30 2HD2 LEU 30 6.021 -3.237 -3.587 242 H GLN 31 H GLN 31 8.627 -3.749 -3.576 243 HA GLN 31 HA GLN 31 9.943 -2.896 -6.065 244 HB2 GLN 31 2HB GLN 31 10.840 -5.003 -4.109 245 HB3 GLN 31 1HB GLN 31 11.376 -5.001 -5.784 246 HG2 GLN 31 2HG GLN 31 11.696 -2.421 -4.475 247 HG3 GLN 31 1HG GLN 31 12.603 -3.719 -3.699 248 HE21 GLN 31 1HE2 GLN 31 14.531 -2.681 -4.361 249 HE22 GLN 31 2HE2 GLN 31 15.103 -2.822 -5.985 250 H ILE 32 H ILE 32 9.979 -4.629 -7.731 251 HA ILE 32 HA ILE 32 7.369 -5.693 -8.079 252 HB ILE 32 HB ILE 32 9.853 -6.338 -9.669 253 HG12 ILE 32 2HG1 ILE 32 7.802 -4.354 -10.551 254 HG13 ILE 32 1HG1 ILE 32 8.995 -3.853 -9.358 255 HG21 ILE 32 1HG2 ILE 32 7.777 -6.453 -11.405 256 HG22 ILE 32 2HG2 ILE 32 7.013 -7.041 -9.928 257 HG23 ILE 32 3HG2 ILE 32 8.447 -7.850 -10.561 258 HD11 ILE 32 3HD1 ILE 32 10.245 -3.322 -11.121 259 HD12 ILE 32 1HD1 ILE 32 9.277 -4.304 -12.220 260 HD13 ILE 32 2HD1 ILE 32 10.546 -5.056 -11.254 261 H GLY 33 H GLY 33 6.566 -7.680 -7.739 262 HA2 GLY 33 2HA GLY 33 6.696 -10.037 -7.504 263 HA3 GLY 33 1HA GLY 33 8.399 -9.878 -7.110 264 H ASP 34 H ASP 34 7.072 -7.525 -5.331 265 HA ASP 34 HA ASP 34 6.950 -9.236 -2.967 266 HB2 ASP 34 2HB ASP 34 7.311 -6.276 -3.375 267 HB3 ASP 34 1HB ASP 34 6.931 -6.943 -1.791 268 H THR 35 H THR 35 5.245 -9.155 -1.476 269 HA THR 35 HA THR 35 2.690 -8.300 -2.644 270 HB THR 35 HB THR 35 3.075 -10.141 -0.283 271 HG1 THR 35 1HG THR 35 2.946 -10.758 -3.043 272 HG21 THR 35 3HG2 THR 35 0.799 -9.091 -0.820 273 HG22 THR 35 1HG2 THR 35 0.887 -10.837 -0.585 274 HG23 THR 35 2HG2 THR 35 0.796 -10.169 -2.215 275 H VAL 36 H VAL 36 1.220 -7.062 -1.456 276 HA VAL 36 HA VAL 36 2.200 -5.937 1.073 277 HB VAL 36 HB VAL 36 1.263 -3.703 0.294 278 HG11 VAL 36 1HG1 VAL 36 3.743 -4.881 -0.939 279 HG12 VAL 36 2HG1 VAL 36 3.613 -3.959 0.558 280 HG13 VAL 36 3HG1 VAL 36 3.348 -3.164 -0.993 281 HG21 VAL 36 3HG2 VAL 36 0.088 -4.729 -1.687 282 HG22 VAL 36 1HG2 VAL 36 1.671 -4.867 -2.450 283 HG23 VAL 36 2HG2 VAL 36 1.032 -3.279 -2.028 284 H HIS 37 H HIS 37 0.670 -5.482 2.582 285 HA HIS 37 HA HIS 37 -2.072 -6.315 1.937 286 HB2 HIS 37 2HB HIS 37 -0.845 -7.497 3.781 287 HB3 HIS 37 1HB HIS 37 -0.822 -5.978 4.670 288 HD1 HIS 37 1HD HIS 37 -2.304 -8.688 5.516 289 HD2 HIS 37 2HD HIS 37 -4.066 -5.288 3.902 290 HE1 HIS 37 1HE HIS 37 -4.712 -8.771 6.239 291 HE2 HIS 37 2HE HIS 37 -5.736 -6.659 5.323 292 H ILE 38 H ILE 38 -3.382 -4.683 1.462 293 HA ILE 38 HA ILE 38 -2.875 -2.013 2.447 294 HB ILE 38 HB ILE 38 -5.216 -2.959 0.795 295 HG12 ILE 38 2HG1 ILE 38 -3.020 -1.531 -0.547 296 HG13 ILE 38 1HG1 ILE 38 -2.597 -3.141 0.021 297 HG21 ILE 38 1HG2 ILE 38 -4.242 -0.343 1.737 298 HG22 ILE 38 2HG2 ILE 38 -5.876 -0.872 1.335 299 HG23 ILE 38 3HG2 ILE 38 -4.758 -0.412 0.052 300 HD11 ILE 38 3HD1 ILE 38 -3.587 -4.022 -1.742 301 HD12 ILE 38 1HD1 ILE 38 -4.019 -2.407 -2.306 302 HD13 ILE 38 2HD1 ILE 38 -5.121 -3.298 -1.256 303 H LEU 39 H LEU 39 -3.670 -1.221 4.267 304 HA LEU 39 HA LEU 39 -6.063 -2.484 5.430 305 HB2 LEU 39 2HB LEU 39 -5.276 -1.905 7.588 306 HB3 LEU 39 1HB LEU 39 -3.924 -2.622 6.734 307 HG LEU 39 HG LEU 39 -3.407 -0.057 6.199 308 HD11 LEU 39 1HD1 LEU 39 -4.302 0.326 8.983 309 HD12 LEU 39 2HD1 LEU 39 -5.562 0.327 7.749 310 HD13 LEU 39 3HD1 LEU 39 -4.225 1.472 7.643 311 HD21 LEU 39 3HD2 LEU 39 -2.217 -1.983 7.623 312 HD22 LEU 39 1HD2 LEU 39 -2.626 -0.873 8.929 313 HD23 LEU 39 2HD2 LEU 39 -1.633 -0.319 7.581 314 H GLU 40 H GLU 40 -4.672 0.468 4.281 315 HA GLU 40 HA GLU 40 -7.192 1.855 4.887 316 HB2 GLU 40 2HB GLU 40 -4.526 2.541 5.791 317 HB3 GLU 40 1HB GLU 40 -5.215 3.837 4.826 318 HG2 GLU 40 2HG GLU 40 -6.982 4.165 6.298 319 HG3 GLU 40 1HG GLU 40 -6.781 2.579 7.042 320 H THR 41 H THR 41 -7.818 3.456 3.364 321 HA THR 41 HA THR 41 -6.224 3.740 0.946 322 HB THR 41 HB THR 41 -7.618 1.713 0.585 323 HG1 THR 41 1HG THR 41 -8.446 2.418 -1.412 324 HG21 THR 41 3HG2 THR 41 -9.576 2.416 1.929 325 HG22 THR 41 1HG2 THR 41 -9.984 1.848 0.310 326 HG23 THR 41 2HG2 THR 41 -9.975 3.576 0.663 327 H TYR 42 H TYR 42 -7.693 5.100 -0.701 328 HA TYR 42 HA TYR 42 -9.585 6.901 0.305 329 HB2 TYR 42 2HB TYR 42 -7.652 7.687 1.663 330 HB3 TYR 42 1HB TYR 42 -6.795 8.062 0.172 331 HD1 TYR 42 2HD TYR 42 -7.479 9.954 -1.215 332 HD2 TYR 42 1HD TYR 42 -9.470 9.079 2.441 333 HE1 TYR 42 2HE TYR 42 -8.504 12.189 -1.246 334 HE2 TYR 42 1HE TYR 42 -10.502 11.311 2.420 335 HH TYR 42 HH TYR 42 -9.990 13.566 1.415 336 H GLU 43 H GLU 43 -6.682 7.317 -1.727 337 HA GLU 43 HA GLU 43 -7.934 6.970 -4.194 338 HB2 GLU 43 2HB GLU 43 -8.598 9.452 -2.979 339 HB3 GLU 43 1HB GLU 43 -7.511 9.801 -4.315 340 HG2 GLU 43 2HG GLU 43 -10.053 8.199 -4.501 341 HG3 GLU 43 1HG GLU 43 -9.858 9.882 -4.985 342 H GLY 44 H GLY 44 -6.088 6.075 -4.951 343 HA2 GLY 44 2HA GLY 44 -3.938 5.930 -5.753 344 HA3 GLY 44 1HA GLY 44 -4.022 7.675 -5.954 345 H TRP 45 H TRP 45 -4.427 6.179 -2.844 346 HA TRP 45 HA TRP 45 -1.707 6.412 -2.020 347 HB2 TRP 45 2HB TRP 45 -2.930 8.804 -2.088 348 HB3 TRP 45 1HB TRP 45 -3.453 8.273 -0.500 349 HD1 TRP 45 HD TRP 45 -2.035 10.440 0.349 350 HE1 TRP 45 1HE TRP 45 0.443 10.663 0.981 351 HE3 TRP 45 3HE TRP 45 -0.187 6.240 -1.960 352 HZ2 TRP 45 2HZ TRP 45 2.847 9.273 0.569 353 HZ3 TRP 45 3HZ TRP 45 2.215 5.780 -1.785 354 HH2 TRP 45 HH TRP 45 3.701 7.261 -0.544 355 H TYR 46 H TYR 46 -1.846 4.403 -1.105 356 HA TYR 46 HA TYR 46 -3.840 4.074 1.045 357 HB2 TYR 46 2HB TYR 46 -2.586 1.787 -0.463 358 HB3 TYR 46 1HB TYR 46 -4.024 1.768 0.549 359 HD1 TYR 46 2HD TYR 46 -5.249 4.331 -0.681 360 HD2 TYR 46 1HD TYR 46 -3.590 0.805 -2.386 361 HE1 TYR 46 2HE TYR 46 -6.651 4.644 -2.677 362 HE2 TYR 46 1HE TYR 46 -4.986 1.106 -4.385 363 HH TYR 46 HH TYR 46 -6.197 3.562 -5.430 364 H ARG 47 H ARG 47 -3.201 2.635 2.799 365 HA ARG 47 HA ARG 47 -0.296 2.670 3.287 366 HB2 ARG 47 2HB ARG 47 -1.512 4.344 4.659 367 HB3 ARG 47 1HB ARG 47 -2.487 3.048 5.337 368 HG2 ARG 47 2HG ARG 47 -0.692 2.154 6.525 369 HG3 ARG 47 1HG ARG 47 0.500 3.016 5.550 370 HD2 ARG 47 2HD ARG 47 -0.803 5.116 6.533 371 HD3 ARG 47 1HD ARG 47 -1.154 3.967 7.823 372 HE ARG 47 HE ARG 47 1.552 3.777 7.389 373 HH11 ARG 47 1HH1 ARG 47 -0.672 6.313 8.279 374 HH12 ARG 47 2HH1 ARG 47 0.501 7.190 9.203 375 HH21 ARG 47 1HH2 ARG 47 3.098 4.928 8.604 376 HH22 ARG 47 2HH2 ARG 47 2.642 6.405 9.386 377 H GLY 48 H GLY 48 0.600 0.763 3.805 378 HA2 GLY 48 2HA GLY 48 -0.949 -1.312 5.098 379 HA3 GLY 48 1HA GLY 48 -0.509 -1.666 3.434 380 H TYR 49 H TYR 49 0.604 -3.501 4.447 381 HA TYR 49 HA TYR 49 3.362 -2.756 5.074 382 HB2 TYR 49 2HB TYR 49 3.380 -4.544 6.877 383 HB3 TYR 49 1HB TYR 49 2.512 -3.063 7.270 384 HD1 TYR 49 2HD TYR 49 2.145 -6.617 6.388 385 HD2 TYR 49 1HD TYR 49 0.138 -3.074 7.623 386 HE1 TYR 49 2HE TYR 49 0.141 -7.943 6.916 387 HE2 TYR 49 1HE TYR 49 -1.870 -4.391 8.155 388 HH TYR 49 HH TYR 49 -1.848 -7.808 8.285 389 H THR 50 H THR 50 4.737 -3.899 3.887 390 HA THR 50 HA THR 50 3.899 -5.867 2.067 391 HB THR 50 HB THR 50 6.608 -6.281 2.288 392 HG1 THR 50 1HG THR 50 7.490 -4.218 2.657 393 HG21 THR 50 3HG2 THR 50 6.865 -5.035 0.360 394 HG22 THR 50 1HG2 THR 50 5.601 -3.891 0.808 395 HG23 THR 50 2HG2 THR 50 5.171 -5.523 0.295 396 H LEU 51 H LEU 51 4.229 -8.100 2.002 397 HA LEU 51 HA LEU 51 3.777 -9.503 4.374 398 HB2 LEU 51 2HB LEU 51 4.460 -10.225 1.579 399 HB3 LEU 51 1HB LEU 51 4.725 -11.458 2.799 400 HG LEU 51 HG LEU 51 2.527 -11.662 1.700 401 HD11 LEU 51 1HD1 LEU 51 3.107 -12.017 4.302 402 HD12 LEU 51 2HD1 LEU 51 1.540 -12.398 3.587 403 HD13 LEU 51 3HD1 LEU 51 1.774 -10.869 4.435 404 HD21 LEU 51 3HD2 LEU 51 1.830 -9.528 1.143 405 HD22 LEU 51 1HD2 LEU 51 2.227 -8.872 2.732 406 HD23 LEU 51 2HD2 LEU 51 0.811 -9.905 2.533 407 H ARG 52 H ARG 52 6.742 -8.609 2.769 408 HA ARG 52 HA ARG 52 8.421 -10.382 4.269 409 HB2 ARG 52 2HB ARG 52 8.781 -8.281 2.233 410 HB3 ARG 52 1HB ARG 52 10.111 -8.440 3.371 411 HG2 ARG 52 2HG ARG 52 8.982 -10.803 1.909 412 HG3 ARG 52 1HG ARG 52 10.245 -9.781 1.218 413 HD2 ARG 52 2HD ARG 52 10.362 -11.458 3.712 414 HD3 ARG 52 1HD ARG 52 11.353 -11.593 2.261 415 HE ARG 52 HE ARG 52 11.760 -9.816 4.478 416 HH11 ARG 52 1HH1 ARG 52 12.358 -10.314 1.076 417 HH12 ARG 52 2HH1 ARG 52 13.759 -9.297 1.045 418 HH21 ARG 52 1HH2 ARG 52 13.603 -8.477 4.439 419 HH22 ARG 52 2HH2 ARG 52 14.466 -8.255 2.954 420 H LYS 53 H LYS 53 7.285 -7.088 4.617 421 HA LYS 53 HA LYS 53 8.743 -6.905 7.172 422 HB2 LYS 53 2HB LYS 53 7.799 -4.549 5.545 423 HB3 LYS 53 1HB LYS 53 8.919 -4.547 6.900 424 HG2 LYS 53 2HG LYS 53 10.603 -5.639 5.588 425 HG3 LYS 53 1HG LYS 53 9.476 -5.856 4.248 426 HD2 LYS 53 2HD LYS 53 10.600 -3.988 3.539 427 HD3 LYS 53 1HD LYS 53 9.274 -3.237 4.430 428 HE2 LYS 53 2HE LYS 53 10.642 -2.778 6.288 429 HE3 LYS 53 1HE LYS 53 11.904 -3.876 5.730 430 HZ1 LYS 53 3HZ LYS 53 11.362 -1.130 4.958 431 HZ2 LYS 53 1HZ LYS 53 11.811 -2.167 3.698 432 HZ3 LYS 53 2HZ LYS 53 12.832 -1.966 5.032 433 H LYS 54 H LYS 54 6.958 -7.977 8.199 434 HA LYS 54 HA LYS 54 4.326 -6.887 8.134 435 HB2 LYS 54 2HB LYS 54 5.656 -8.809 10.051 436 HB3 LYS 54 1HB LYS 54 3.948 -8.391 10.105 437 HG2 LYS 54 2HG LYS 54 4.073 -9.145 7.565 438 HG3 LYS 54 1HG LYS 54 5.432 -10.086 8.183 439 HD2 LYS 54 2HD LYS 54 4.037 -11.183 9.784 440 HD3 LYS 54 1HD LYS 54 2.686 -10.106 9.423 441 HE2 LYS 54 2HE LYS 54 2.095 -11.256 7.578 442 HE3 LYS 54 1HE LYS 54 3.767 -11.565 7.113 443 HZ1 LYS 54 3HZ LYS 54 1.969 -13.164 8.746 444 HZ2 LYS 54 1HZ LYS 54 3.582 -13.112 9.256 445 HZ3 LYS 54 2HZ LYS 54 3.203 -13.653 7.698 446 H SER 55 H SER 55 7.157 -6.374 10.116 447 HA SER 55 HA SER 55 5.777 -4.923 12.171 448 HB2 SER 55 2HB SER 55 7.959 -6.174 12.478 449 HB3 SER 55 1HB SER 55 8.742 -4.867 11.590 450 HG SER 55 HG SER 55 8.214 -3.457 13.200 451 H LYS 56 H LYS 56 7.700 -4.082 9.328 452 HA LYS 56 HA LYS 56 7.517 -1.253 9.834 453 HB2 LYS 56 2HB LYS 56 9.223 -2.811 8.368 454 HB3 LYS 56 1HB LYS 56 8.215 -2.111 7.110 455 HG2 LYS 56 2HG LYS 56 9.869 -0.546 7.238 456 HG3 LYS 56 1HG LYS 56 8.712 0.123 8.391 457 HD2 LYS 56 2HD LYS 56 10.758 0.240 9.512 458 HD3 LYS 56 1HD LYS 56 10.002 -1.218 10.160 459 HE2 LYS 56 2HE LYS 56 11.637 -1.662 7.768 460 HE3 LYS 56 1HE LYS 56 12.539 -1.070 9.164 461 HZ1 LYS 56 3HZ LYS 56 10.657 -3.215 9.695 462 HZ2 LYS 56 1HZ LYS 56 12.226 -2.977 10.286 463 HZ3 LYS 56 2HZ LYS 56 11.991 -3.638 8.746 464 H LYS 57 H LYS 57 6.114 0.191 8.991 465 HA LYS 57 HA LYS 57 4.071 -0.828 7.128 466 HB2 LYS 57 2HB LYS 57 3.202 -0.515 9.438 467 HB3 LYS 57 1HB LYS 57 3.638 1.186 9.342 468 HG2 LYS 57 2HG LYS 57 2.123 1.315 7.317 469 HG3 LYS 57 1HG LYS 57 1.537 -0.284 7.782 470 HD2 LYS 57 2HD LYS 57 1.592 1.943 9.781 471 HD3 LYS 57 1HD LYS 57 0.276 1.834 8.609 472 HE2 LYS 57 2HE LYS 57 -0.605 0.619 10.339 473 HE3 LYS 57 1HE LYS 57 0.187 -0.661 9.422 474 HZ1 LYS 57 3HZ LYS 57 1.064 -1.134 11.421 475 HZ2 LYS 57 1HZ LYS 57 0.844 0.428 12.031 476 HZ3 LYS 57 2HZ LYS 57 2.165 0.089 11.030 477 H GLY 58 H GLY 58 3.222 0.666 5.611 478 HA2 GLY 58 2HA GLY 58 4.234 3.349 5.460 479 HA3 GLY 58 1HA GLY 58 4.998 2.279 4.300 480 H ILE 59 H ILE 59 3.949 4.013 2.904 481 HA ILE 59 HA ILE 59 1.279 3.055 2.111 482 HB ILE 59 HB ILE 59 0.916 5.479 1.292 483 HG12 ILE 59 2HG1 ILE 59 3.066 5.906 3.384 484 HG13 ILE 59 1HG1 ILE 59 3.189 6.290 1.671 485 HG21 ILE 59 1HG2 ILE 59 0.443 6.053 3.897 486 HG22 ILE 59 2HG2 ILE 59 0.614 4.299 3.969 487 HG23 ILE 59 3HG2 ILE 59 -0.588 5.026 2.903 488 HD11 ILE 59 3HD1 ILE 59 1.106 7.788 2.174 489 HD12 ILE 59 1HD1 ILE 59 2.735 8.345 2.556 490 HD13 ILE 59 2HD1 ILE 59 1.704 7.692 3.830 491 H PHE 60 H PHE 60 0.778 3.290 -0.142 492 HA PHE 60 HA PHE 60 2.951 3.974 -1.948 493 HB2 PHE 60 2HB PHE 60 2.716 1.780 -3.157 494 HB3 PHE 60 1HB PHE 60 3.473 1.668 -1.571 495 HD1 PHE 60 1HD PHE 60 0.069 1.480 -3.093 496 HD2 PHE 60 2HD PHE 60 2.792 -0.028 -0.192 497 HE1 PHE 60 1HE PHE 60 -1.585 -0.213 -2.426 498 HE2 PHE 60 2HE PHE 60 1.143 -1.727 0.477 499 HZ PHE 60 HZ PHE 60 -1.049 -1.817 -0.646 500 HA PRO 61 HA PRO 61 -0.462 5.216 -4.462 501 HB2 PRO 61 2HB PRO 61 0.659 5.301 -6.900 502 HB3 PRO 61 1HB PRO 61 1.133 6.424 -5.622 503 HG2 PRO 61 2HG PRO 61 2.503 3.937 -6.561 504 HG3 PRO 61 1HG PRO 61 3.205 5.510 -6.142 505 HD2 PRO 61 2HD PRO 61 3.180 3.351 -4.453 506 HD3 PRO 61 1HD PRO 61 3.226 5.037 -3.900 507 H ALA 62 H ALA 62 -2.157 4.307 -5.471 508 HA ALA 62 HA ALA 62 -2.247 1.509 -5.903 509 HB1 ALA 62 1HB ALA 62 -4.124 3.287 -5.353 510 HB2 ALA 62 2HB ALA 62 -4.493 1.772 -6.181 511 HB3 ALA 62 3HB ALA 62 -4.317 3.264 -7.106 512 H SER 63 H SER 63 -1.042 3.962 -7.861 513 HA SER 63 HA SER 63 -1.842 3.416 -10.417 514 HB2 SER 63 2HB SER 63 1.057 3.927 -9.811 515 HB3 SER 63 1HB SER 63 0.088 4.520 -11.159 516 HG SER 63 HG SER 63 0.562 5.721 -8.860 517 H TYR 64 H TYR 64 0.132 1.378 -8.389 518 HA TYR 64 HA TYR 64 0.272 -0.534 -10.610 519 HB2 TYR 64 2HB TYR 64 2.576 -1.139 -10.025 520 HB3 TYR 64 1HB TYR 64 2.458 0.548 -10.510 521 HD1 TYR 64 1HD TYR 64 2.839 -1.711 -7.605 522 HD2 TYR 64 2HD TYR 64 3.065 2.295 -9.020 523 HE1 TYR 64 1HE TYR 64 3.948 -1.044 -5.518 524 HE2 TYR 64 2HE TYR 64 4.179 2.972 -6.936 525 HH TYR 64 HH TYR 64 5.679 1.133 -4.969 526 H ILE 65 H ILE 65 -1.358 -0.275 -8.089 527 HA ILE 65 HA ILE 65 -0.478 -2.688 -6.671 528 HB ILE 65 HB ILE 65 -2.733 -0.840 -5.899 529 HG12 ILE 65 2HG1 ILE 65 -0.605 0.383 -5.930 530 HG13 ILE 65 1HG1 ILE 65 -1.171 0.142 -4.280 531 HG21 ILE 65 1HG2 ILE 65 -1.274 -2.476 -3.921 532 HG22 ILE 65 2HG2 ILE 65 -2.317 -3.346 -5.046 533 HG23 ILE 65 3HG2 ILE 65 -2.989 -2.077 -4.022 534 HD11 ILE 65 3HD1 ILE 65 1.292 -0.202 -4.699 535 HD12 ILE 65 1HD1 ILE 65 0.841 -1.666 -5.572 536 HD13 ILE 65 2HD1 ILE 65 0.448 -1.504 -3.860 537 H HIS 66 H HIS 66 -1.534 -4.571 -6.795 538 HA HIS 66 HA HIS 66 -4.173 -4.625 -8.092 539 HB2 HIS 66 2HB HIS 66 -2.308 -5.289 -9.663 540 HB3 HIS 66 1HB HIS 66 -2.007 -6.667 -8.609 541 HD1 HIS 66 1HD HIS 66 -3.916 -5.687 -11.503 542 HD2 HIS 66 2HD HIS 66 -4.419 -8.391 -8.388 543 HE1 HIS 66 1HE HIS 66 -5.672 -7.304 -12.294 544 HE2 HIS 66 2HE HIS 66 -6.023 -8.878 -10.358 545 H LEU 67 H LEU 67 -5.630 -5.562 -6.830 546 HA LEU 67 HA LEU 67 -4.875 -6.955 -4.450 547 HB2 LEU 67 2HB LEU 67 -7.514 -6.358 -5.761 548 HB3 LEU 67 1HB LEU 67 -7.407 -7.355 -4.323 549 HG LEU 67 HG LEU 67 -7.974 -5.090 -3.702 550 HD11 LEU 67 1HD1 LEU 67 -6.323 -4.709 -2.039 551 HD12 LEU 67 2HD1 LEU 67 -5.088 -5.543 -2.981 552 HD13 LEU 67 3HD1 LEU 67 -6.423 -6.454 -2.275 553 HD21 LEU 67 3HD2 LEU 67 -5.351 -4.093 -4.737 554 HD22 LEU 67 1HD2 LEU 67 -6.811 -3.192 -4.331 555 HD23 LEU 67 2HD2 LEU 67 -6.756 -4.167 -5.800 556 H LYS 68 H LYS 68 -4.831 -9.091 -4.027 557 HA LYS 68 HA LYS 68 -5.407 -10.907 -6.272 558 HB2 LYS 68 2HB LYS 68 -3.305 -10.856 -4.174 559 HB3 LYS 68 1HB LYS 68 -3.911 -12.438 -4.648 560 HG2 LYS 68 2HG LYS 68 -2.967 -10.438 -6.673 561 HG3 LYS 68 1HG LYS 68 -1.858 -11.542 -5.859 562 HD2 LYS 68 2HD LYS 68 -3.418 -13.408 -6.625 563 HD3 LYS 68 1HD LYS 68 -4.150 -12.204 -7.688 564 HE2 LYS 68 2HE LYS 68 -1.567 -11.812 -8.286 565 HE3 LYS 68 1HE LYS 68 -1.501 -13.513 -7.830 566 HZ1 LYS 68 3HZ LYS 68 -3.107 -14.046 -9.479 567 HZ2 LYS 68 1HZ LYS 68 -1.923 -13.098 -10.229 568 HZ3 LYS 68 2HZ LYS 68 -3.415 -12.417 -9.815 569 H GLU 69 H GLU 69 -5.634 -13.296 -5.161 570 HA GLU 69 HA GLU 69 -7.968 -13.019 -3.395 571 HB2 GLU 69 2HB GLU 69 -7.242 -14.906 -5.575 572 HB3 GLU 69 1HB GLU 69 -8.178 -15.552 -4.234 573 HG2 GLU 69 2HG GLU 69 -9.617 -13.362 -4.722 574 HG3 GLU 69 1HG GLU 69 -8.947 -13.620 -6.333 575 H ALA 70 H ALA 70 -5.827 -12.748 -1.930 576 HA ALA 70 HA ALA 70 -4.649 -13.549 -0.157 577 HB1 ALA 70 1HB ALA 70 -6.600 -15.844 -0.211 578 HB2 ALA 70 2HB ALA 70 -6.942 -14.267 0.500 579 HB3 ALA 70 3HB ALA 70 -5.656 -15.275 1.165 580 H ILE 71 H ILE 71 -3.312 -14.006 -2.385 581 HA ILE 71 HA ILE 71 -2.676 -16.795 -2.748 582 HB ILE 71 HB ILE 71 -0.943 -15.976 -4.310 583 HG12 ILE 71 2HG1 ILE 71 -2.011 -13.203 -3.800 584 HG13 ILE 71 1HG1 ILE 71 -0.590 -13.822 -2.963 585 HG21 ILE 71 1HG2 ILE 71 -2.463 -15.100 -5.982 586 HG22 ILE 71 2HG2 ILE 71 -3.638 -14.690 -4.730 587 HG23 ILE 71 3HG2 ILE 71 -3.250 -16.380 -5.056 588 HD11 ILE 71 3HD1 ILE 71 0.465 -14.210 -5.174 589 HD12 ILE 71 1HD1 ILE 71 0.120 -12.515 -4.829 590 HD13 ILE 71 2HD1 ILE 71 -0.922 -13.424 -5.924 591 H VAL 72 H VAL 72 -0.179 -17.270 -2.856 592 HA VAL 72 HA VAL 72 1.243 -16.078 -0.605 593 HB VAL 72 HB VAL 72 0.022 -17.983 0.365 594 HG11 VAL 72 1HG1 VAL 72 -0.040 -20.057 -0.505 595 HG12 VAL 72 2HG1 VAL 72 1.641 -20.002 -1.034 596 HG13 VAL 72 3HG1 VAL 72 0.386 -19.231 -2.003 597 HG21 VAL 72 3HG2 VAL 72 2.938 -17.736 0.307 598 HG22 VAL 72 1HG2 VAL 72 2.357 -19.309 0.853 599 HG23 VAL 72 2HG2 VAL 72 1.834 -17.842 1.676 600 H GLU 73 H GLU 73 1.987 -15.519 -3.064 601 HA GLU 73 HA GLU 73 4.389 -17.163 -3.473 602 HB2 GLU 73 2HB GLU 73 2.689 -16.003 -5.688 603 HB3 GLU 73 1HB GLU 73 4.163 -16.942 -5.890 604 HG2 GLU 73 2HG GLU 73 1.980 -18.204 -4.350 605 HG3 GLU 73 1HG GLU 73 1.723 -17.995 -6.083 606 H GLY 74 H GLY 74 5.539 -15.576 -2.282 607 HA2 GLY 74 2HA GLY 74 6.377 -13.336 -3.937 608 HA3 GLY 74 1HA GLY 74 5.634 -12.908 -2.403 Start of MODEL 18 1 H1 MET 1 1HT MET 1 -14.945 9.164 10.266 2 H2 MET 1 2HT MET 1 -15.182 7.470 10.421 3 H3 MET 1 3HT MET 1 -15.002 8.176 8.868 4 HA MET 1 HA MET 1 -12.992 7.184 9.332 5 HB2 MET 1 2HB MET 1 -13.099 10.152 9.771 6 HB3 MET 1 1HB MET 1 -11.556 9.311 9.795 7 HG2 MET 1 2HG MET 1 -11.542 9.736 7.605 8 HG3 MET 1 1HG MET 1 -12.626 8.348 7.504 9 HE1 MET 1 2HE MET 1 -11.838 10.955 5.953 10 HE2 MET 1 3HE MET 1 -12.784 12.388 6.358 11 HE3 MET 1 1HE MET 1 -13.311 11.323 5.055 12 H THR 2 H THR 2 -11.205 6.769 10.729 13 HA THR 2 HA THR 2 -11.914 6.975 13.579 14 HB THR 2 HB THR 2 -10.515 5.008 13.932 15 HG1 THR 2 1HG THR 2 -8.955 5.041 12.450 16 HG21 THR 2 3HG2 THR 2 -12.850 4.969 12.259 17 HG22 THR 2 1HG2 THR 2 -12.337 3.834 13.509 18 HG23 THR 2 2HG2 THR 2 -11.759 3.644 11.854 19 H ARG 3 H ARG 3 -9.140 7.072 11.361 20 HA ARG 3 HA ARG 3 -7.939 9.186 12.942 21 HB2 ARG 3 2HB ARG 3 -6.274 6.747 12.358 22 HB3 ARG 3 1HB ARG 3 -5.897 8.096 13.421 23 HG2 ARG 3 2HG ARG 3 -7.612 7.374 14.982 24 HG3 ARG 3 1HG ARG 3 -8.051 6.048 13.903 25 HD2 ARG 3 2HD ARG 3 -6.643 4.907 15.266 26 HD3 ARG 3 1HD ARG 3 -5.447 5.537 14.135 27 HE ARG 3 HE ARG 3 -5.776 7.404 16.187 28 HH11 ARG 3 1HH1 ARG 3 -4.547 4.170 15.732 29 HH12 ARG 3 2HH1 ARG 3 -3.400 4.289 17.023 30 HH21 ARG 3 1HH2 ARG 3 -4.269 7.564 17.886 31 HH22 ARG 3 2HH2 ARG 3 -3.242 6.217 18.246 32 H TRP 4 H TRP 4 -7.474 6.914 10.258 33 HA TRP 4 HA TRP 4 -6.403 9.146 8.660 34 HB2 TRP 4 2HB TRP 4 -4.856 7.146 9.301 35 HB3 TRP 4 1HB TRP 4 -5.759 6.271 8.071 36 HD1 TRP 4 HD TRP 4 -4.360 9.886 7.946 37 HE1 TRP 4 1HE TRP 4 -2.896 10.092 5.838 38 HE3 TRP 4 3HE TRP 4 -4.664 5.091 6.316 39 HZ2 TRP 4 2HZ TRP 4 -1.993 8.409 3.746 40 HZ3 TRP 4 3HZ TRP 4 -3.480 4.444 4.253 41 HH2 TRP 4 HH TRP 4 -2.170 6.077 2.992 42 H VAL 5 H VAL 5 -6.466 7.942 6.164 43 HA VAL 5 HA VAL 5 -8.998 8.447 5.246 44 HB VAL 5 HB VAL 5 -8.370 7.039 3.246 45 HG11 VAL 5 1HG1 VAL 5 -7.900 9.443 3.398 46 HG12 VAL 5 2HG1 VAL 5 -6.647 8.589 2.498 47 HG13 VAL 5 3HG1 VAL 5 -6.352 9.085 4.163 48 HG21 VAL 5 3HG2 VAL 5 -5.593 6.806 3.815 49 HG22 VAL 5 1HG2 VAL 5 -6.746 5.534 3.412 50 HG23 VAL 5 2HG2 VAL 5 -6.492 5.991 5.095 51 HA PRO 6 HA PRO 6 -11.274 4.783 6.334 52 HB2 PRO 6 2HB PRO 6 -13.591 5.372 5.163 53 HB3 PRO 6 1HB PRO 6 -12.987 6.348 6.510 54 HG2 PRO 6 2HG PRO 6 -12.945 6.927 3.580 55 HG3 PRO 6 1HG PRO 6 -13.255 8.025 4.936 56 HD2 PRO 6 2HD PRO 6 -10.823 7.748 3.604 57 HD3 PRO 6 1HD PRO 6 -11.040 8.472 5.208 58 H THR 7 H THR 7 -10.739 2.885 5.420 59 HA THR 7 HA THR 7 -10.966 2.571 2.515 60 HB THR 7 HB THR 7 -8.873 1.761 3.115 61 HG1 THR 7 1HG THR 7 -8.980 -0.351 2.703 62 HG21 THR 7 3HG2 THR 7 -10.152 0.758 5.628 63 HG22 THR 7 1HG2 THR 7 -8.795 1.867 5.434 64 HG23 THR 7 2HG2 THR 7 -8.591 0.152 5.075 65 H LYS 8 H LYS 8 -12.683 1.616 1.666 66 HA LYS 8 HA LYS 8 -14.805 0.599 3.187 67 HB2 LYS 8 2HB LYS 8 -14.421 1.287 0.545 68 HB3 LYS 8 1HB LYS 8 -14.658 -0.452 0.457 69 HG2 LYS 8 2HG LYS 8 -16.755 0.745 0.175 70 HG3 LYS 8 1HG LYS 8 -16.775 -0.238 1.641 71 HD2 LYS 8 2HD LYS 8 -16.511 1.646 3.032 72 HD3 LYS 8 1HD LYS 8 -16.035 2.676 1.679 73 HE2 LYS 8 2HE LYS 8 -18.210 2.842 0.881 74 HE3 LYS 8 1HE LYS 8 -18.739 1.392 1.735 75 HZ1 LYS 8 3HZ LYS 8 -18.538 4.130 2.679 76 HZ2 LYS 8 1HZ LYS 8 -18.045 2.942 3.779 77 HZ3 LYS 8 2HZ LYS 8 -19.609 2.903 3.135 78 H ARG 9 H ARG 9 -15.720 -1.709 2.511 79 HA ARG 9 HA ARG 9 -14.129 -3.603 3.827 80 HB2 ARG 9 2HB ARG 9 -16.687 -3.574 3.383 81 HB3 ARG 9 1HB ARG 9 -16.277 -4.382 1.876 82 HG2 ARG 9 2HG ARG 9 -15.626 -6.309 2.921 83 HG3 ARG 9 1HG ARG 9 -15.192 -5.479 4.417 84 HD2 ARG 9 2HD ARG 9 -17.121 -6.358 5.173 85 HD3 ARG 9 1HD ARG 9 -17.846 -4.987 4.331 86 HE ARG 9 HE ARG 9 -17.665 -6.982 2.454 87 HH11 ARG 9 1HH1 ARG 9 -19.187 -6.612 5.571 88 HH12 ARG 9 2HH1 ARG 9 -20.486 -7.695 5.206 89 HH21 ARG 9 1HH2 ARG 9 -19.373 -8.408 1.969 90 HH22 ARG 9 2HH2 ARG 9 -20.592 -8.716 3.161 91 H GLU 10 H GLU 10 -12.083 -3.553 2.811 92 HA GLU 10 HA GLU 10 -11.952 -4.633 0.089 93 HB2 GLU 10 2HB GLU 10 -10.680 -2.529 0.803 94 HB3 GLU 10 1HB GLU 10 -9.631 -3.607 1.713 95 HG2 GLU 10 2HG GLU 10 -8.416 -3.640 -0.159 96 HG3 GLU 10 1HG GLU 10 -9.616 -4.808 -0.712 97 H GLU 11 H GLU 11 -10.103 -5.042 3.115 98 HA GLU 11 HA GLU 11 -9.143 -6.866 4.075 99 HB2 GLU 11 2HB GLU 11 -11.743 -7.586 3.447 100 HB3 GLU 11 1HB GLU 11 -10.786 -8.904 2.786 101 HG2 GLU 11 2HG GLU 11 -11.379 -9.518 4.986 102 HG3 GLU 11 1HG GLU 11 -9.670 -9.090 5.020 103 H LYS 12 H LYS 12 -8.181 -9.127 3.535 104 HA LYS 12 HA LYS 12 -6.645 -10.317 2.354 105 HB2 LYS 12 2HB LYS 12 -8.420 -9.326 0.136 106 HB3 LYS 12 1HB LYS 12 -7.007 -10.317 -0.199 107 HG2 LYS 12 2HG LYS 12 -7.892 -12.155 0.985 108 HG3 LYS 12 1HG LYS 12 -9.166 -11.168 1.708 109 HD2 LYS 12 2HD LYS 12 -9.779 -10.755 -0.836 110 HD3 LYS 12 1HD LYS 12 -8.958 -12.305 -1.033 111 HE2 LYS 12 2HE LYS 12 -10.999 -13.149 -0.590 112 HE3 LYS 12 1HE LYS 12 -10.536 -12.854 1.086 113 HZ1 LYS 12 3HZ LYS 12 -12.509 -11.776 1.064 114 HZ2 LYS 12 1HZ LYS 12 -12.450 -11.432 -0.592 115 HZ3 LYS 12 2HZ LYS 12 -11.555 -10.500 0.498 116 H TYR 13 H TYR 13 -4.854 -10.118 0.702 117 HA TYR 13 HA TYR 13 -3.899 -7.333 0.637 118 HB2 TYR 13 2HB TYR 13 -1.592 -8.506 0.478 119 HB3 TYR 13 1HB TYR 13 -2.398 -8.438 2.039 120 HD1 TYR 13 2HD TYR 13 -2.161 -10.677 -0.947 121 HD2 TYR 13 1HD TYR 13 -2.511 -10.380 3.282 122 HE1 TYR 13 2HE TYR 13 -2.004 -13.124 -0.769 123 HE2 TYR 13 1HE TYR 13 -2.354 -12.826 3.472 124 HH TYR 13 HH TYR 13 -2.679 -14.802 2.151 125 H GLY 14 H GLY 14 -2.292 -6.900 -1.138 126 HA2 GLY 14 2HA GLY 14 -3.022 -8.391 -3.581 127 HA3 GLY 14 1HA GLY 14 -2.961 -6.635 -3.553 128 H VAL 15 H VAL 15 -1.428 -6.730 -5.272 129 HA VAL 15 HA VAL 15 1.288 -7.355 -4.321 130 HB VAL 15 HB VAL 15 0.318 -7.768 -7.152 131 HG11 VAL 15 1HG1 VAL 15 2.545 -9.043 -7.246 132 HG12 VAL 15 2HG1 VAL 15 2.963 -8.143 -5.789 133 HG13 VAL 15 3HG1 VAL 15 2.597 -7.281 -7.283 134 HG21 VAL 15 3HG2 VAL 15 1.219 -10.068 -5.541 135 HG22 VAL 15 1HG2 VAL 15 -0.076 -9.952 -6.734 136 HG23 VAL 15 2HG2 VAL 15 -0.337 -9.372 -5.088 137 H ALA 16 H ALA 16 2.951 -6.017 -5.080 138 HA ALA 16 HA ALA 16 2.059 -3.533 -6.398 139 HB1 ALA 16 1HB ALA 16 3.393 -3.919 -3.844 140 HB2 ALA 16 2HB ALA 16 2.588 -2.491 -4.494 141 HB3 ALA 16 3HB ALA 16 4.272 -2.818 -4.905 142 H PHE 17 H PHE 17 2.919 -3.523 -8.399 143 HA PHE 17 HA PHE 17 5.622 -4.623 -8.747 144 HB2 PHE 17 2HB PHE 17 5.000 -4.569 -11.218 145 HB3 PHE 17 1HB PHE 17 4.133 -5.729 -10.216 146 HD1 PHE 17 2HD PHE 17 1.791 -5.312 -9.584 147 HD2 PHE 17 1HD PHE 17 3.876 -2.766 -12.283 148 HE1 PHE 17 2HE PHE 17 -0.352 -4.370 -10.346 149 HE2 PHE 17 1HE PHE 17 1.737 -1.820 -13.049 150 HZ PHE 17 HZ PHE 17 -0.380 -2.622 -12.081 151 H TYR 18 H TYR 18 6.845 -2.868 -8.122 152 HA TYR 18 HA TYR 18 7.216 -0.850 -10.123 153 HB2 TYR 18 2HB TYR 18 5.349 -0.200 -8.230 154 HB3 TYR 18 1HB TYR 18 6.816 0.477 -7.533 155 HD1 TYR 18 1HD TYR 18 4.712 0.482 -10.594 156 HD2 TYR 18 2HD TYR 18 7.694 2.504 -8.332 157 HE1 TYR 18 1HE TYR 18 4.505 2.433 -12.076 158 HE2 TYR 18 2HE TYR 18 7.495 4.461 -9.806 159 HH TYR 18 HH TYR 18 5.748 4.365 -12.763 160 H ASN 19 H ASN 19 8.869 0.857 -9.170 161 HA ASN 19 HA ASN 19 10.900 -0.663 -7.670 162 HB2 ASN 19 2HB ASN 19 11.333 1.430 -9.815 163 HB3 ASN 19 1HB ASN 19 12.607 0.617 -8.912 164 HD21 ASN 19 1HD2 ASN 19 9.802 -0.078 -10.959 165 HD22 ASN 19 2HD2 ASN 19 10.508 -1.436 -11.762 166 H TYR 20 H TYR 20 9.218 0.570 -6.089 167 HA TYR 20 HA TYR 20 9.991 3.309 -5.573 168 HB2 TYR 20 2HB TYR 20 7.644 2.279 -5.272 169 HB3 TYR 20 1HB TYR 20 8.278 1.612 -3.774 170 HD1 TYR 20 2HD TYR 20 9.681 3.552 -2.394 171 HD2 TYR 20 1HD TYR 20 6.379 4.175 -5.006 172 HE1 TYR 20 2HE TYR 20 9.174 5.662 -1.241 173 HE2 TYR 20 1HE TYR 20 5.863 6.286 -3.856 174 HH TYR 20 HH TYR 20 6.778 7.095 -0.993 175 H ASP 21 H ASP 21 11.528 3.958 -4.225 176 HA ASP 21 HA ASP 21 12.528 2.062 -2.206 177 HB2 ASP 21 2HB ASP 21 14.132 3.939 -3.953 178 HB3 ASP 21 1HB ASP 21 14.793 3.082 -2.563 179 H ALA 22 H ALA 22 11.200 3.052 -0.640 180 HA ALA 22 HA ALA 22 11.216 5.839 -0.119 181 HB1 ALA 22 1HB ALA 22 10.086 5.242 1.977 182 HB2 ALA 22 2HB ALA 22 10.441 3.541 1.675 183 HB3 ALA 22 3HB ALA 22 9.371 4.426 0.586 184 H ARG 23 H ARG 23 11.952 6.799 1.955 185 HA ARG 23 HA ARG 23 14.360 5.544 3.054 186 HB2 ARG 23 2HB ARG 23 14.196 8.259 1.767 187 HB3 ARG 23 1HB ARG 23 15.424 7.889 2.968 188 HG2 ARG 23 2HG ARG 23 16.560 6.481 1.580 189 HG3 ARG 23 1HG ARG 23 15.115 6.035 0.671 190 HD2 ARG 23 2HD ARG 23 15.156 8.023 -0.578 191 HD3 ARG 23 1HD ARG 23 16.276 8.801 0.540 192 HE ARG 23 HE ARG 23 16.940 7.099 -1.664 193 HH11 ARG 23 1HH1 ARG 23 17.994 8.198 1.477 194 HH12 ARG 23 2HH1 ARG 23 19.669 7.888 1.161 195 HH21 ARG 23 1HH2 ARG 23 19.141 6.692 -2.079 196 HH22 ARG 23 2HH2 ARG 23 20.321 7.034 -0.857 197 H GLY 24 H GLY 24 11.642 5.970 4.060 198 HA2 GLY 24 2HA GLY 24 12.360 7.063 6.622 199 HA3 GLY 24 1HA GLY 24 11.221 8.071 5.742 200 H ALA 25 H ALA 25 10.386 7.160 8.098 201 HA ALA 25 HA ALA 25 9.090 4.623 7.986 202 HB1 ALA 25 1HB ALA 25 7.821 5.641 10.005 203 HB2 ALA 25 2HB ALA 25 8.991 6.953 9.856 204 HB3 ALA 25 3HB ALA 25 9.546 5.304 10.148 205 H ASP 26 H ASP 26 8.182 7.886 7.134 206 HA ASP 26 HA ASP 26 5.384 7.499 7.030 207 HB2 ASP 26 2HB ASP 26 7.301 9.556 6.174 208 HB3 ASP 26 1HB ASP 26 5.857 9.460 5.170 209 H GLU 27 H GLU 27 7.972 6.861 4.765 210 HA GLU 27 HA GLU 27 6.013 6.036 2.738 211 HB2 GLU 27 2HB GLU 27 8.909 6.819 2.598 212 HB3 GLU 27 1HB GLU 27 8.173 5.881 1.307 213 HG2 GLU 27 2HG GLU 27 8.113 8.182 0.696 214 HG3 GLU 27 1HG GLU 27 6.468 7.663 1.057 215 H LEU 28 H LEU 28 7.145 4.163 1.311 216 HA LEU 28 HA LEU 28 8.339 2.131 3.012 217 HB2 LEU 28 2HB LEU 28 5.603 2.181 2.755 218 HB3 LEU 28 1HB LEU 28 6.077 1.056 1.497 219 HG LEU 28 HG LEU 28 6.928 0.794 4.380 220 HD11 LEU 28 1HD1 LEU 28 4.367 0.526 3.529 221 HD12 LEU 28 2HD1 LEU 28 5.073 -0.363 4.879 222 HD13 LEU 28 3HD1 LEU 28 4.983 -1.109 3.283 223 HD21 LEU 28 3HD2 LEU 28 7.168 -0.959 1.950 224 HD22 LEU 28 1HD2 LEU 28 7.313 -1.590 3.591 225 HD23 LEU 28 2HD2 LEU 28 8.448 -0.370 3.011 226 H SER 29 H SER 29 9.767 0.940 1.918 227 HA SER 29 HA SER 29 10.156 1.429 -0.889 228 HB2 SER 29 2HB SER 29 12.167 0.112 -0.662 229 HB3 SER 29 1HB SER 29 12.039 1.162 0.749 230 HG SER 29 HG SER 29 11.642 -1.615 0.550 231 H LEU 30 H LEU 30 9.024 0.410 -2.395 232 HA LEU 30 HA LEU 30 8.288 -2.405 -1.929 233 HB2 LEU 30 2HB LEU 30 6.722 -0.108 -2.876 234 HB3 LEU 30 1HB LEU 30 6.536 -1.556 -3.848 235 HG LEU 30 HG LEU 30 6.124 -1.489 -0.861 236 HD11 LEU 30 1HD1 LEU 30 3.718 -1.552 -1.388 237 HD12 LEU 30 2HD1 LEU 30 4.105 -1.289 -3.089 238 HD13 LEU 30 3HD1 LEU 30 4.487 -0.047 -1.895 239 HD21 LEU 30 3HD2 LEU 30 4.923 -3.523 -2.650 240 HD22 LEU 30 1HD2 LEU 30 5.505 -3.671 -0.992 241 HD23 LEU 30 2HD2 LEU 30 6.654 -3.639 -2.331 242 H GLN 31 H GLN 31 8.581 -3.867 -3.566 243 HA GLN 31 HA GLN 31 9.858 -2.882 -6.026 244 HB2 GLN 31 2HB GLN 31 10.693 -5.389 -4.564 245 HB3 GLN 31 1HB GLN 31 11.468 -4.667 -5.968 246 HG2 GLN 31 2HG GLN 31 11.283 -2.858 -3.691 247 HG3 GLN 31 1HG GLN 31 12.217 -4.317 -3.361 248 HE21 GLN 31 1HE2 GLN 31 13.534 -4.860 -5.570 249 HE22 GLN 31 2HE2 GLN 31 14.558 -3.556 -6.055 250 H ILE 32 H ILE 32 9.783 -4.466 -7.817 251 HA ILE 32 HA ILE 32 7.151 -5.466 -8.151 252 HB ILE 32 HB ILE 32 9.572 -6.043 -9.860 253 HG12 ILE 32 2HG1 ILE 32 7.529 -3.957 -10.513 254 HG13 ILE 32 1HG1 ILE 32 8.798 -3.572 -9.355 255 HG21 ILE 32 1HG2 ILE 32 6.928 -5.871 -11.104 256 HG22 ILE 32 2HG2 ILE 32 7.113 -7.219 -9.982 257 HG23 ILE 32 3HG2 ILE 32 8.222 -7.046 -11.343 258 HD11 ILE 32 3HD1 ILE 32 9.008 -3.180 -12.000 259 HD12 ILE 32 1HD1 ILE 32 9.703 -4.796 -11.869 260 HD13 ILE 32 2HD1 ILE 32 10.386 -3.464 -10.935 261 H GLY 33 H GLY 33 6.312 -7.442 -7.891 262 HA2 GLY 33 2HA GLY 33 6.401 -9.817 -7.835 263 HA3 GLY 33 1HA GLY 33 8.117 -9.717 -7.469 264 H ASP 34 H ASP 34 6.875 -7.461 -5.511 265 HA ASP 34 HA ASP 34 6.767 -9.318 -3.260 266 HB2 ASP 34 2HB ASP 34 7.180 -6.345 -3.485 267 HB3 ASP 34 1HB ASP 34 6.824 -7.108 -1.938 268 H THR 35 H THR 35 5.080 -9.365 -1.773 269 HA THR 35 HA THR 35 2.521 -8.409 -2.826 270 HB THR 35 HB THR 35 3.029 -10.351 -0.564 271 HG1 THR 35 1HG THR 35 3.689 -11.494 -2.236 272 HG21 THR 35 3HG2 THR 35 0.766 -9.232 -0.694 273 HG22 THR 35 1HG2 THR 35 0.784 -10.995 -0.716 274 HG23 THR 35 2HG2 THR 35 0.541 -10.097 -2.214 275 H VAL 36 H VAL 36 1.161 -7.079 -1.678 276 HA VAL 36 HA VAL 36 2.191 -6.019 0.870 277 HB VAL 36 HB VAL 36 1.372 -3.785 0.233 278 HG11 VAL 36 1HG1 VAL 36 3.598 -3.757 -0.150 279 HG12 VAL 36 2HG1 VAL 36 3.082 -3.618 -1.830 280 HG13 VAL 36 3HG1 VAL 36 3.551 -5.189 -1.178 281 HG21 VAL 36 3HG2 VAL 36 -0.231 -3.850 -1.359 282 HG22 VAL 36 1HG2 VAL 36 0.455 -5.273 -2.145 283 HG23 VAL 36 2HG2 VAL 36 1.148 -3.679 -2.448 284 H HIS 37 H HIS 37 0.698 -5.507 2.432 285 HA HIS 37 HA HIS 37 -2.029 -6.472 1.930 286 HB2 HIS 37 2HB HIS 37 -0.806 -7.568 3.769 287 HB3 HIS 37 1HB HIS 37 -0.596 -6.007 4.555 288 HD1 HIS 37 1HD HIS 37 -3.077 -4.773 5.018 289 HD2 HIS 37 2HD HIS 37 -2.933 -8.916 4.733 290 HE1 HIS 37 1HE HIS 37 -5.174 -5.598 6.133 291 HE2 HIS 37 2HE HIS 37 -5.026 -8.111 6.018 292 H ILE 38 H ILE 38 -3.342 -4.874 1.334 293 HA ILE 38 HA ILE 38 -2.927 -2.148 1.951 294 HB ILE 38 HB ILE 38 -5.443 -3.513 0.984 295 HG12 ILE 38 2HG1 ILE 38 -3.864 -1.892 -0.886 296 HG13 ILE 38 1HG1 ILE 38 -3.015 -3.318 -0.297 297 HG21 ILE 38 1HG2 ILE 38 -6.137 -1.309 0.215 298 HG22 ILE 38 2HG2 ILE 38 -4.673 -0.598 0.897 299 HG23 ILE 38 3HG2 ILE 38 -5.886 -1.310 1.961 300 HD11 ILE 38 3HD1 ILE 38 -5.718 -3.310 -1.617 301 HD12 ILE 38 1HD1 ILE 38 -4.837 -4.731 -1.056 302 HD13 ILE 38 2HD1 ILE 38 -4.192 -3.758 -2.378 303 H LEU 39 H LEU 39 -3.138 -1.250 3.863 304 HA LEU 39 HA LEU 39 -4.990 -2.360 5.829 305 HB2 LEU 39 2HB LEU 39 -2.583 -1.852 6.377 306 HB3 LEU 39 1HB LEU 39 -2.966 -0.151 6.188 307 HG LEU 39 HG LEU 39 -4.697 -1.622 8.068 308 HD11 LEU 39 1HD1 LEU 39 -2.113 -2.325 8.263 309 HD12 LEU 39 2HD1 LEU 39 -3.189 -2.166 9.652 310 HD13 LEU 39 3HD1 LEU 39 -2.098 -0.847 9.224 311 HD21 LEU 39 3HD2 LEU 39 -5.129 0.478 8.635 312 HD22 LEU 39 1HD2 LEU 39 -3.909 1.052 7.497 313 HD23 LEU 39 2HD2 LEU 39 -3.457 0.681 9.161 314 H GLU 40 H GLU 40 -4.171 0.752 4.329 315 HA GLU 40 HA GLU 40 -6.937 1.633 4.784 316 HB2 GLU 40 2HB GLU 40 -4.416 3.216 5.287 317 HB3 GLU 40 1HB GLU 40 -6.004 3.957 5.146 318 HG2 GLU 40 2HG GLU 40 -5.728 1.733 7.073 319 HG3 GLU 40 1HG GLU 40 -4.932 3.254 7.477 320 H THR 41 H THR 41 -7.693 3.229 3.226 321 HA THR 41 HA THR 41 -6.015 3.703 0.901 322 HB THR 41 HB THR 41 -7.021 1.488 0.474 323 HG1 THR 41 1HG THR 41 -7.245 2.015 -1.544 324 HG21 THR 41 3HG2 THR 41 -9.456 2.828 1.304 325 HG22 THR 41 1HG2 THR 41 -9.087 1.108 1.189 326 HG23 THR 41 2HG2 THR 41 -9.618 1.993 -0.241 327 H TYR 42 H TYR 42 -7.304 4.944 -0.815 328 HA TYR 42 HA TYR 42 -9.613 6.400 -0.051 329 HB2 TYR 42 2HB TYR 42 -7.828 7.440 1.417 330 HB3 TYR 42 1HB TYR 42 -7.070 8.028 -0.058 331 HD1 TYR 42 2HD TYR 42 -8.528 9.493 -1.610 332 HD2 TYR 42 1HD TYR 42 -9.488 8.702 2.459 333 HE1 TYR 42 2HE TYR 42 -9.986 11.472 -1.575 334 HE2 TYR 42 1HE TYR 42 -10.949 10.679 2.505 335 HH TYR 42 HH TYR 42 -12.174 12.120 -0.008 336 H GLU 43 H GLU 43 -6.628 7.216 -1.827 337 HA GLU 43 HA GLU 43 -7.627 6.656 -4.385 338 HB2 GLU 43 2HB GLU 43 -9.161 8.515 -3.948 339 HB3 GLU 43 1HB GLU 43 -7.801 9.569 -3.588 340 HG2 GLU 43 2HG GLU 43 -7.169 8.648 -6.081 341 HG3 GLU 43 1HG GLU 43 -8.927 8.763 -6.155 342 H GLY 44 H GLY 44 -5.638 5.925 -4.931 343 HA2 GLY 44 2HA GLY 44 -3.452 6.008 -5.630 344 HA3 GLY 44 1HA GLY 44 -3.671 7.745 -5.799 345 H TRP 45 H TRP 45 -4.096 6.032 -2.781 346 HA TRP 45 HA TRP 45 -1.498 6.423 -1.755 347 HB2 TRP 45 2HB TRP 45 -2.721 8.798 -1.934 348 HB3 TRP 45 1HB TRP 45 -3.379 8.278 -0.391 349 HD1 TRP 45 HD TRP 45 -2.038 10.453 0.567 350 HE1 TRP 45 1HE TRP 45 0.379 10.680 1.406 351 HE3 TRP 45 3HE TRP 45 -0.007 6.244 -1.557 352 HZ2 TRP 45 2HZ TRP 45 2.808 9.285 1.203 353 HZ3 TRP 45 3HZ TRP 45 2.372 5.779 -1.179 354 HH2 TRP 45 HH TRP 45 3.751 7.267 0.174 355 H TYR 46 H TYR 46 -1.895 4.290 -1.067 356 HA TYR 46 HA TYR 46 -3.814 4.067 1.164 357 HB2 TYR 46 2HB TYR 46 -2.917 1.670 -0.400 358 HB3 TYR 46 1HB TYR 46 -4.390 1.900 0.524 359 HD1 TYR 46 2HD TYR 46 -5.190 4.578 -0.698 360 HD2 TYR 46 1HD TYR 46 -3.864 0.924 -2.431 361 HE1 TYR 46 2HE TYR 46 -6.412 5.118 -2.763 362 HE2 TYR 46 1HE TYR 46 -5.083 1.454 -4.497 363 HH TYR 46 HH TYR 46 -7.448 3.529 -4.758 364 H ARG 47 H ARG 47 -3.194 2.921 2.993 365 HA ARG 47 HA ARG 47 -0.293 2.594 3.296 366 HB2 ARG 47 2HB ARG 47 -1.345 4.147 4.863 367 HB3 ARG 47 1HB ARG 47 -2.461 2.892 5.381 368 HG2 ARG 47 2HG ARG 47 0.234 1.964 5.662 369 HG3 ARG 47 1HG ARG 47 0.047 3.525 6.462 370 HD2 ARG 47 2HD ARG 47 -2.057 1.471 6.886 371 HD3 ARG 47 1HD ARG 47 -0.505 1.240 7.687 372 HE ARG 47 HE ARG 47 -2.506 3.213 8.307 373 HH11 ARG 47 1HH1 ARG 47 0.877 2.385 8.546 374 HH12 ARG 47 2HH1 ARG 47 1.155 3.393 9.925 375 HH21 ARG 47 1HH2 ARG 47 -2.141 4.539 10.122 376 HH22 ARG 47 2HH2 ARG 47 -0.558 4.616 10.821 377 H GLY 48 H GLY 48 0.609 0.686 3.988 378 HA2 GLY 48 2HA GLY 48 -1.009 -1.496 4.930 379 HA3 GLY 48 1HA GLY 48 -0.462 -1.723 3.276 380 H TYR 49 H TYR 49 0.573 -3.635 4.269 381 HA TYR 49 HA TYR 49 3.316 -2.980 4.979 382 HB2 TYR 49 2HB TYR 49 3.272 -4.637 6.873 383 HB3 TYR 49 1HB TYR 49 2.371 -3.154 7.172 384 HD1 TYR 49 1HD TYR 49 -0.097 -3.182 7.180 385 HD2 TYR 49 2HD TYR 49 2.163 -6.760 6.727 386 HE1 TYR 49 1HE TYR 49 -2.098 -4.507 7.715 387 HE2 TYR 49 2HE TYR 49 0.167 -8.093 7.258 388 HH TYR 49 HH TYR 49 -2.237 -7.896 7.246 389 H THR 50 H THR 50 4.675 -4.257 3.901 390 HA THR 50 HA THR 50 3.756 -6.267 2.150 391 HB THR 50 HB THR 50 6.433 -6.773 2.349 392 HG1 THR 50 1HG THR 50 7.485 -4.939 2.879 393 HG21 THR 50 3HG2 THR 50 4.819 -5.670 0.467 394 HG22 THR 50 1HG2 THR 50 6.564 -5.876 0.312 395 HG23 THR 50 2HG2 THR 50 5.901 -4.329 0.842 396 H LEU 51 H LEU 51 4.631 -8.526 2.127 397 HA LEU 51 HA LEU 51 3.913 -9.830 4.569 398 HB2 LEU 51 2HB LEU 51 4.885 -10.781 1.892 399 HB3 LEU 51 1HB LEU 51 4.711 -11.894 3.235 400 HG LEU 51 HG LEU 51 2.764 -11.911 1.718 401 HD11 LEU 51 1HD1 LEU 51 2.696 -12.270 4.285 402 HD12 LEU 51 2HD1 LEU 51 1.184 -12.093 3.393 403 HD13 LEU 51 3HD1 LEU 51 1.838 -10.730 4.303 404 HD21 LEU 51 3HD2 LEU 51 1.352 -10.057 1.428 405 HD22 LEU 51 1HD2 LEU 51 2.983 -9.426 1.206 406 HD23 LEU 51 2HD2 LEU 51 2.132 -9.152 2.726 407 H ARG 52 H ARG 52 6.907 -9.013 2.960 408 HA ARG 52 HA ARG 52 8.604 -10.700 4.484 409 HB2 ARG 52 2HB ARG 52 9.306 -8.103 3.102 410 HB3 ARG 52 1HB ARG 52 10.430 -9.362 3.597 411 HG2 ARG 52 2HG ARG 52 9.790 -10.786 1.901 412 HG3 ARG 52 1HG ARG 52 8.218 -10.011 1.702 413 HD2 ARG 52 2HD ARG 52 9.039 -8.384 0.352 414 HD3 ARG 52 1HD ARG 52 10.598 -8.337 1.175 415 HE ARG 52 HE ARG 52 9.913 -9.884 -1.133 416 HH11 ARG 52 1HH1 ARG 52 11.979 -9.765 1.678 417 HH12 ARG 52 2HH1 ARG 52 13.203 -10.768 0.974 418 HH21 ARG 52 1HH2 ARG 52 11.521 -11.203 -2.059 419 HH22 ARG 52 2HH2 ARG 52 12.945 -11.584 -1.146 420 H LYS 53 H LYS 53 7.836 -7.233 4.739 421 HA LYS 53 HA LYS 53 8.756 -7.336 7.538 422 HB2 LYS 53 2HB LYS 53 9.226 -4.872 7.265 423 HB3 LYS 53 1HB LYS 53 10.286 -5.946 6.361 424 HG2 LYS 53 2HG LYS 53 8.832 -5.542 4.360 425 HG3 LYS 53 1HG LYS 53 8.006 -4.297 5.301 426 HD2 LYS 53 2HD LYS 53 9.730 -2.849 5.133 427 HD3 LYS 53 1HD LYS 53 10.945 -4.122 5.284 428 HE2 LYS 53 2HE LYS 53 11.010 -4.515 3.035 429 HE3 LYS 53 1HE LYS 53 9.331 -4.033 2.792 430 HZ1 LYS 53 3HZ LYS 53 11.745 -2.420 2.765 431 HZ2 LYS 53 1HZ LYS 53 10.408 -1.716 3.524 432 HZ3 LYS 53 2HZ LYS 53 10.299 -2.219 1.913 433 H LYS 54 H LYS 54 6.512 -8.001 7.958 434 HA LYS 54 HA LYS 54 4.325 -6.277 7.441 435 HB2 LYS 54 2HB LYS 54 4.686 -8.459 9.502 436 HB3 LYS 54 1HB LYS 54 3.160 -7.646 9.183 437 HG2 LYS 54 2HG LYS 54 3.201 -8.463 6.881 438 HG3 LYS 54 1HG LYS 54 4.731 -9.284 7.204 439 HD2 LYS 54 2HD LYS 54 3.734 -10.969 8.322 440 HD3 LYS 54 1HD LYS 54 2.564 -9.898 9.095 441 HE2 LYS 54 2HE LYS 54 1.015 -10.233 7.501 442 HE3 LYS 54 1HE LYS 54 2.206 -10.217 6.200 443 HZ1 LYS 54 3HZ LYS 54 1.960 -12.518 8.040 444 HZ2 LYS 54 1HZ LYS 54 2.677 -12.465 6.508 445 HZ3 LYS 54 2HZ LYS 54 0.995 -12.387 6.657 446 H SER 55 H SER 55 6.698 -6.444 9.991 447 HA SER 55 HA SER 55 5.396 -4.962 11.971 448 HB2 SER 55 2HB SER 55 8.315 -4.532 11.633 449 HB3 SER 55 1HB SER 55 7.399 -4.985 13.071 450 HG SER 55 HG SER 55 7.152 -7.086 12.044 451 H LYS 56 H LYS 56 7.797 -3.784 9.606 452 HA LYS 56 HA LYS 56 7.297 -1.045 10.193 453 HB2 LYS 56 2HB LYS 56 9.393 -2.152 9.133 454 HB3 LYS 56 1HB LYS 56 8.512 -2.004 7.618 455 HG2 LYS 56 2HG LYS 56 9.815 -0.092 7.669 456 HG3 LYS 56 1HG LYS 56 8.248 0.473 8.253 457 HD2 LYS 56 2HD LYS 56 9.089 1.033 10.248 458 HD3 LYS 56 1HD LYS 56 9.941 -0.504 10.406 459 HE2 LYS 56 2HE LYS 56 11.824 0.300 9.256 460 HE3 LYS 56 1HE LYS 56 10.946 1.688 8.616 461 HZ1 LYS 56 3HZ LYS 56 12.171 2.613 10.310 462 HZ2 LYS 56 1HZ LYS 56 12.026 1.264 11.320 463 HZ3 LYS 56 2HZ LYS 56 10.708 2.302 11.102 464 H LYS 57 H LYS 57 5.478 -0.021 9.709 465 HA LYS 57 HA LYS 57 3.900 -0.876 7.404 466 HB2 LYS 57 2HB LYS 57 3.338 0.512 9.947 467 HB3 LYS 57 1HB LYS 57 2.428 1.097 8.562 468 HG2 LYS 57 2HG LYS 57 1.159 -0.748 8.451 469 HG3 LYS 57 1HG LYS 57 2.504 -1.823 8.838 470 HD2 LYS 57 2HD LYS 57 2.123 -0.458 11.192 471 HD3 LYS 57 1HD LYS 57 0.477 -0.644 10.581 472 HE2 LYS 57 2HE LYS 57 0.479 -2.877 10.884 473 HE3 LYS 57 1HE LYS 57 2.163 -3.046 10.392 474 HZ1 LYS 57 3HZ LYS 57 2.427 -1.771 12.723 475 HZ2 LYS 57 1HZ LYS 57 2.464 -3.456 12.564 476 HZ3 LYS 57 2HZ LYS 57 1.036 -2.682 13.036 477 H GLY 58 H GLY 58 3.183 0.580 5.801 478 HA2 GLY 58 2HA GLY 58 4.182 3.288 5.749 479 HA3 GLY 58 1HA GLY 58 4.990 2.216 4.615 480 H ILE 59 H ILE 59 3.957 4.060 3.258 481 HA ILE 59 HA ILE 59 1.316 3.114 2.354 482 HB ILE 59 HB ILE 59 1.192 5.605 1.462 483 HG12 ILE 59 2HG1 ILE 59 2.990 5.778 3.888 484 HG13 ILE 59 1HG1 ILE 59 3.340 6.355 2.264 485 HG21 ILE 59 1HG2 ILE 59 -0.073 6.184 3.515 486 HG22 ILE 59 2HG2 ILE 59 0.565 4.726 4.275 487 HG23 ILE 59 3HG2 ILE 59 -0.480 4.597 2.861 488 HD11 ILE 59 3HD1 ILE 59 1.715 7.570 4.404 489 HD12 ILE 59 1HD1 ILE 59 1.143 7.782 2.749 490 HD13 ILE 59 2HD1 ILE 59 2.760 8.322 3.198 491 H PHE 60 H PHE 60 0.861 3.348 0.095 492 HA PHE 60 HA PHE 60 3.092 3.937 -1.672 493 HB2 PHE 60 2HB PHE 60 2.808 1.757 -2.873 494 HB3 PHE 60 1HB PHE 60 3.485 1.603 -1.256 495 HD1 PHE 60 2HD PHE 60 0.156 1.578 -2.946 496 HD2 PHE 60 1HD PHE 60 2.646 -0.045 0.100 497 HE1 PHE 60 2HE PHE 60 -1.612 -0.027 -2.361 498 HE2 PHE 60 1HE PHE 60 0.880 -1.658 0.686 499 HZ PHE 60 HZ PHE 60 -1.253 -1.647 -0.550 500 HA PRO 61 HA PRO 61 -0.182 5.418 -4.244 501 HB2 PRO 61 2HB PRO 61 1.401 4.892 -6.636 502 HB3 PRO 61 1HB PRO 61 0.984 6.438 -5.895 503 HG2 PRO 61 2HG PRO 61 3.506 5.437 -5.898 504 HG3 PRO 61 1HG PRO 61 2.884 6.484 -4.611 505 HD2 PRO 61 2HD PRO 61 3.207 3.507 -4.645 506 HD3 PRO 61 1HD PRO 61 3.535 4.663 -3.336 507 H ALA 62 H ALA 62 -1.894 4.674 -5.391 508 HA ALA 62 HA ALA 62 -2.225 1.866 -5.710 509 HB1 ALA 62 1HB ALA 62 -3.958 3.798 -5.265 510 HB2 ALA 62 2HB ALA 62 -4.430 2.319 -6.102 511 HB3 ALA 62 3HB ALA 62 -4.081 3.780 -7.023 512 H SER 63 H SER 63 -0.762 4.168 -7.684 513 HA SER 63 HA SER 63 -1.530 3.558 -10.254 514 HB2 SER 63 2HB SER 63 0.624 4.400 -10.974 515 HB3 SER 63 1HB SER 63 0.051 5.366 -9.616 516 HG SER 63 HG SER 63 1.382 3.821 -8.317 517 H TYR 64 H TYR 64 0.255 1.546 -8.060 518 HA TYR 64 HA TYR 64 0.451 -0.466 -10.182 519 HB2 TYR 64 2HB TYR 64 2.716 -1.105 -9.422 520 HB3 TYR 64 1HB TYR 64 2.657 0.530 -10.078 521 HD1 TYR 64 2HD TYR 64 3.113 -1.486 -7.050 522 HD2 TYR 64 1HD TYR 64 2.988 2.459 -8.640 523 HE1 TYR 64 2HE TYR 64 4.140 -0.629 -4.988 524 HE2 TYR 64 1HE TYR 64 4.019 3.325 -6.584 525 HH TYR 64 HH TYR 64 5.565 2.288 -4.721 526 H ILE 65 H ILE 65 -1.504 -0.389 -8.180 527 HA ILE 65 HA ILE 65 -0.663 -2.646 -6.476 528 HB ILE 65 HB ILE 65 -2.900 -0.740 -5.808 529 HG12 ILE 65 2HG1 ILE 65 -0.797 0.511 -5.852 530 HG13 ILE 65 1HG1 ILE 65 -1.346 0.290 -4.193 531 HG21 ILE 65 1HG2 ILE 65 -2.493 -3.209 -4.864 532 HG22 ILE 65 2HG2 ILE 65 -3.155 -1.903 -3.880 533 HG23 ILE 65 3HG2 ILE 65 -1.442 -2.309 -3.769 534 HD11 ILE 65 3HD1 ILE 65 1.072 -0.023 -4.453 535 HD12 ILE 65 1HD1 ILE 65 0.764 -1.371 -5.547 536 HD13 ILE 65 2HD1 ILE 65 0.263 -1.473 -3.860 537 H HIS 66 H HIS 66 -1.748 -4.496 -6.653 538 HA HIS 66 HA HIS 66 -4.425 -4.501 -7.835 539 HB2 HIS 66 2HB HIS 66 -2.547 -4.942 -9.564 540 HB3 HIS 66 1HB HIS 66 -2.381 -6.502 -8.766 541 HD1 HIS 66 1HD HIS 66 -3.578 -5.634 -11.738 542 HD2 HIS 66 2HD HIS 66 -5.576 -7.208 -8.452 543 HE1 HIS 66 1HE HIS 66 -5.653 -6.709 -12.665 544 HE2 HIS 66 2HE HIS 66 -6.801 -7.732 -10.669 545 H LEU 67 H LEU 67 -5.676 -5.483 -6.398 546 HA LEU 67 HA LEU 67 -4.750 -7.088 -4.289 547 HB2 LEU 67 2HB LEU 67 -7.450 -6.559 -5.472 548 HB3 LEU 67 1HB LEU 67 -7.263 -7.776 -4.223 549 HG LEU 67 HG LEU 67 -6.412 -6.105 -2.672 550 HD11 LEU 67 1HD1 LEU 67 -6.656 -4.269 -5.038 551 HD12 LEU 67 2HD1 LEU 67 -5.236 -4.597 -4.045 552 HD13 LEU 67 3HD1 LEU 67 -6.586 -3.679 -3.377 553 HD21 LEU 67 3HD2 LEU 67 -8.548 -4.502 -2.931 554 HD22 LEU 67 1HD2 LEU 67 -8.640 -6.144 -2.294 555 HD23 LEU 67 2HD2 LEU 67 -9.042 -5.829 -3.982 556 H LYS 68 H LYS 68 -4.777 -9.292 -3.931 557 HA LYS 68 HA LYS 68 -5.350 -11.002 -6.255 558 HB2 LYS 68 2HB LYS 68 -2.809 -10.605 -4.868 559 HB3 LYS 68 1HB LYS 68 -3.280 -12.297 -4.959 560 HG2 LYS 68 2HG LYS 68 -3.729 -11.148 -7.506 561 HG3 LYS 68 1HG LYS 68 -2.124 -10.653 -6.966 562 HD2 LYS 68 2HD LYS 68 -2.229 -13.323 -6.282 563 HD3 LYS 68 1HD LYS 68 -3.088 -13.267 -7.822 564 HE2 LYS 68 2HE LYS 68 -1.233 -12.699 -8.991 565 HE3 LYS 68 1HE LYS 68 -0.569 -11.734 -7.671 566 HZ1 LYS 68 3HZ LYS 68 -0.192 -14.544 -8.284 567 HZ2 LYS 68 1HZ LYS 68 -0.400 -14.186 -6.643 568 HZ3 LYS 68 2HZ LYS 68 0.849 -13.452 -7.517 569 H GLU 69 H GLU 69 -5.438 -13.371 -5.586 570 HA GLU 69 HA GLU 69 -7.389 -13.656 -3.551 571 HB2 GLU 69 2HB GLU 69 -6.679 -15.135 -5.711 572 HB3 GLU 69 1HB GLU 69 -5.950 -16.084 -4.423 573 HG2 GLU 69 2HG GLU 69 -8.277 -15.874 -3.298 574 HG3 GLU 69 1HG GLU 69 -8.827 -15.474 -4.926 575 H ALA 70 H ALA 70 -6.618 -13.031 -1.567 576 HA ALA 70 HA ALA 70 -4.124 -13.887 -0.502 577 HB1 ALA 70 1HB ALA 70 -5.896 -11.938 0.153 578 HB2 ALA 70 2HB ALA 70 -4.575 -12.478 1.190 579 HB3 ALA 70 3HB ALA 70 -6.200 -13.120 1.427 580 H ILE 71 H ILE 71 -3.669 -15.913 0.038 581 HA ILE 71 HA ILE 71 -5.573 -17.946 0.426 582 HB ILE 71 HB ILE 71 -3.635 -19.241 1.409 583 HG12 ILE 71 2HG1 ILE 71 -1.729 -17.222 0.415 584 HG13 ILE 71 1HG1 ILE 71 -2.565 -16.777 1.901 585 HG21 ILE 71 1HG2 ILE 71 -2.500 -19.464 -0.728 586 HG22 ILE 71 2HG2 ILE 71 -3.187 -17.934 -1.271 587 HG23 ILE 71 3HG2 ILE 71 -4.240 -19.316 -0.964 588 HD11 ILE 71 3HD1 ILE 71 -0.911 -19.246 1.438 589 HD12 ILE 71 1HD1 ILE 71 -1.819 -18.900 2.909 590 HD13 ILE 71 2HD1 ILE 71 -0.486 -17.850 2.430 591 H VAL 72 H VAL 72 -6.520 -18.799 2.209 592 HA VAL 72 HA VAL 72 -5.995 -17.437 4.771 593 HB VAL 72 HB VAL 72 -8.579 -18.763 3.941 594 HG11 VAL 72 1HG1 VAL 72 -9.500 -17.996 5.920 595 HG12 VAL 72 2HG1 VAL 72 -8.253 -16.768 6.146 596 HG13 VAL 72 3HG1 VAL 72 -7.876 -18.470 6.421 597 HG21 VAL 72 3HG2 VAL 72 -9.335 -16.849 3.037 598 HG22 VAL 72 1HG2 VAL 72 -7.626 -16.453 2.860 599 HG23 VAL 72 2HG2 VAL 72 -8.532 -15.846 4.245 600 H GLU 73 H GLU 73 -4.371 -18.959 5.337 601 HA GLU 73 HA GLU 73 -3.568 -20.816 6.374 602 HB2 GLU 73 2HB GLU 73 -5.393 -20.364 7.955 603 HB3 GLU 73 1HB GLU 73 -6.490 -21.317 6.968 604 HG2 GLU 73 2HG GLU 73 -5.416 -23.325 7.508 605 HG3 GLU 73 1HG GLU 73 -3.988 -22.492 8.122 606 H GLY 74 H GLY 74 -2.710 -21.994 4.727 607 HA2 GLY 74 2HA GLY 74 -4.453 -24.096 3.601 608 HA3 GLY 74 1HA GLY 74 -3.327 -23.206 2.587 Start of MODEL 19 1 H1 MET 1 1HT MET 1 -14.567 8.360 13.801 2 H2 MET 1 2HT MET 1 -15.047 7.685 15.304 3 H3 MET 1 3HT MET 1 -15.284 6.803 13.852 4 HA MET 1 HA MET 1 -12.799 7.406 15.277 5 HB2 MET 1 2HB MET 1 -14.109 4.904 14.195 6 HB3 MET 1 1HB MET 1 -12.539 4.946 14.986 7 HG2 MET 1 2HG MET 1 -13.483 5.523 17.061 8 HG3 MET 1 1HG MET 1 -15.036 5.923 16.330 9 HE1 MET 1 2HE MET 1 -16.018 4.567 18.346 10 HE2 MET 1 3HE MET 1 -16.611 2.954 17.948 11 HE3 MET 1 1HE MET 1 -16.999 4.319 16.902 12 H THR 2 H THR 2 -13.981 5.961 12.232 13 HA THR 2 HA THR 2 -11.496 5.891 10.944 14 HB THR 2 HB THR 2 -12.969 5.912 8.820 15 HG1 THR 2 1HG THR 2 -14.747 6.933 10.032 16 HG21 THR 2 3HG2 THR 2 -14.027 3.757 10.501 17 HG22 THR 2 1HG2 THR 2 -12.268 3.880 10.446 18 HG23 THR 2 2HG2 THR 2 -13.185 3.689 8.952 19 H ARG 3 H ARG 3 -10.458 7.277 9.542 20 HA ARG 3 HA ARG 3 -11.632 9.900 9.035 21 HB2 ARG 3 2HB ARG 3 -9.349 10.911 9.687 22 HB3 ARG 3 1HB ARG 3 -10.478 10.497 10.968 23 HG2 ARG 3 2HG ARG 3 -8.883 8.214 10.484 24 HG3 ARG 3 1HG ARG 3 -7.804 9.606 10.579 25 HD2 ARG 3 2HD ARG 3 -9.814 9.737 12.638 26 HD3 ARG 3 1HD ARG 3 -8.962 8.195 12.702 27 HE ARG 3 HE ARG 3 -7.077 9.297 13.392 28 HH11 ARG 3 1HH1 ARG 3 -9.361 11.627 12.150 29 HH12 ARG 3 2HH1 ARG 3 -8.445 12.995 12.682 30 HH21 ARG 3 1HH2 ARG 3 -5.872 11.098 14.094 31 HH22 ARG 3 2HH2 ARG 3 -6.465 12.695 13.786 32 H TRP 4 H TRP 4 -8.807 7.794 8.560 33 HA TRP 4 HA TRP 4 -8.667 8.776 5.786 34 HB2 TRP 4 2HB TRP 4 -6.742 9.437 7.352 35 HB3 TRP 4 1HB TRP 4 -6.284 7.739 7.313 36 HD1 TRP 4 HD TRP 4 -6.699 10.723 4.907 37 HE1 TRP 4 1HE TRP 4 -5.117 10.379 2.907 38 HE3 TRP 4 3HE TRP 4 -4.957 6.095 6.076 39 HZ2 TRP 4 2HZ TRP 4 -3.350 8.384 1.953 40 HZ3 TRP 4 3HZ TRP 4 -3.322 5.018 4.578 41 HH2 TRP 4 HH TRP 4 -2.536 6.146 2.554 42 H VAL 5 H VAL 5 -10.104 6.449 6.983 43 HA VAL 5 HA VAL 5 -8.840 4.380 5.313 44 HB VAL 5 HB VAL 5 -8.421 3.827 7.656 45 HG11 VAL 5 1HG1 VAL 5 -11.304 3.380 8.202 46 HG12 VAL 5 2HG1 VAL 5 -10.686 5.028 8.302 47 HG13 VAL 5 3HG1 VAL 5 -9.985 3.761 9.310 48 HG21 VAL 5 3HG2 VAL 5 -8.824 1.616 7.386 49 HG22 VAL 5 1HG2 VAL 5 -9.280 2.138 5.764 50 HG23 VAL 5 2HG2 VAL 5 -10.523 1.862 6.985 51 HA PRO 6 HA PRO 6 -13.201 4.600 3.989 52 HB2 PRO 6 2HB PRO 6 -12.790 5.071 1.405 53 HB3 PRO 6 1HB PRO 6 -12.558 6.355 2.599 54 HG2 PRO 6 2HG PRO 6 -10.532 4.741 1.136 55 HG3 PRO 6 1HG PRO 6 -10.452 6.426 1.672 56 HD2 PRO 6 2HD PRO 6 -9.349 4.167 2.981 57 HD3 PRO 6 1HD PRO 6 -9.462 5.816 3.619 58 H THR 7 H THR 7 -10.539 2.586 3.176 59 HA THR 7 HA THR 7 -11.775 0.885 1.284 60 HB THR 7 HB THR 7 -9.415 0.801 1.374 61 HG1 THR 7 1HG THR 7 -9.264 -1.291 1.302 62 HG21 THR 7 3HG2 THR 7 -8.361 1.320 3.249 63 HG22 THR 7 1HG2 THR 7 -8.643 -0.340 3.769 64 HG23 THR 7 2HG2 THR 7 -9.771 0.933 4.234 65 H LYS 8 H LYS 8 -13.794 0.235 1.966 66 HA LYS 8 HA LYS 8 -14.240 -0.928 4.544 67 HB2 LYS 8 2HB LYS 8 -16.464 -1.567 3.548 68 HB3 LYS 8 1HB LYS 8 -16.097 0.153 3.507 69 HG2 LYS 8 2HG LYS 8 -16.462 0.169 1.328 70 HG3 LYS 8 1HG LYS 8 -15.128 -0.964 1.099 71 HD2 LYS 8 2HD LYS 8 -16.854 -2.154 0.164 72 HD3 LYS 8 1HD LYS 8 -16.933 -2.731 1.829 73 HE2 LYS 8 2HE LYS 8 -18.925 -1.758 2.200 74 HE3 LYS 8 1HE LYS 8 -18.488 -0.300 1.310 75 HZ1 LYS 8 3HZ LYS 8 -19.365 -1.090 -0.588 76 HZ2 LYS 8 1HZ LYS 8 -20.281 -2.061 0.451 77 HZ3 LYS 8 2HZ LYS 8 -18.896 -2.688 -0.291 78 H ARG 9 H ARG 9 -12.600 -2.552 4.579 79 HA ARG 9 HA ARG 9 -11.936 -4.727 4.520 80 HB2 ARG 9 2HB ARG 9 -14.595 -4.977 4.451 81 HB3 ARG 9 1HB ARG 9 -14.237 -5.608 2.850 82 HG2 ARG 9 2HG ARG 9 -12.622 -6.678 5.076 83 HG3 ARG 9 1HG ARG 9 -14.327 -7.130 5.039 84 HD2 ARG 9 2HD ARG 9 -12.570 -7.370 2.617 85 HD3 ARG 9 1HD ARG 9 -12.664 -8.650 3.825 86 HE ARG 9 HE ARG 9 -15.261 -8.156 3.200 87 HH11 ARG 9 1HH1 ARG 9 -12.426 -8.939 1.323 88 HH12 ARG 9 2HH1 ARG 9 -13.317 -9.762 0.088 89 HH21 ARG 9 1HH2 ARG 9 -16.436 -9.237 1.576 90 HH22 ARG 9 2HH2 ARG 9 -15.595 -9.931 0.231 91 H GLU 10 H GLU 10 -13.680 -4.459 1.423 92 HA GLU 10 HA GLU 10 -13.000 -4.635 -0.734 93 HB2 GLU 10 2HB GLU 10 -11.463 -2.748 0.148 94 HB3 GLU 10 1HB GLU 10 -10.196 -3.966 0.114 95 HG2 GLU 10 2HG GLU 10 -9.863 -3.269 -1.975 96 HG3 GLU 10 1HG GLU 10 -11.277 -4.247 -2.361 97 H GLU 11 H GLU 11 -10.002 -5.659 0.903 98 HA GLU 11 HA GLU 11 -10.435 -8.430 0.421 99 HB2 GLU 11 2HB GLU 11 -9.848 -7.399 -1.882 100 HB3 GLU 11 1HB GLU 11 -8.216 -7.262 -1.239 101 HG2 GLU 11 2HG GLU 11 -7.816 -9.449 -1.452 102 HG3 GLU 11 1HG GLU 11 -9.424 -9.902 -0.887 103 H LYS 12 H LYS 12 -8.334 -9.689 0.833 104 HA LYS 12 HA LYS 12 -7.274 -8.824 3.311 105 HB2 LYS 12 2HB LYS 12 -7.294 -11.210 1.783 106 HB3 LYS 12 1HB LYS 12 -5.611 -10.840 2.127 107 HG2 LYS 12 2HG LYS 12 -5.905 -11.013 4.417 108 HG3 LYS 12 1HG LYS 12 -7.649 -10.771 4.311 109 HD2 LYS 12 2HD LYS 12 -8.038 -12.950 3.623 110 HD3 LYS 12 1HD LYS 12 -6.390 -13.165 3.034 111 HE2 LYS 12 2HE LYS 12 -6.418 -14.429 4.981 112 HE3 LYS 12 1HE LYS 12 -5.712 -12.902 5.510 113 HZ1 LYS 12 3HZ LYS 12 -8.251 -12.385 5.973 114 HZ2 LYS 12 1HZ LYS 12 -7.267 -13.156 7.114 115 HZ3 LYS 12 2HZ LYS 12 -8.310 -14.067 6.144 116 H TYR 13 H TYR 13 -5.284 -9.736 0.510 117 HA TYR 13 HA TYR 13 -3.852 -7.205 0.651 118 HB2 TYR 13 2HB TYR 13 -1.657 -8.620 0.622 119 HB3 TYR 13 1HB TYR 13 -2.451 -8.280 2.156 120 HD1 TYR 13 1HD TYR 13 -3.066 -10.843 -0.501 121 HD2 TYR 13 2HD TYR 13 -2.164 -10.065 3.584 122 HE1 TYR 13 1HE TYR 13 -3.174 -13.252 -0.023 123 HE2 TYR 13 2HE TYR 13 -2.267 -12.473 4.070 124 HH TYR 13 HH TYR 13 -1.949 -14.646 2.693 125 H GLY 14 H GLY 14 -2.024 -7.227 -1.065 126 HA2 GLY 14 2HA GLY 14 -2.713 -8.897 -3.371 127 HA3 GLY 14 1HA GLY 14 -2.846 -7.154 -3.556 128 H VAL 15 H VAL 15 -1.259 -7.294 -5.232 129 HA VAL 15 HA VAL 15 1.481 -7.565 -4.178 130 HB VAL 15 HB VAL 15 0.582 -8.211 -6.991 131 HG11 VAL 15 1HG1 VAL 15 3.264 -8.263 -5.634 132 HG12 VAL 15 2HG1 VAL 15 2.800 -7.440 -7.123 133 HG13 VAL 15 3HG1 VAL 15 2.926 -9.199 -7.090 134 HG21 VAL 15 3HG2 VAL 15 1.448 -10.542 -6.178 135 HG22 VAL 15 1HG2 VAL 15 -0.196 -10.023 -5.810 136 HG23 VAL 15 2HG2 VAL 15 1.063 -9.901 -4.582 137 H ALA 16 H ALA 16 3.075 -6.193 -5.130 138 HA ALA 16 HA ALA 16 1.987 -3.834 -6.517 139 HB1 ALA 16 1HB ALA 16 2.391 -2.649 -4.671 140 HB2 ALA 16 2HB ALA 16 4.106 -2.869 -5.019 141 HB3 ALA 16 3HB ALA 16 3.279 -3.976 -3.922 142 H PHE 17 H PHE 17 2.933 -3.631 -8.443 143 HA PHE 17 HA PHE 17 5.677 -4.636 -8.762 144 HB2 PHE 17 2HB PHE 17 5.163 -4.710 -11.200 145 HB3 PHE 17 1HB PHE 17 4.140 -5.767 -10.234 146 HD1 PHE 17 2HD PHE 17 1.799 -5.023 -9.694 147 HD2 PHE 17 1HD PHE 17 4.242 -3.039 -12.557 148 HE1 PHE 17 2HE PHE 17 -0.204 -3.985 -10.679 149 HE2 PHE 17 1HE PHE 17 2.245 -1.998 -13.548 150 HZ PHE 17 HZ PHE 17 0.018 -2.471 -12.608 151 H TYR 18 H TYR 18 6.819 -2.844 -8.108 152 HA TYR 18 HA TYR 18 7.092 -0.762 -10.064 153 HB2 TYR 18 2HB TYR 18 5.197 -0.250 -8.168 154 HB3 TYR 18 1HB TYR 18 6.628 0.452 -7.425 155 HD1 TYR 18 2HD TYR 18 4.562 0.506 -10.508 156 HD2 TYR 18 1HD TYR 18 7.444 2.541 -8.131 157 HE1 TYR 18 2HE TYR 18 4.301 2.507 -11.915 158 HE2 TYR 18 1HE TYR 18 7.190 4.547 -9.529 159 HH TYR 18 HH TYR 18 6.138 4.687 -12.373 160 H ASN 19 H ASN 19 8.728 0.930 -9.222 161 HA ASN 19 HA ASN 19 10.774 -0.455 -7.616 162 HB2 ASN 19 2HB ASN 19 11.222 1.430 -9.943 163 HB3 ASN 19 1HB ASN 19 12.482 0.664 -8.981 164 HD21 ASN 19 1HD2 ASN 19 11.847 -1.861 -8.762 165 HD22 ASN 19 2HD2 ASN 19 11.663 -2.627 -10.300 166 H TYR 20 H TYR 20 9.273 0.829 -6.029 167 HA TYR 20 HA TYR 20 10.127 3.617 -5.791 168 HB2 TYR 20 2HB TYR 20 7.708 3.076 -5.634 169 HB3 TYR 20 1HB TYR 20 8.042 2.106 -4.205 170 HD1 TYR 20 1HD TYR 20 9.705 5.326 -4.897 171 HD2 TYR 20 2HD TYR 20 6.633 3.343 -2.722 172 HE1 TYR 20 1HE TYR 20 9.422 7.321 -3.487 173 HE2 TYR 20 2HE TYR 20 6.340 5.332 -1.308 174 HH TYR 20 HH TYR 20 6.770 7.697 -1.342 175 H ASP 21 H ASP 21 11.445 4.338 -4.218 176 HA ASP 21 HA ASP 21 12.330 2.391 -2.191 177 HB2 ASP 21 2HB ASP 21 14.527 3.579 -2.235 178 HB3 ASP 21 1HB ASP 21 14.129 2.780 -3.753 179 H ALA 22 H ALA 22 11.663 2.932 -0.232 180 HA ALA 22 HA ALA 22 10.702 5.540 0.410 181 HB1 ALA 22 1HB ALA 22 9.572 3.942 1.598 182 HB2 ALA 22 2HB ALA 22 10.756 4.454 2.803 183 HB3 ALA 22 3HB ALA 22 11.017 2.972 1.883 184 H ARG 23 H ARG 23 11.481 6.859 2.194 185 HA ARG 23 HA ARG 23 14.420 6.867 2.310 186 HB2 ARG 23 2HB ARG 23 13.071 8.861 1.372 187 HB3 ARG 23 1HB ARG 23 12.661 9.191 3.049 188 HG2 ARG 23 2HG ARG 23 14.959 9.520 3.619 189 HG3 ARG 23 1HG ARG 23 15.481 8.971 2.024 190 HD2 ARG 23 2HD ARG 23 15.104 10.972 1.091 191 HD3 ARG 23 1HD ARG 23 13.567 11.175 1.931 192 HE ARG 23 HE ARG 23 16.124 12.210 2.722 193 HH11 ARG 23 1HH1 ARG 23 12.974 11.225 3.856 194 HH12 ARG 23 2HH1 ARG 23 13.037 12.214 5.275 195 HH21 ARG 23 1HH2 ARG 23 16.210 13.510 4.590 196 HH22 ARG 23 2HH2 ARG 23 14.873 13.513 5.693 197 H GLY 24 H GLY 24 11.510 6.763 4.217 198 HA2 GLY 24 2HA GLY 24 13.089 6.092 6.565 199 HA3 GLY 24 1HA GLY 24 12.097 7.537 6.704 200 H ALA 25 H ALA 25 11.068 6.353 8.468 201 HA ALA 25 HA ALA 25 9.580 3.981 7.975 202 HB1 ALA 25 1HB ALA 25 9.551 6.009 10.188 203 HB2 ALA 25 2HB ALA 25 10.174 4.359 10.212 204 HB3 ALA 25 3HB ALA 25 8.434 4.645 10.156 205 H ASP 26 H ASP 26 8.924 7.375 7.586 206 HA ASP 26 HA ASP 26 6.140 7.385 7.602 207 HB2 ASP 26 2HB ASP 26 8.249 9.097 6.398 208 HB3 ASP 26 1HB ASP 26 6.614 9.284 5.772 209 H GLU 27 H GLU 27 8.403 6.451 5.083 210 HA GLU 27 HA GLU 27 6.119 5.711 3.374 211 HB2 GLU 27 2HB GLU 27 8.732 6.936 2.788 212 HB3 GLU 27 1HB GLU 27 8.275 5.632 1.699 213 HG2 GLU 27 2HG GLU 27 6.982 7.025 0.579 214 HG3 GLU 27 1HG GLU 27 6.008 7.281 2.025 215 H LEU 28 H LEU 28 7.098 3.947 1.679 216 HA LEU 28 HA LEU 28 8.557 1.899 3.173 217 HB2 LEU 28 2HB LEU 28 5.741 1.848 2.732 218 HB3 LEU 28 1HB LEU 28 6.466 0.587 1.756 219 HG LEU 28 HG LEU 28 7.005 0.884 4.706 220 HD11 LEU 28 1HD1 LEU 28 5.220 -0.407 5.244 221 HD12 LEU 28 2HD1 LEU 28 5.213 -1.243 3.691 222 HD13 LEU 28 3HD1 LEU 28 4.547 0.384 3.817 223 HD21 LEU 28 3HD2 LEU 28 7.434 -1.666 4.230 224 HD22 LEU 28 1HD2 LEU 28 8.682 -0.460 3.916 225 HD23 LEU 28 2HD2 LEU 28 7.707 -1.086 2.587 226 H SER 29 H SER 29 9.928 0.744 1.938 227 HA SER 29 HA SER 29 10.288 1.516 -0.803 228 HB2 SER 29 2HB SER 29 12.028 0.707 1.072 229 HB3 SER 29 1HB SER 29 11.732 -0.846 0.290 230 HG SER 29 HG SER 29 13.402 0.095 -0.800 231 H LEU 30 H LEU 30 8.973 0.750 -2.331 232 HA LEU 30 HA LEU 30 7.983 -2.001 -2.095 233 HB2 LEU 30 2HB LEU 30 6.755 0.424 -2.847 234 HB3 LEU 30 1HB LEU 30 6.833 -0.557 -4.297 235 HG LEU 30 HG LEU 30 4.729 -0.974 -3.260 236 HD11 LEU 30 1HD1 LEU 30 5.919 -2.926 -4.190 237 HD12 LEU 30 2HD1 LEU 30 4.816 -3.352 -2.883 238 HD13 LEU 30 3HD1 LEU 30 6.550 -3.277 -2.582 239 HD21 LEU 30 3HD2 LEU 30 4.963 -2.112 -0.858 240 HD22 LEU 30 1HD2 LEU 30 4.738 -0.376 -1.072 241 HD23 LEU 30 2HD2 LEU 30 6.352 -1.026 -0.786 242 H GLN 31 H GLN 31 8.438 -3.545 -3.555 243 HA GLN 31 HA GLN 31 9.989 -2.796 -5.937 244 HB2 GLN 31 2HB GLN 31 10.595 -5.194 -4.203 245 HB3 GLN 31 1HB GLN 31 11.508 -4.640 -5.601 246 HG2 GLN 31 2HG GLN 31 12.593 -3.053 -4.433 247 HG3 GLN 31 1HG GLN 31 11.194 -2.682 -3.426 248 HE21 GLN 31 1HE2 GLN 31 11.266 -3.318 -1.392 249 HE22 GLN 31 2HE2 GLN 31 12.327 -4.514 -0.738 250 H ILE 32 H ILE 32 9.865 -4.309 -7.692 251 HA ILE 32 HA ILE 32 7.270 -5.365 -8.070 252 HB ILE 32 HB ILE 32 9.742 -5.951 -9.703 253 HG12 ILE 32 2HG1 ILE 32 7.705 -3.883 -10.434 254 HG13 ILE 32 1HG1 ILE 32 8.950 -3.475 -9.260 255 HG21 ILE 32 1HG2 ILE 32 8.268 -6.536 -11.474 256 HG22 ILE 32 2HG2 ILE 32 6.859 -5.979 -10.569 257 HG23 ILE 32 3HG2 ILE 32 7.731 -7.418 -10.043 258 HD11 ILE 32 3HD1 ILE 32 9.733 -2.755 -11.361 259 HD12 ILE 32 1HD1 ILE 32 9.307 -4.286 -12.125 260 HD13 ILE 32 2HD1 ILE 32 10.638 -4.217 -10.970 261 H GLY 33 H GLY 33 6.449 -7.353 -7.814 262 HA2 GLY 33 2HA GLY 33 6.526 -9.711 -7.665 263 HA3 GLY 33 1HA GLY 33 8.249 -9.610 -7.340 264 H ASP 34 H ASP 34 6.962 -7.306 -5.429 265 HA ASP 34 HA ASP 34 6.980 -9.080 -3.111 266 HB2 ASP 34 2HB ASP 34 7.246 -6.101 -3.459 267 HB3 ASP 34 1HB ASP 34 6.954 -6.818 -1.877 268 H THR 35 H THR 35 5.294 -9.257 -1.667 269 HA THR 35 HA THR 35 2.687 -8.427 -2.686 270 HB THR 35 HB THR 35 3.357 -10.255 -0.372 271 HG1 THR 35 1HG THR 35 2.627 -10.869 -3.043 272 HG21 THR 35 3HG2 THR 35 0.978 -9.099 -0.735 273 HG22 THR 35 1HG2 THR 35 1.175 -10.736 -0.110 274 HG23 THR 35 2HG2 THR 35 0.799 -10.482 -1.813 275 H VAL 36 H VAL 36 1.382 -6.977 -1.683 276 HA VAL 36 HA VAL 36 2.385 -5.786 0.820 277 HB VAL 36 HB VAL 36 1.301 -3.653 0.038 278 HG11 VAL 36 1HG1 VAL 36 3.162 -3.318 -1.792 279 HG12 VAL 36 2HG1 VAL 36 3.711 -4.886 -1.198 280 HG13 VAL 36 3HG1 VAL 36 3.582 -3.519 -0.092 281 HG21 VAL 36 3HG2 VAL 36 0.523 -3.367 -2.109 282 HG22 VAL 36 1HG2 VAL 36 0.005 -5.021 -1.775 283 HG23 VAL 36 2HG2 VAL 36 1.451 -4.727 -2.742 284 H HIS 37 H HIS 37 0.972 -5.460 2.448 285 HA HIS 37 HA HIS 37 -1.767 -6.431 2.046 286 HB2 HIS 37 2HB HIS 37 -0.188 -7.394 3.845 287 HB3 HIS 37 1HB HIS 37 -0.472 -5.890 4.713 288 HD1 HIS 37 1HD HIS 37 -3.563 -5.737 3.938 289 HD2 HIS 37 2HD HIS 37 -1.591 -8.988 5.617 290 HE1 HIS 37 1HE HIS 37 -5.346 -7.081 5.094 291 HE2 HIS 37 2HE HIS 37 -4.121 -9.010 6.156 292 H ILE 38 H ILE 38 -3.116 -4.828 1.542 293 HA ILE 38 HA ILE 38 -2.694 -2.113 2.218 294 HB ILE 38 HB ILE 38 -5.258 -3.432 1.320 295 HG12 ILE 38 2HG1 ILE 38 -3.779 -1.889 -0.660 296 HG13 ILE 38 1HG1 ILE 38 -2.839 -3.246 -0.048 297 HG21 ILE 38 1HG2 ILE 38 -4.408 -0.547 1.107 298 HG22 ILE 38 2HG2 ILE 38 -5.519 -1.180 2.322 299 HG23 ILE 38 3HG2 ILE 38 -5.954 -1.239 0.613 300 HD11 ILE 38 3HD1 ILE 38 -4.799 -3.287 -2.027 301 HD12 ILE 38 1HD1 ILE 38 -5.523 -4.076 -0.627 302 HD13 ILE 38 2HD1 ILE 38 -3.996 -4.667 -1.280 303 H LEU 39 H LEU 39 -3.497 -0.852 3.808 304 HA LEU 39 HA LEU 39 -5.171 -2.142 5.861 305 HB2 LEU 39 2HB LEU 39 -2.851 -1.875 6.627 306 HB3 LEU 39 1HB LEU 39 -2.929 -0.159 6.278 307 HG LEU 39 HG LEU 39 -3.176 -0.870 8.713 308 HD11 LEU 39 1HD1 LEU 39 -4.071 1.292 7.376 309 HD12 LEU 39 2HD1 LEU 39 -4.221 1.079 9.120 310 HD13 LEU 39 3HD1 LEU 39 -5.580 0.694 8.066 311 HD21 LEU 39 3HD2 LEU 39 -6.010 -1.471 7.914 312 HD22 LEU 39 1HD2 LEU 39 -5.237 -1.710 9.481 313 HD23 LEU 39 2HD2 LEU 39 -4.792 -2.732 8.114 314 H GLU 40 H GLU 40 -4.162 0.930 4.417 315 HA GLU 40 HA GLU 40 -6.869 1.975 4.887 316 HB2 GLU 40 2HB GLU 40 -4.295 3.082 5.809 317 HB3 GLU 40 1HB GLU 40 -5.357 4.241 5.025 318 HG2 GLU 40 2HG GLU 40 -6.736 4.323 6.767 319 HG3 GLU 40 1HG GLU 40 -6.739 2.571 6.964 320 H THR 41 H THR 41 -7.499 3.668 3.376 321 HA THR 41 HA THR 41 -5.820 3.864 0.988 322 HB THR 41 HB THR 41 -7.784 3.470 -0.470 323 HG1 THR 41 1HG THR 41 -9.056 2.620 1.911 324 HG21 THR 41 3HG2 THR 41 -7.424 1.131 1.376 325 HG22 THR 41 1HG2 THR 41 -6.249 1.593 0.145 326 HG23 THR 41 2HG2 THR 41 -7.879 1.114 -0.329 327 H TYR 42 H TYR 42 -6.964 5.435 -0.641 328 HA TYR 42 HA TYR 42 -8.696 7.434 0.262 329 HB2 TYR 42 2HB TYR 42 -6.793 7.926 1.808 330 HB3 TYR 42 1HB TYR 42 -5.792 8.268 0.403 331 HD1 TYR 42 1HD TYR 42 -9.268 9.226 1.411 332 HD2 TYR 42 2HD TYR 42 -5.406 10.527 0.186 333 HE1 TYR 42 1HE TYR 42 -10.054 11.556 1.426 334 HE2 TYR 42 2HE TYR 42 -6.181 12.859 0.200 335 HH TYR 42 HH TYR 42 -9.116 13.824 0.028 336 H GLU 43 H GLU 43 -8.197 5.928 -2.100 337 HA GLU 43 HA GLU 43 -8.211 6.178 -4.359 338 HB2 GLU 43 2HB GLU 43 -8.863 8.890 -3.360 339 HB3 GLU 43 1HB GLU 43 -8.324 8.792 -5.031 340 HG2 GLU 43 2HG GLU 43 -10.086 7.106 -5.451 341 HG3 GLU 43 1HG GLU 43 -10.662 7.351 -3.802 342 H GLY 44 H GLY 44 -6.229 5.483 -4.976 343 HA2 GLY 44 2HA GLY 44 -4.086 5.600 -5.800 344 HA3 GLY 44 1HA GLY 44 -4.377 7.317 -6.046 345 H TRP 45 H TRP 45 -4.531 5.684 -2.951 346 HA TRP 45 HA TRP 45 -1.919 6.276 -2.082 347 HB2 TRP 45 2HB TRP 45 -3.362 8.552 -2.252 348 HB3 TRP 45 1HB TRP 45 -3.803 8.043 -0.632 349 HD1 TRP 45 HD TRP 45 -2.559 10.399 0.034 350 HE1 TRP 45 1HE TRP 45 -0.101 10.848 0.624 351 HE3 TRP 45 3HE TRP 45 -0.416 6.201 -2.005 352 HZ2 TRP 45 2HZ TRP 45 2.398 9.617 0.282 353 HZ3 TRP 45 3HZ TRP 45 2.018 5.933 -1.824 354 HH2 TRP 45 HH TRP 45 3.395 7.603 -0.703 355 H TYR 46 H TYR 46 -2.092 4.169 -1.257 356 HA TYR 46 HA TYR 46 -3.935 3.887 1.026 357 HB2 TYR 46 2HB TYR 46 -2.865 1.517 -0.471 358 HB3 TYR 46 1HB TYR 46 -4.313 1.637 0.515 359 HD1 TYR 46 1HD TYR 46 -5.392 4.200 -0.797 360 HD2 TYR 46 2HD TYR 46 -3.855 0.576 -2.405 361 HE1 TYR 46 1HE TYR 46 -6.747 4.532 -2.819 362 HE2 TYR 46 2HE TYR 46 -5.204 0.897 -4.434 363 HH TYR 46 HH TYR 46 -6.469 2.381 -5.598 364 H ARG 47 H ARG 47 -3.209 2.882 2.885 365 HA ARG 47 HA ARG 47 -0.285 2.694 3.137 366 HB2 ARG 47 2HB ARG 47 -1.255 4.419 4.548 367 HB3 ARG 47 1HB ARG 47 -2.401 3.269 5.218 368 HG2 ARG 47 2HG ARG 47 0.301 2.334 5.567 369 HG3 ARG 47 1HG ARG 47 0.100 3.955 6.234 370 HD2 ARG 47 2HD ARG 47 -1.988 1.918 6.820 371 HD3 ARG 47 1HD ARG 47 -0.438 1.785 7.650 372 HE ARG 47 HE ARG 47 -2.497 3.645 8.206 373 HH11 ARG 47 1HH1 ARG 47 0.978 3.369 8.061 374 HH12 ARG 47 2HH1 ARG 47 1.251 4.615 9.230 375 HH21 ARG 47 1HH2 ARG 47 -2.140 5.286 9.746 376 HH22 ARG 47 2HH2 ARG 47 -0.518 5.703 10.188 377 H GLY 48 H GLY 48 0.649 0.856 3.928 378 HA2 GLY 48 2HA GLY 48 -0.756 -1.156 5.350 379 HA3 GLY 48 1HA GLY 48 -0.640 -1.588 3.652 380 H TYR 49 H TYR 49 0.497 -3.369 5.095 381 HA TYR 49 HA TYR 49 3.378 -2.743 5.050 382 HB2 TYR 49 2HB TYR 49 3.617 -4.468 6.865 383 HB3 TYR 49 1HB TYR 49 2.761 -3.008 7.350 384 HD1 TYR 49 2HD TYR 49 2.049 -6.419 5.996 385 HD2 TYR 49 1HD TYR 49 0.786 -3.239 8.524 386 HE1 TYR 49 2HE TYR 49 0.158 -7.790 6.766 387 HE2 TYR 49 1HE TYR 49 -1.108 -4.602 9.303 388 HH TYR 49 HH TYR 49 -1.778 -6.907 9.455 389 H THR 50 H THR 50 4.771 -4.332 4.272 390 HA THR 50 HA THR 50 3.608 -6.118 2.346 391 HB THR 50 HB THR 50 6.293 -6.747 2.447 392 HG1 THR 50 1HG THR 50 6.704 -5.140 3.971 393 HG21 THR 50 3HG2 THR 50 6.375 -4.689 0.735 394 HG22 THR 50 1HG2 THR 50 4.635 -4.958 0.807 395 HG23 THR 50 2HG2 THR 50 5.711 -6.273 0.334 396 H LEU 51 H LEU 51 4.146 -8.414 2.217 397 HA LEU 51 HA LEU 51 3.571 -9.754 4.655 398 HB2 LEU 51 2HB LEU 51 4.085 -10.539 1.841 399 HB3 LEU 51 1HB LEU 51 4.336 -11.774 3.061 400 HG LEU 51 HG LEU 51 2.077 -11.837 2.041 401 HD11 LEU 51 1HD1 LEU 51 1.658 -11.065 4.883 402 HD12 LEU 51 2HD1 LEU 51 2.728 -12.420 4.521 403 HD13 LEU 51 3HD1 LEU 51 1.048 -12.455 3.986 404 HD21 LEU 51 3HD2 LEU 51 0.603 -10.107 2.094 405 HD22 LEU 51 1HD2 LEU 51 2.103 -9.179 2.057 406 HD23 LEU 51 2HD2 LEU 51 1.266 -9.442 3.587 407 H ARG 52 H ARG 52 6.508 -9.214 2.798 408 HA ARG 52 HA ARG 52 8.188 -11.034 4.102 409 HB2 ARG 52 2HB ARG 52 8.681 -8.448 2.656 410 HB3 ARG 52 1HB ARG 52 10.003 -9.311 3.426 411 HG2 ARG 52 2HG ARG 52 8.476 -11.138 1.846 412 HG3 ARG 52 1HG ARG 52 8.908 -9.731 0.872 413 HD2 ARG 52 2HD ARG 52 11.013 -10.949 2.580 414 HD3 ARG 52 1HD ARG 52 10.524 -11.817 1.124 415 HE ARG 52 HE ARG 52 12.038 -9.378 1.266 416 HH11 ARG 52 1HH1 ARG 52 9.937 -11.329 -0.725 417 HH12 ARG 52 2HH1 ARG 52 10.517 -10.659 -2.212 418 HH21 ARG 52 1HH2 ARG 52 12.802 -8.496 -0.691 419 HH22 ARG 52 2HH2 ARG 52 12.143 -9.050 -2.193 420 H LYS 53 H LYS 53 7.094 -7.835 5.003 421 HA LYS 53 HA LYS 53 8.124 -8.247 7.686 422 HB2 LYS 53 2HB LYS 53 9.081 -5.886 7.683 423 HB3 LYS 53 1HB LYS 53 10.009 -7.114 6.834 424 HG2 LYS 53 2HG LYS 53 8.971 -6.334 4.709 425 HG3 LYS 53 1HG LYS 53 8.229 -5.015 5.617 426 HD2 LYS 53 2HD LYS 53 10.189 -3.898 5.860 427 HD3 LYS 53 1HD LYS 53 11.144 -5.379 5.958 428 HE2 LYS 53 2HE LYS 53 9.885 -4.904 3.350 429 HE3 LYS 53 1HE LYS 53 11.085 -3.697 3.816 430 HZ1 LYS 53 3HZ LYS 53 12.761 -5.169 3.645 431 HZ2 LYS 53 1HZ LYS 53 11.696 -5.984 2.612 432 HZ3 LYS 53 2HZ LYS 53 11.848 -6.470 4.224 433 H LYS 54 H LYS 54 6.001 -8.318 8.383 434 HA LYS 54 HA LYS 54 4.043 -6.387 7.697 435 HB2 LYS 54 2HB LYS 54 4.194 -8.279 10.051 436 HB3 LYS 54 1HB LYS 54 2.774 -7.339 9.613 437 HG2 LYS 54 2HG LYS 54 2.150 -8.839 8.105 438 HG3 LYS 54 1HG LYS 54 3.746 -8.842 7.353 439 HD2 LYS 54 2HD LYS 54 4.549 -10.456 8.957 440 HD3 LYS 54 1HD LYS 54 3.029 -10.375 9.851 441 HE2 LYS 54 2HE LYS 54 2.491 -12.184 8.629 442 HE3 LYS 54 1HE LYS 54 2.130 -10.999 7.376 443 HZ1 LYS 54 3HZ LYS 54 4.893 -11.894 7.539 444 HZ2 LYS 54 1HZ LYS 54 3.933 -11.580 6.181 445 HZ3 LYS 54 2HZ LYS 54 3.772 -13.045 7.010 446 H SER 55 H SER 55 6.519 -6.532 10.140 447 HA SER 55 HA SER 55 5.546 -4.671 11.974 448 HB2 SER 55 2HB SER 55 7.786 -6.174 11.835 449 HB3 SER 55 1HB SER 55 8.457 -4.597 11.419 450 HG SER 55 HG SER 55 6.849 -5.106 13.702 451 H LYS 56 H LYS 56 7.035 -4.224 8.849 452 HA LYS 56 HA LYS 56 7.384 -1.375 9.216 453 HB2 LYS 56 2HB LYS 56 8.857 -2.941 7.790 454 HB3 LYS 56 1HB LYS 56 7.574 -2.835 6.592 455 HG2 LYS 56 2HG LYS 56 8.805 -1.114 5.837 456 HG3 LYS 56 1HG LYS 56 7.943 -0.223 7.093 457 HD2 LYS 56 2HD LYS 56 10.405 -1.624 7.935 458 HD3 LYS 56 1HD LYS 56 10.621 -0.241 6.859 459 HE2 LYS 56 2HE LYS 56 8.897 -0.068 9.308 460 HE3 LYS 56 1HE LYS 56 10.640 0.177 9.394 461 HZ1 LYS 56 3HZ LYS 56 9.317 2.245 9.119 462 HZ2 LYS 56 1HZ LYS 56 8.856 1.704 7.582 463 HZ3 LYS 56 2HZ LYS 56 10.484 2.014 7.916 464 H LYS 57 H LYS 57 5.989 0.177 8.657 465 HA LYS 57 HA LYS 57 3.681 -0.553 6.981 466 HB2 LYS 57 2HB LYS 57 3.296 -0.293 9.552 467 HB3 LYS 57 1HB LYS 57 3.412 1.428 9.215 468 HG2 LYS 57 2HG LYS 57 1.245 1.383 8.753 469 HG3 LYS 57 1HG LYS 57 1.651 0.479 7.295 470 HD2 LYS 57 2HD LYS 57 0.582 -1.305 8.080 471 HD3 LYS 57 1HD LYS 57 1.622 -1.325 9.505 472 HE2 LYS 57 2HE LYS 57 0.141 0.271 10.613 473 HE3 LYS 57 1HE LYS 57 -0.894 0.308 9.187 474 HZ1 LYS 57 3HZ LYS 57 -0.390 -2.025 10.951 475 HZ2 LYS 57 1HZ LYS 57 -1.271 -2.094 9.507 476 HZ3 LYS 57 2HZ LYS 57 -1.836 -1.161 10.801 477 H GLY 58 H GLY 58 3.178 0.847 5.389 478 HA2 GLY 58 2HA GLY 58 4.024 3.612 5.494 479 HA3 GLY 58 1HA GLY 58 4.879 2.641 4.305 480 H ILE 59 H ILE 59 3.806 4.425 2.967 481 HA ILE 59 HA ILE 59 1.127 3.516 2.142 482 HB ILE 59 HB ILE 59 0.945 5.905 1.176 483 HG12 ILE 59 2HG1 ILE 59 3.141 6.270 3.228 484 HG13 ILE 59 1HG1 ILE 59 3.250 6.599 1.502 485 HG21 ILE 59 1HG2 ILE 59 -0.511 5.234 2.902 486 HG22 ILE 59 2HG2 ILE 59 0.194 6.760 3.438 487 HG23 ILE 59 3HG2 ILE 59 0.782 5.234 4.100 488 HD11 ILE 59 3HD1 ILE 59 1.203 8.202 2.125 489 HD12 ILE 59 1HD1 ILE 59 2.891 8.707 2.201 490 HD13 ILE 59 2HD1 ILE 59 2.054 8.197 3.669 491 H PHE 60 H PHE 60 0.618 3.649 -0.108 492 HA PHE 60 HA PHE 60 2.750 4.111 -2.006 493 HB2 PHE 60 2HB PHE 60 2.549 1.837 -3.011 494 HB3 PHE 60 1HB PHE 60 3.265 1.831 -1.403 495 HD1 PHE 60 1HD PHE 60 -0.080 1.512 -3.029 496 HD2 PHE 60 2HD PHE 60 2.518 0.274 0.106 497 HE1 PHE 60 1HE PHE 60 -1.758 -0.125 -2.288 498 HE2 PHE 60 2HE PHE 60 0.844 -1.369 0.849 499 HZ PHE 60 HZ PHE 60 -1.297 -1.569 -0.353 500 HA PRO 61 HA PRO 61 -0.795 5.175 -4.431 501 HB2 PRO 61 2HB PRO 61 0.309 5.352 -6.874 502 HB3 PRO 61 1HB PRO 61 0.696 6.507 -5.592 503 HG2 PRO 61 2HG PRO 61 2.259 4.144 -6.548 504 HG3 PRO 61 1HG PRO 61 2.833 5.761 -6.110 505 HD2 PRO 61 2HD PRO 61 2.973 3.584 -4.446 506 HD3 PRO 61 1HD PRO 61 2.900 5.263 -3.877 507 H ALA 62 H ALA 62 -2.406 4.194 -5.535 508 HA ALA 62 HA ALA 62 -2.314 1.384 -5.936 509 HB1 ALA 62 1HB ALA 62 -4.561 1.506 -6.189 510 HB2 ALA 62 2HB ALA 62 -4.481 2.947 -7.203 511 HB3 ALA 62 3HB ALA 62 -4.305 3.089 -5.454 512 H SER 63 H SER 63 -1.243 3.913 -7.881 513 HA SER 63 HA SER 63 -1.964 3.295 -10.450 514 HB2 SER 63 2HB SER 63 0.156 4.312 -11.160 515 HB3 SER 63 1HB SER 63 -0.585 5.236 -9.854 516 HG SER 63 HG SER 63 0.841 4.076 -8.415 517 H TYR 64 H TYR 64 0.107 1.435 -8.359 518 HA TYR 64 HA TYR 64 0.492 -0.464 -10.569 519 HB2 TYR 64 2HB TYR 64 2.764 -0.956 -9.762 520 HB3 TYR 64 1HB TYR 64 2.597 0.719 -10.275 521 HD1 TYR 64 2HD TYR 64 2.626 -1.452 -7.252 522 HD2 TYR 64 1HD TYR 64 3.168 2.464 -8.826 523 HE1 TYR 64 2HE TYR 64 3.495 -0.705 -5.078 524 HE2 TYR 64 1HE TYR 64 4.042 3.221 -6.655 525 HH TYR 64 HH TYR 64 5.043 2.326 -4.661 526 H ILE 65 H ILE 65 -1.280 -0.243 -8.059 527 HA ILE 65 HA ILE 65 -0.427 -2.653 -6.642 528 HB ILE 65 HB ILE 65 -2.766 -0.828 -6.066 529 HG12 ILE 65 2HG1 ILE 65 -0.645 0.323 -5.736 530 HG13 ILE 65 1HG1 ILE 65 -1.374 -0.042 -4.175 531 HG21 ILE 65 1HG2 ILE 65 -2.283 -2.102 -3.749 532 HG22 ILE 65 2HG2 ILE 65 -1.825 -3.366 -4.891 533 HG23 ILE 65 3HG2 ILE 65 -3.445 -2.670 -4.947 534 HD11 ILE 65 3HD1 ILE 65 0.128 -1.919 -3.890 535 HD12 ILE 65 1HD1 ILE 65 1.034 -0.436 -4.187 536 HD13 ILE 65 2HD1 ILE 65 0.830 -1.619 -5.480 537 H HIS 66 H HIS 66 -1.637 -4.527 -6.533 538 HA HIS 66 HA HIS 66 -4.091 -4.729 -8.088 539 HB2 HIS 66 2HB HIS 66 -2.309 -5.214 -9.714 540 HB3 HIS 66 1HB HIS 66 -1.676 -6.466 -8.650 541 HD1 HIS 66 1HD HIS 66 -4.342 -5.791 -11.140 542 HD2 HIS 66 2HD HIS 66 -3.233 -8.831 -8.535 543 HE1 HIS 66 1HE HIS 66 -5.666 -7.806 -11.855 544 HE2 HIS 66 2HE HIS 66 -5.045 -9.609 -10.209 545 H LEU 67 H LEU 67 -5.478 -5.642 -6.729 546 HA LEU 67 HA LEU 67 -4.815 -7.005 -4.391 547 HB2 LEU 67 2HB LEU 67 -7.326 -6.913 -6.039 548 HB3 LEU 67 1HB LEU 67 -7.232 -7.866 -4.570 549 HG LEU 67 HG LEU 67 -8.262 -5.767 -4.046 550 HD11 LEU 67 1HD1 LEU 67 -7.114 -5.382 -2.146 551 HD12 LEU 67 2HD1 LEU 67 -5.578 -5.173 -2.986 552 HD13 LEU 67 3HD1 LEU 67 -6.196 -6.794 -2.670 553 HD21 LEU 67 3HD2 LEU 67 -5.804 -4.390 -5.113 554 HD22 LEU 67 1HD2 LEU 67 -7.272 -3.636 -4.490 555 HD23 LEU 67 2HD2 LEU 67 -7.320 -4.542 -6.003 556 H LYS 68 H LYS 68 -4.643 -9.142 -3.834 557 HA LYS 68 HA LYS 68 -4.047 -10.968 -6.013 558 HB2 LYS 68 2HB LYS 68 -3.511 -10.900 -3.082 559 HB3 LYS 68 1HB LYS 68 -3.545 -12.469 -3.877 560 HG2 LYS 68 2HG LYS 68 -1.965 -10.969 -5.550 561 HG3 LYS 68 1HG LYS 68 -1.525 -10.376 -3.948 562 HD2 LYS 68 2HD LYS 68 -0.070 -12.148 -4.204 563 HD3 LYS 68 1HD LYS 68 -1.412 -12.914 -3.350 564 HE2 LYS 68 2HE LYS 68 -0.522 -14.215 -5.298 565 HE3 LYS 68 1HE LYS 68 -2.250 -13.871 -5.361 566 HZ1 LYS 68 3HZ LYS 68 -0.616 -13.447 -7.397 567 HZ2 LYS 68 1HZ LYS 68 -0.502 -11.935 -6.648 568 HZ3 LYS 68 2HZ LYS 68 -2.010 -12.525 -7.136 569 H GLU 69 H GLU 69 -4.663 -13.403 -5.237 570 HA GLU 69 HA GLU 69 -7.561 -13.428 -5.362 571 HB2 GLU 69 2HB GLU 69 -5.557 -15.013 -6.463 572 HB3 GLU 69 1HB GLU 69 -6.283 -16.038 -5.233 573 HG2 GLU 69 2HG GLU 69 -8.511 -15.129 -6.376 574 HG3 GLU 69 1HG GLU 69 -7.419 -14.998 -7.753 575 H ALA 70 H ALA 70 -8.276 -12.898 -3.322 576 HA ALA 70 HA ALA 70 -7.281 -13.890 -0.905 577 HB1 ALA 70 1HB ALA 70 -9.761 -12.542 -1.778 578 HB2 ALA 70 2HB ALA 70 -8.641 -12.134 -0.476 579 HB3 ALA 70 3HB ALA 70 -9.833 -13.413 -0.247 580 H ILE 71 H ILE 71 -7.159 -15.943 -0.306 581 HA ILE 71 HA ILE 71 -9.447 -17.709 -0.868 582 HB ILE 71 HB ILE 71 -7.699 -19.589 -0.864 583 HG12 ILE 71 2HG1 ILE 71 -5.508 -18.760 -1.873 584 HG13 ILE 71 1HG1 ILE 71 -5.969 -17.160 -1.312 585 HG21 ILE 71 1HG2 ILE 71 -8.665 -19.438 -2.899 586 HG22 ILE 71 2HG2 ILE 71 -7.085 -18.799 -3.354 587 HG23 ILE 71 3HG2 ILE 71 -8.416 -17.695 -3.009 588 HD11 ILE 71 3HD1 ILE 71 -5.375 -17.614 0.783 589 HD12 ILE 71 1HD1 ILE 71 -4.535 -19.008 0.104 590 HD13 ILE 71 2HD1 ILE 71 -6.162 -19.193 0.757 591 H VAL 72 H VAL 72 -9.751 -19.458 0.651 592 HA VAL 72 HA VAL 72 -9.320 -18.606 3.355 593 HB VAL 72 HB VAL 72 -11.415 -19.715 2.662 594 HG11 VAL 72 1HG1 VAL 72 -11.535 -22.018 2.123 595 HG12 VAL 72 2HG1 VAL 72 -9.840 -22.276 2.536 596 HG13 VAL 72 3HG1 VAL 72 -10.266 -21.334 1.107 597 HG21 VAL 72 3HG2 VAL 72 -11.361 -19.916 4.905 598 HG22 VAL 72 1HG2 VAL 72 -9.737 -20.604 4.913 599 HG23 VAL 72 2HG2 VAL 72 -11.127 -21.627 4.546 600 H GLU 73 H GLU 73 -7.580 -19.019 4.528 601 HA GLU 73 HA GLU 73 -5.720 -21.093 3.683 602 HB2 GLU 73 2HB GLU 73 -4.243 -20.106 5.443 603 HB3 GLU 73 1HB GLU 73 -4.729 -18.969 4.194 604 HG2 GLU 73 2HG GLU 73 -6.529 -19.004 6.484 605 HG3 GLU 73 1HG GLU 73 -4.875 -18.551 6.894 606 H GLY 74 H GLY 74 -5.065 -22.820 4.955 607 HA2 GLY 74 2HA GLY 74 -6.199 -23.216 7.589 608 HA3 GLY 74 1HA GLY 74 -6.850 -24.283 6.354 Start of MODEL 20 1 H1 MET 1 1HT MET 1 -13.011 17.624 7.941 2 H2 MET 1 2HT MET 1 -12.465 17.772 6.322 3 H3 MET 1 3HT MET 1 -12.011 18.942 7.494 4 HA MET 1 HA MET 1 -10.164 17.642 7.255 5 HB2 MET 1 2HB MET 1 -11.301 17.962 9.611 6 HB3 MET 1 1HB MET 1 -11.491 16.216 9.530 7 HG2 MET 1 2HG MET 1 -8.806 17.236 8.898 8 HG3 MET 1 1HG MET 1 -9.342 17.457 10.564 9 HE1 MET 1 2HE MET 1 -6.811 15.165 9.288 10 HE2 MET 1 3HE MET 1 -6.974 14.472 10.901 11 HE3 MET 1 1HE MET 1 -7.052 16.220 10.680 12 H THR 2 H THR 2 -13.114 15.783 7.160 13 HA THR 2 HA THR 2 -13.618 13.698 6.401 14 HB THR 2 HB THR 2 -12.621 13.038 4.377 15 HG1 THR 2 1HG THR 2 -10.311 14.547 5.016 16 HG21 THR 2 3HG2 THR 2 -12.200 15.055 3.072 17 HG22 THR 2 1HG2 THR 2 -12.112 15.998 4.560 18 HG23 THR 2 2HG2 THR 2 -13.626 15.222 4.096 19 H ARG 3 H ARG 3 -12.534 11.415 5.936 20 HA ARG 3 HA ARG 3 -10.354 10.878 7.796 21 HB2 ARG 3 2HB ARG 3 -13.158 10.228 8.303 22 HB3 ARG 3 1HB ARG 3 -12.107 8.822 8.393 23 HG2 ARG 3 2HG ARG 3 -10.696 9.990 10.020 24 HG3 ARG 3 1HG ARG 3 -11.778 11.381 9.945 25 HD2 ARG 3 2HD ARG 3 -13.337 10.396 11.234 26 HD3 ARG 3 1HD ARG 3 -13.101 8.817 10.485 27 HE ARG 3 HE ARG 3 -11.852 9.810 12.877 28 HH11 ARG 3 1HH1 ARG 3 -11.581 7.543 10.236 29 HH12 ARG 3 2HH1 ARG 3 -10.547 6.462 11.106 30 HH21 ARG 3 1HH2 ARG 3 -10.491 8.387 14.023 31 HH22 ARG 3 2HH2 ARG 3 -9.927 6.939 13.256 32 H TRP 4 H TRP 4 -9.090 9.194 7.188 33 HA TRP 4 HA TRP 4 -9.317 8.195 4.556 34 HB2 TRP 4 2HB TRP 4 -7.400 8.099 6.696 35 HB3 TRP 4 1HB TRP 4 -7.594 6.487 6.015 36 HD1 TRP 4 HD TRP 4 -7.901 9.561 3.778 37 HE1 TRP 4 1HE TRP 4 -5.931 9.587 2.122 38 HE3 TRP 4 3HE TRP 4 -5.194 5.726 5.723 39 HZ2 TRP 4 2HZ TRP 4 -3.529 8.150 1.703 40 HZ3 TRP 4 3HZ TRP 4 -3.069 5.098 4.649 41 HH2 TRP 4 HH TRP 4 -2.257 6.289 2.677 42 H VAL 5 H VAL 5 -10.666 6.697 3.841 43 HA VAL 5 HA VAL 5 -12.310 5.105 5.434 44 HB VAL 5 HB VAL 5 -12.569 3.697 3.299 45 HG11 VAL 5 1HG1 VAL 5 -13.526 5.941 2.141 46 HG12 VAL 5 2HG1 VAL 5 -13.324 6.498 3.802 47 HG13 VAL 5 3HG1 VAL 5 -14.332 5.091 3.461 48 HG21 VAL 5 3HG2 VAL 5 -10.302 4.467 2.436 49 HG22 VAL 5 1HG2 VAL 5 -11.099 5.986 2.024 50 HG23 VAL 5 2HG2 VAL 5 -11.640 4.479 1.286 51 HA PRO 6 HA PRO 6 -9.677 1.676 6.410 52 HB2 PRO 6 2HB PRO 6 -11.482 -0.020 7.382 53 HB3 PRO 6 1HB PRO 6 -11.177 1.527 8.179 54 HG2 PRO 6 2HG PRO 6 -13.438 0.724 6.405 55 HG3 PRO 6 1HG PRO 6 -13.456 1.749 7.848 56 HD2 PRO 6 2HD PRO 6 -13.414 2.649 5.199 57 HD3 PRO 6 1HD PRO 6 -13.029 3.621 6.632 58 H THR 7 H THR 7 -10.551 1.836 3.578 59 HA THR 7 HA THR 7 -10.875 0.546 1.717 60 HB THR 7 HB THR 7 -8.574 0.096 2.005 61 HG1 THR 7 1HG THR 7 -8.426 -2.094 1.341 62 HG21 THR 7 3HG2 THR 7 -9.314 -1.915 4.113 63 HG22 THR 7 1HG2 THR 7 -8.459 -0.391 4.358 64 HG23 THR 7 2HG2 THR 7 -7.699 -1.691 3.439 65 H LYS 8 H LYS 8 -13.025 -0.030 1.773 66 HA LYS 8 HA LYS 8 -13.713 -2.566 3.079 67 HB2 LYS 8 2HB LYS 8 -15.303 -0.190 2.188 68 HB3 LYS 8 1HB LYS 8 -16.097 -1.749 2.347 69 HG2 LYS 8 2HG LYS 8 -16.318 -1.420 4.521 70 HG3 LYS 8 1HG LYS 8 -14.564 -1.322 4.690 71 HD2 LYS 8 2HD LYS 8 -15.236 0.720 5.534 72 HD3 LYS 8 1HD LYS 8 -14.894 1.122 3.850 73 HE2 LYS 8 2HE LYS 8 -17.638 0.217 4.364 74 HE3 LYS 8 1HE LYS 8 -17.202 1.727 5.162 75 HZ1 LYS 8 3HZ LYS 8 -17.862 2.548 3.175 76 HZ2 LYS 8 1HZ LYS 8 -17.478 1.139 2.318 77 HZ3 LYS 8 2HZ LYS 8 -16.256 2.223 2.758 78 H ARG 9 H ARG 9 -15.349 -3.920 1.850 79 HA ARG 9 HA ARG 9 -15.821 -5.264 0.076 80 HB2 ARG 9 2HB ARG 9 -15.845 -2.564 -0.936 81 HB3 ARG 9 1HB ARG 9 -15.286 -3.668 -2.183 82 HG2 ARG 9 2HG ARG 9 -17.370 -4.282 -2.585 83 HG3 ARG 9 1HG ARG 9 -17.534 -4.849 -0.922 84 HD2 ARG 9 2HD ARG 9 -19.256 -3.277 -1.206 85 HD3 ARG 9 1HD ARG 9 -18.001 -2.427 -0.305 86 HE ARG 9 HE ARG 9 -17.433 -1.816 -2.878 87 HH11 ARG 9 1HH1 ARG 9 -20.344 -1.610 -0.965 88 HH12 ARG 9 2HH1 ARG 9 -20.968 -0.249 -1.834 89 HH21 ARG 9 1HH2 ARG 9 -18.250 -0.024 -4.021 90 HH22 ARG 9 2HH2 ARG 9 -19.779 0.652 -3.569 91 H GLU 10 H GLU 10 -13.089 -5.108 1.107 92 HA GLU 10 HA GLU 10 -11.501 -5.683 -1.290 93 HB2 GLU 10 2HB GLU 10 -10.852 -4.187 0.870 94 HB3 GLU 10 1HB GLU 10 -10.214 -5.745 1.372 95 HG2 GLU 10 2HG GLU 10 -9.289 -5.568 -1.181 96 HG3 GLU 10 1HG GLU 10 -9.256 -3.882 -0.665 97 H GLU 11 H GLU 11 -9.755 -7.468 -0.779 98 HA GLU 11 HA GLU 11 -11.267 -9.833 0.084 99 HB2 GLU 11 2HB GLU 11 -9.875 -9.373 -2.240 100 HB3 GLU 11 1HB GLU 11 -8.711 -10.282 -1.286 101 HG2 GLU 11 2HG GLU 11 -9.902 -11.862 -2.555 102 HG3 GLU 11 1HG GLU 11 -10.521 -11.989 -0.909 103 H LYS 12 H LYS 12 -7.852 -8.791 0.058 104 HA LYS 12 HA LYS 12 -7.532 -9.125 2.859 105 HB2 LYS 12 2HB LYS 12 -7.038 -11.440 1.124 106 HB3 LYS 12 1HB LYS 12 -5.680 -11.035 2.165 107 HG2 LYS 12 2HG LYS 12 -6.722 -11.747 4.011 108 HG3 LYS 12 1HG LYS 12 -8.267 -11.045 3.529 109 HD2 LYS 12 2HD LYS 12 -7.443 -13.326 1.892 110 HD3 LYS 12 1HD LYS 12 -7.690 -13.723 3.594 111 HE2 LYS 12 2HE LYS 12 -9.833 -13.972 2.931 112 HE3 LYS 12 1HE LYS 12 -9.873 -12.223 3.156 113 HZ1 LYS 12 3HZ LYS 12 -9.939 -13.781 0.702 114 HZ2 LYS 12 1HZ LYS 12 -9.017 -12.363 0.651 115 HZ3 LYS 12 2HZ LYS 12 -10.656 -12.293 1.060 116 H TYR 13 H TYR 13 -5.532 -9.665 -0.048 117 HA TYR 13 HA TYR 13 -4.122 -7.190 0.349 118 HB2 TYR 13 2HB TYR 13 -1.871 -8.419 0.465 119 HB3 TYR 13 1HB TYR 13 -2.831 -8.346 1.939 120 HD1 TYR 13 1HD TYR 13 -2.418 -10.574 -1.041 121 HD2 TYR 13 2HD TYR 13 -3.019 -10.289 3.161 122 HE1 TYR 13 1HE TYR 13 -2.323 -13.025 -0.866 123 HE2 TYR 13 2HE TYR 13 -2.924 -12.738 3.347 124 HH TYR 13 HH TYR 13 -1.811 -14.655 1.889 125 H GLY 14 H GLY 14 -2.409 -6.883 -1.327 126 HA2 GLY 14 2HA GLY 14 -2.879 -8.562 -3.705 127 HA3 GLY 14 1HA GLY 14 -3.006 -6.813 -3.818 128 H VAL 15 H VAL 15 -1.330 -7.536 -5.540 129 HA VAL 15 HA VAL 15 1.355 -7.668 -4.355 130 HB VAL 15 HB VAL 15 0.616 -8.061 -7.256 131 HG11 VAL 15 1HG1 VAL 15 3.111 -8.632 -5.667 132 HG12 VAL 15 2HG1 VAL 15 2.921 -7.488 -6.997 133 HG13 VAL 15 3HG1 VAL 15 2.829 -9.222 -7.304 134 HG21 VAL 15 3HG2 VAL 15 0.443 -9.884 -4.954 135 HG22 VAL 15 1HG2 VAL 15 1.270 -10.534 -6.370 136 HG23 VAL 15 2HG2 VAL 15 -0.383 -9.938 -6.512 137 H ALA 16 H ALA 16 3.004 -6.252 -5.056 138 HA ALA 16 HA ALA 16 2.041 -3.795 -6.373 139 HB1 ALA 16 1HB ALA 16 2.282 -3.181 -4.118 140 HB2 ALA 16 2HB ALA 16 3.753 -2.608 -4.907 141 HB3 ALA 16 3HB ALA 16 3.785 -4.086 -3.946 142 H PHE 17 H PHE 17 2.995 -3.635 -8.303 143 HA PHE 17 HA PHE 17 5.739 -4.640 -8.606 144 HB2 PHE 17 2HB PHE 17 5.193 -4.319 -11.103 145 HB3 PHE 17 1HB PHE 17 4.399 -5.642 -10.255 146 HD1 PHE 17 1HD PHE 17 2.022 -5.503 -9.693 147 HD2 PHE 17 2HD PHE 17 3.964 -2.448 -11.931 148 HE1 PHE 17 1HE PHE 17 -0.168 -4.632 -10.400 149 HE2 PHE 17 2HE PHE 17 1.777 -1.572 -12.640 150 HZ PHE 17 HZ PHE 17 -0.294 -2.664 -11.874 151 H TYR 18 H TYR 18 6.896 -2.914 -7.783 152 HA TYR 18 HA TYR 18 7.294 -0.737 -9.597 153 HB2 TYR 18 2HB TYR 18 5.287 -0.076 -8.135 154 HB3 TYR 18 1HB TYR 18 6.451 0.065 -6.821 155 HD1 TYR 18 2HD TYR 18 5.385 1.459 -10.055 156 HD2 TYR 18 1HD TYR 18 8.014 1.879 -6.739 157 HE1 TYR 18 2HE TYR 18 5.972 3.734 -10.802 158 HE2 TYR 18 1HE TYR 18 8.596 4.151 -7.470 159 HH TYR 18 HH TYR 18 7.693 5.933 -8.834 160 H ASN 19 H ASN 19 9.053 0.719 -8.863 161 HA ASN 19 HA ASN 19 10.943 -0.747 -7.143 162 HB2 ASN 19 2HB ASN 19 11.469 1.144 -9.448 163 HB3 ASN 19 1HB ASN 19 12.724 0.487 -8.402 164 HD21 ASN 19 1HD2 ASN 19 12.085 -2.079 -8.100 165 HD22 ASN 19 2HD2 ASN 19 12.068 -2.904 -9.619 166 H TYR 20 H TYR 20 9.347 0.584 -5.624 167 HA TYR 20 HA TYR 20 10.130 3.347 -5.276 168 HB2 TYR 20 2HB TYR 20 7.788 2.299 -4.878 169 HB3 TYR 20 1HB TYR 20 8.454 1.780 -3.335 170 HD1 TYR 20 1HD TYR 20 9.806 3.817 -2.114 171 HD2 TYR 20 2HD TYR 20 6.539 4.227 -4.812 172 HE1 TYR 20 1HE TYR 20 9.287 6.014 -1.143 173 HE2 TYR 20 2HE TYR 20 6.012 6.426 -3.846 174 HH TYR 20 HH TYR 20 8.032 8.200 -2.096 175 H ASP 21 H ASP 21 11.548 4.140 -3.852 176 HA ASP 21 HA ASP 21 12.728 2.280 -1.894 177 HB2 ASP 21 2HB ASP 21 14.263 2.806 -3.784 178 HB3 ASP 21 1HB ASP 21 14.169 4.510 -3.348 179 H ALA 22 H ALA 22 11.572 2.930 -0.133 180 HA ALA 22 HA ALA 22 10.896 5.567 0.527 181 HB1 ALA 22 1HB ALA 22 9.641 4.119 1.745 182 HB2 ALA 22 2HB ALA 22 10.894 4.449 2.943 183 HB3 ALA 22 3HB ALA 22 10.970 2.981 1.970 184 H ARG 23 H ARG 23 11.811 7.087 1.873 185 HA ARG 23 HA ARG 23 14.623 6.618 2.621 186 HB2 ARG 23 2HB ARG 23 13.454 8.667 0.977 187 HB3 ARG 23 1HB ARG 23 14.185 9.400 2.397 188 HG2 ARG 23 2HG ARG 23 16.277 8.926 1.730 189 HG3 ARG 23 1HG ARG 23 15.822 7.364 1.049 190 HD2 ARG 23 2HD ARG 23 14.832 9.797 -0.326 191 HD3 ARG 23 1HD ARG 23 16.552 9.433 -0.464 192 HE ARG 23 HE ARG 23 14.854 7.186 -1.026 193 HH11 ARG 23 1HH1 ARG 23 16.363 10.030 -2.371 194 HH12 ARG 23 2HH1 ARG 23 16.341 9.427 -3.994 195 HH21 ARG 23 1HH2 ARG 23 14.824 6.391 -3.159 196 HH22 ARG 23 2HH2 ARG 23 15.467 7.362 -4.442 197 H GLY 24 H GLY 24 12.155 6.209 4.195 198 HA2 GLY 24 2HA GLY 24 13.010 7.177 6.661 199 HA3 GLY 24 1HA GLY 24 11.822 8.319 6.052 200 H ALA 25 H ALA 25 11.015 7.343 8.272 201 HA ALA 25 HA ALA 25 9.753 4.788 8.158 202 HB1 ALA 25 1HB ALA 25 8.470 5.969 10.190 203 HB2 ALA 25 2HB ALA 25 9.873 7.032 10.078 204 HB3 ALA 25 3HB ALA 25 10.096 5.302 10.335 205 H ASP 26 H ASP 26 8.794 8.036 7.334 206 HA ASP 26 HA ASP 26 6.014 7.753 7.363 207 HB2 ASP 26 2HB ASP 26 7.947 9.565 6.022 208 HB3 ASP 26 1HB ASP 26 6.321 9.505 5.351 209 H GLU 27 H GLU 27 8.385 6.982 4.858 210 HA GLU 27 HA GLU 27 6.225 5.783 3.257 211 HB2 GLU 27 2HB GLU 27 8.711 7.218 2.561 212 HB3 GLU 27 1HB GLU 27 8.349 5.812 1.569 213 HG2 GLU 27 2HG GLU 27 7.208 7.320 0.358 214 HG3 GLU 27 1HG GLU 27 5.948 6.993 1.547 215 H LEU 28 H LEU 28 6.892 3.828 1.990 216 HA LEU 28 HA LEU 28 8.831 2.172 3.452 217 HB2 LEU 28 2HB LEU 28 6.603 1.580 4.233 218 HB3 LEU 28 1HB LEU 28 6.063 1.338 2.583 219 HG LEU 28 HG LEU 28 8.377 -0.285 3.446 220 HD11 LEU 28 1HD1 LEU 28 7.309 -0.758 5.403 221 HD12 LEU 28 2HD1 LEU 28 6.515 -1.926 4.348 222 HD13 LEU 28 3HD1 LEU 28 5.711 -0.407 4.747 223 HD21 LEU 28 3HD2 LEU 28 7.322 -0.427 1.206 224 HD22 LEU 28 1HD2 LEU 28 5.838 -0.983 1.980 225 HD23 LEU 28 2HD2 LEU 28 7.306 -1.954 2.087 226 H SER 29 H SER 29 10.143 0.958 2.208 227 HA SER 29 HA SER 29 10.306 1.469 -0.563 228 HB2 SER 29 2HB SER 29 11.626 -0.756 1.009 229 HB3 SER 29 1HB SER 29 12.125 -0.159 -0.573 230 HG SER 29 HG SER 29 12.116 1.302 1.862 231 H LEU 30 H LEU 30 9.427 0.495 -2.263 232 HA LEU 30 HA LEU 30 8.009 -2.053 -1.832 233 HB2 LEU 30 2HB LEU 30 7.031 0.428 -2.771 234 HB3 LEU 30 1HB LEU 30 7.063 -0.650 -4.151 235 HG LEU 30 HG LEU 30 4.891 -0.731 -3.095 236 HD11 LEU 30 1HD1 LEU 30 5.551 -2.786 -4.078 237 HD12 LEU 30 2HD1 LEU 30 4.811 -3.175 -2.524 238 HD13 LEU 30 3HD1 LEU 30 6.565 -3.197 -2.695 239 HD21 LEU 30 3HD2 LEU 30 6.111 -1.849 -0.602 240 HD22 LEU 30 1HD2 LEU 30 4.500 -1.173 -0.851 241 HD23 LEU 30 2HD2 LEU 30 5.906 -0.110 -0.806 242 H GLN 31 H GLN 31 8.424 -3.714 -3.195 243 HA GLN 31 HA GLN 31 10.122 -3.178 -5.537 244 HB2 GLN 31 2HB GLN 31 10.486 -5.347 -3.469 245 HB3 GLN 31 1HB GLN 31 11.297 -5.347 -5.030 246 HG2 GLN 31 2HG GLN 31 12.271 -3.122 -4.418 247 HG3 GLN 31 1HG GLN 31 11.609 -3.357 -2.799 248 HE21 GLN 31 1HE2 GLN 31 12.088 -5.902 -2.220 249 HE22 GLN 31 2HE2 GLN 31 13.780 -6.251 -2.245 250 H ILE 32 H ILE 32 9.851 -4.559 -7.302 251 HA ILE 32 HA ILE 32 7.247 -5.516 -7.733 252 HB ILE 32 HB ILE 32 9.727 -6.272 -9.281 253 HG12 ILE 32 2HG1 ILE 32 7.912 -4.133 -10.242 254 HG13 ILE 32 1HG1 ILE 32 8.933 -3.728 -8.865 255 HG21 ILE 32 1HG2 ILE 32 7.322 -5.987 -10.830 256 HG22 ILE 32 2HG2 ILE 32 7.074 -7.142 -9.521 257 HG23 ILE 32 3HG2 ILE 32 8.392 -7.379 -10.669 258 HD11 ILE 32 3HD1 ILE 32 10.861 -4.633 -10.294 259 HD12 ILE 32 1HD1 ILE 32 10.178 -3.059 -10.700 260 HD13 ILE 32 2HD1 ILE 32 9.737 -4.483 -11.643 261 H GLY 33 H GLY 33 6.349 -7.533 -7.697 262 HA2 GLY 33 2HA GLY 33 6.305 -9.871 -7.491 263 HA3 GLY 33 1HA GLY 33 8.011 -9.843 -7.073 264 H ASP 34 H ASP 34 6.874 -7.512 -5.170 265 HA ASP 34 HA ASP 34 6.605 -9.325 -2.904 266 HB2 ASP 34 2HB ASP 34 7.127 -6.373 -3.169 267 HB3 ASP 34 1HB ASP 34 6.685 -7.087 -1.621 268 H THR 35 H THR 35 4.796 -9.551 -1.693 269 HA THR 35 HA THR 35 2.347 -8.379 -2.756 270 HB THR 35 HB THR 35 2.733 -10.494 -0.629 271 HG1 THR 35 1HG THR 35 2.153 -11.920 -2.283 272 HG21 THR 35 3HG2 THR 35 0.469 -9.041 -1.034 273 HG22 THR 35 1HG2 THR 35 0.528 -10.676 -0.377 274 HG23 THR 35 2HG2 THR 35 0.214 -10.427 -2.094 275 H VAL 36 H VAL 36 1.208 -6.826 -1.767 276 HA VAL 36 HA VAL 36 2.105 -5.981 0.910 277 HB VAL 36 HB VAL 36 1.173 -3.722 0.256 278 HG11 VAL 36 1HG1 VAL 36 3.578 -4.945 -1.049 279 HG12 VAL 36 2HG1 VAL 36 3.498 -3.861 0.340 280 HG13 VAL 36 3HG1 VAL 36 3.178 -3.243 -1.280 281 HG21 VAL 36 3HG2 VAL 36 -0.201 -4.452 -1.620 282 HG22 VAL 36 1HG2 VAL 36 1.245 -4.955 -2.497 283 HG23 VAL 36 2HG2 VAL 36 0.980 -3.249 -2.139 284 H HIS 37 H HIS 37 0.633 -5.664 2.494 285 HA HIS 37 HA HIS 37 -2.116 -6.491 1.922 286 HB2 HIS 37 2HB HIS 37 -0.863 -7.653 3.735 287 HB3 HIS 37 1HB HIS 37 -0.754 -6.123 4.600 288 HD1 HIS 37 1HD HIS 37 -2.444 -9.002 5.095 289 HD2 HIS 37 2HD HIS 37 -3.826 -5.133 4.468 290 HE1 HIS 37 1HE HIS 37 -4.766 -8.952 6.060 291 HE2 HIS 37 2HE HIS 37 -5.619 -6.633 5.575 292 H ILE 38 H ILE 38 -3.395 -4.847 1.385 293 HA ILE 38 HA ILE 38 -2.928 -2.165 2.289 294 HB ILE 38 HB ILE 38 -5.358 -3.224 0.848 295 HG12 ILE 38 2HG1 ILE 38 -3.281 -1.801 -0.685 296 HG13 ILE 38 1HG1 ILE 38 -2.800 -3.391 -0.101 297 HG21 ILE 38 1HG2 ILE 38 -4.400 -0.495 0.359 298 HG22 ILE 38 2HG2 ILE 38 -5.003 -0.789 1.990 299 HG23 ILE 38 3HG2 ILE 38 -6.039 -1.100 0.598 300 HD11 ILE 38 3HD1 ILE 38 -5.447 -3.302 -1.346 301 HD12 ILE 38 1HD1 ILE 38 -4.129 -4.455 -1.549 302 HD13 ILE 38 2HD1 ILE 38 -4.105 -2.924 -2.424 303 H LEU 39 H LEU 39 -3.616 -1.289 4.108 304 HA LEU 39 HA LEU 39 -5.932 -2.495 5.473 305 HB2 LEU 39 2HB LEU 39 -4.965 -1.596 7.573 306 HB3 LEU 39 1HB LEU 39 -3.969 -2.815 6.802 307 HG LEU 39 HG LEU 39 -2.784 -0.677 5.763 308 HD11 LEU 39 1HD1 LEU 39 -3.231 0.514 8.408 309 HD12 LEU 39 2HD1 LEU 39 -4.603 0.603 7.305 310 HD13 LEU 39 3HD1 LEU 39 -3.046 1.281 6.830 311 HD21 LEU 39 3HD2 LEU 39 -2.041 -2.557 7.465 312 HD22 LEU 39 1HD2 LEU 39 -2.086 -1.209 8.600 313 HD23 LEU 39 2HD2 LEU 39 -1.052 -1.127 7.174 314 H GLU 40 H GLU 40 -4.502 0.405 4.224 315 HA GLU 40 HA GLU 40 -6.945 1.875 4.938 316 HB2 GLU 40 2HB GLU 40 -4.252 2.465 5.763 317 HB3 GLU 40 1HB GLU 40 -4.850 3.762 4.736 318 HG2 GLU 40 2HG GLU 40 -5.268 4.162 7.120 319 HG3 GLU 40 1HG GLU 40 -6.753 4.085 6.173 320 H THR 41 H THR 41 -7.624 3.443 3.424 321 HA THR 41 HA THR 41 -6.137 3.797 0.969 322 HB THR 41 HB THR 41 -7.278 1.667 0.554 323 HG1 THR 41 1HG THR 41 -8.396 2.341 -1.337 324 HG21 THR 41 3HG2 THR 41 -9.868 3.154 0.881 325 HG22 THR 41 1HG2 THR 41 -9.214 2.018 2.059 326 HG23 THR 41 2HG2 THR 41 -9.652 1.460 0.445 327 H TYR 42 H TYR 42 -7.730 5.016 -0.662 328 HA TYR 42 HA TYR 42 -9.795 6.612 0.352 329 HB2 TYR 42 2HB TYR 42 -7.672 7.478 1.601 330 HB3 TYR 42 1HB TYR 42 -7.305 8.261 0.067 331 HD1 TYR 42 2HD TYR 42 -10.336 7.813 2.222 332 HD2 TYR 42 1HD TYR 42 -7.895 10.481 -0.021 333 HE1 TYR 42 2HE TYR 42 -11.826 9.674 2.823 334 HE2 TYR 42 1HE TYR 42 -9.379 12.348 0.575 335 HH TYR 42 HH TYR 42 -12.439 11.901 1.946 336 H GLU 43 H GLU 43 -6.937 7.230 -1.697 337 HA GLU 43 HA GLU 43 -8.183 6.825 -4.154 338 HB2 GLU 43 2HB GLU 43 -8.420 9.229 -4.882 339 HB3 GLU 43 1HB GLU 43 -9.628 8.673 -3.731 340 HG2 GLU 43 2HG GLU 43 -8.246 9.710 -1.920 341 HG3 GLU 43 1HG GLU 43 -7.245 10.420 -3.185 342 H GLY 44 H GLY 44 -6.298 6.060 -4.944 343 HA2 GLY 44 2HA GLY 44 -4.173 6.082 -5.821 344 HA3 GLY 44 1HA GLY 44 -4.330 7.832 -5.897 345 H TRP 45 H TRP 45 -4.599 6.042 -2.920 346 HA TRP 45 HA TRP 45 -1.889 6.356 -2.109 347 HB2 TRP 45 2HB TRP 45 -3.455 8.638 -1.869 348 HB3 TRP 45 1HB TRP 45 -3.502 7.935 -0.263 349 HD1 TRP 45 HD TRP 45 -2.238 10.505 -0.033 350 HE1 TRP 45 1HE TRP 45 0.278 10.950 0.202 351 HE3 TRP 45 3HE TRP 45 -0.408 6.109 -1.975 352 HZ2 TRP 45 2HZ TRP 45 2.700 9.647 -0.349 353 HZ3 TRP 45 3HZ TRP 45 2.027 5.814 -2.077 354 HH2 TRP 45 HH TRP 45 3.548 7.543 -1.280 355 H TYR 46 H TYR 46 -1.917 4.266 -1.346 356 HA TYR 46 HA TYR 46 -3.862 3.697 0.797 357 HB2 TYR 46 2HB TYR 46 -2.543 1.584 -0.896 358 HB3 TYR 46 1HB TYR 46 -3.938 1.416 0.162 359 HD1 TYR 46 2HD TYR 46 -5.326 4.001 -0.852 360 HD2 TYR 46 1HD TYR 46 -3.585 0.666 -2.833 361 HE1 TYR 46 2HE TYR 46 -6.823 4.365 -2.770 362 HE2 TYR 46 1HE TYR 46 -5.073 1.017 -4.754 363 HH TYR 46 HH TYR 46 -7.765 3.092 -4.638 364 H ARG 47 H ARG 47 -3.166 2.525 2.589 365 HA ARG 47 HA ARG 47 -0.242 2.431 2.950 366 HB2 ARG 47 2HB ARG 47 -1.272 4.163 4.340 367 HB3 ARG 47 1HB ARG 47 -2.385 2.981 5.013 368 HG2 ARG 47 2HG ARG 47 -0.151 1.763 5.688 369 HG3 ARG 47 1HG ARG 47 0.502 3.397 5.561 370 HD2 ARG 47 2HD ARG 47 -1.683 3.935 6.992 371 HD3 ARG 47 1HD ARG 47 -1.440 2.262 7.492 372 HE ARG 47 HE ARG 47 0.420 2.912 8.666 373 HH11 ARG 47 1HH1 ARG 47 -0.545 5.500 6.533 374 HH12 ARG 47 2HH1 ARG 47 0.556 6.645 7.222 375 HH21 ARG 47 1HH2 ARG 47 1.868 4.417 9.572 376 HH22 ARG 47 2HH2 ARG 47 1.926 6.031 8.946 377 H GLY 48 H GLY 48 0.640 0.622 3.948 378 HA2 GLY 48 2HA GLY 48 -0.887 -1.402 5.202 379 HA3 GLY 48 1HA GLY 48 -0.613 -1.830 3.521 380 H TYR 49 H TYR 49 0.570 -3.661 4.294 381 HA TYR 49 HA TYR 49 3.377 -3.024 4.707 382 HB2 TYR 49 2HB TYR 49 3.606 -4.549 6.619 383 HB3 TYR 49 1HB TYR 49 2.518 -3.217 6.992 384 HD1 TYR 49 2HD TYR 49 2.755 -6.821 6.361 385 HD2 TYR 49 1HD TYR 49 0.157 -3.603 7.357 386 HE1 TYR 49 2HE TYR 49 1.024 -8.434 7.032 387 HE2 TYR 49 1HE TYR 49 -1.581 -5.206 8.031 388 HH TYR 49 HH TYR 49 -1.077 -8.276 8.745 389 H THR 50 H THR 50 4.761 -4.548 3.887 390 HA THR 50 HA THR 50 3.635 -6.448 2.062 391 HB THR 50 HB THR 50 6.105 -7.042 1.719 392 HG1 THR 50 1HG THR 50 6.660 -6.098 3.840 393 HG21 THR 50 3HG2 THR 50 5.037 -5.545 0.175 394 HG22 THR 50 1HG2 THR 50 6.645 -4.934 0.565 395 HG23 THR 50 2HG2 THR 50 5.220 -4.198 1.298 396 H LEU 51 H LEU 51 4.164 -8.729 2.017 397 HA LEU 51 HA LEU 51 3.643 -10.010 4.477 398 HB2 LEU 51 2HB LEU 51 4.339 -10.912 1.721 399 HB3 LEU 51 1HB LEU 51 4.445 -12.074 3.031 400 HG LEU 51 HG LEU 51 2.291 -12.168 1.821 401 HD11 LEU 51 1HD1 LEU 51 2.547 -11.658 4.716 402 HD12 LEU 51 2HD1 LEU 51 1.908 -13.060 3.859 403 HD13 LEU 51 3HD1 LEU 51 0.913 -11.617 4.054 404 HD21 LEU 51 3HD2 LEU 51 0.853 -10.414 1.614 405 HD22 LEU 51 1HD2 LEU 51 2.379 -9.528 1.615 406 HD23 LEU 51 2HD2 LEU 51 1.417 -9.631 3.090 407 H ARG 52 H ARG 52 6.589 -9.252 2.769 408 HA ARG 52 HA ARG 52 8.324 -11.019 4.110 409 HB2 ARG 52 2HB ARG 52 8.627 -8.551 2.488 410 HB3 ARG 52 1HB ARG 52 9.981 -8.994 3.517 411 HG2 ARG 52 2HG ARG 52 10.201 -11.112 2.432 412 HG3 ARG 52 1HG ARG 52 8.713 -10.852 1.519 413 HD2 ARG 52 2HD ARG 52 9.732 -9.555 -0.007 414 HD3 ARG 52 1HD ARG 52 10.714 -8.734 1.204 415 HE ARG 52 HE ARG 52 11.464 -11.000 -0.388 416 HH11 ARG 52 1HH1 ARG 52 12.043 -9.311 2.610 417 HH12 ARG 52 2HH1 ARG 52 13.650 -9.928 2.792 418 HH21 ARG 52 1HH2 ARG 52 13.579 -11.812 -0.150 419 HH22 ARG 52 2HH2 ARG 52 14.523 -11.347 1.224 420 H LYS 53 H LYS 53 8.031 -7.498 4.605 421 HA LYS 53 HA LYS 53 8.780 -7.932 7.421 422 HB2 LYS 53 2HB LYS 53 9.564 -5.571 7.385 423 HB3 LYS 53 1HB LYS 53 10.444 -6.618 6.279 424 HG2 LYS 53 2HG LYS 53 8.266 -5.518 4.848 425 HG3 LYS 53 1HG LYS 53 9.048 -4.203 5.726 426 HD2 LYS 53 2HD LYS 53 10.967 -5.999 4.482 427 HD3 LYS 53 1HD LYS 53 9.861 -5.280 3.310 428 HE2 LYS 53 2HE LYS 53 11.406 -3.710 5.366 429 HE3 LYS 53 1HE LYS 53 11.944 -3.964 3.707 430 HZ1 LYS 53 3HZ LYS 53 10.719 -1.823 4.199 431 HZ2 LYS 53 1HZ LYS 53 9.315 -2.760 4.333 432 HZ3 LYS 53 2HZ LYS 53 10.167 -2.716 2.873 433 H LYS 54 H LYS 54 6.876 -8.072 8.480 434 HA LYS 54 HA LYS 54 4.604 -6.462 7.807 435 HB2 LYS 54 2HB LYS 54 5.039 -8.053 10.337 436 HB3 LYS 54 1HB LYS 54 3.503 -7.542 9.648 437 HG2 LYS 54 2HG LYS 54 3.870 -9.012 7.731 438 HG3 LYS 54 1HG LYS 54 5.408 -9.528 8.426 439 HD2 LYS 54 2HD LYS 54 4.304 -10.531 10.297 440 HD3 LYS 54 1HD LYS 54 2.753 -9.839 9.819 441 HE2 LYS 54 2HE LYS 54 2.360 -11.460 8.317 442 HE3 LYS 54 1HE LYS 54 4.026 -11.462 7.742 443 HZ1 LYS 54 3HZ LYS 54 4.603 -13.101 9.153 444 HZ2 LYS 54 1HZ LYS 54 2.950 -13.461 9.117 445 HZ3 LYS 54 2HZ LYS 54 3.591 -12.560 10.397 446 H SER 55 H SER 55 7.199 -6.292 10.153 447 HA SER 55 HA SER 55 6.102 -4.359 11.869 448 HB2 SER 55 2HB SER 55 8.709 -3.819 12.122 449 HB3 SER 55 1HB SER 55 7.983 -5.272 12.810 450 HG SER 55 HG SER 55 9.137 -5.176 10.223 451 H LYS 56 H LYS 56 7.662 -4.101 8.757 452 HA LYS 56 HA LYS 56 7.904 -1.216 8.937 453 HB2 LYS 56 2HB LYS 56 9.185 -3.222 7.454 454 HB3 LYS 56 1HB LYS 56 8.276 -2.288 6.275 455 HG2 LYS 56 2HG LYS 56 10.068 -0.958 6.254 456 HG3 LYS 56 1HG LYS 56 9.415 -0.317 7.764 457 HD2 LYS 56 2HD LYS 56 11.262 -2.685 7.712 458 HD3 LYS 56 1HD LYS 56 11.872 -1.030 7.745 459 HE2 LYS 56 2HE LYS 56 10.737 -0.603 9.825 460 HE3 LYS 56 1HE LYS 56 9.950 -2.179 9.763 461 HZ1 LYS 56 3HZ LYS 56 12.178 -1.710 11.124 462 HZ2 LYS 56 1HZ LYS 56 12.854 -2.196 9.649 463 HZ3 LYS 56 2HZ LYS 56 11.796 -3.224 10.476 464 H LYS 57 H LYS 57 6.279 0.107 8.498 465 HA LYS 57 HA LYS 57 4.194 -0.795 6.620 466 HB2 LYS 57 2HB LYS 57 4.013 0.341 9.311 467 HB3 LYS 57 1HB LYS 57 3.007 1.180 8.138 468 HG2 LYS 57 2HG LYS 57 1.808 -0.792 7.619 469 HG3 LYS 57 1HG LYS 57 2.960 -1.803 8.493 470 HD2 LYS 57 2HD LYS 57 2.274 -0.845 10.597 471 HD3 LYS 57 1HD LYS 57 1.225 0.308 9.770 472 HE2 LYS 57 2HE LYS 57 -0.381 -1.211 10.182 473 HE3 LYS 57 1HE LYS 57 0.297 -2.041 8.781 474 HZ1 LYS 57 3HZ LYS 57 1.846 -3.073 10.595 475 HZ2 LYS 57 1HZ LYS 57 0.301 -3.707 10.320 476 HZ3 LYS 57 2HZ LYS 57 0.570 -2.674 11.632 477 H GLY 58 H GLY 58 3.214 0.820 5.289 478 HA2 GLY 58 2HA GLY 58 4.088 3.513 5.230 479 HA3 GLY 58 1HA GLY 58 4.998 2.571 4.063 480 H ILE 59 H ILE 59 3.761 4.404 2.825 481 HA ILE 59 HA ILE 59 1.188 3.299 1.913 482 HB ILE 59 HB ILE 59 0.755 5.630 1.026 483 HG12 ILE 59 2HG1 ILE 59 3.082 6.279 2.854 484 HG13 ILE 59 1HG1 ILE 59 3.073 6.440 1.100 485 HG21 ILE 59 1HG2 ILE 59 0.792 4.783 3.857 486 HG22 ILE 59 2HG2 ILE 59 -0.559 5.265 2.832 487 HG23 ILE 59 3HG2 ILE 59 0.489 6.491 3.545 488 HD11 ILE 59 3HD1 ILE 59 1.798 8.135 3.171 489 HD12 ILE 59 1HD1 ILE 59 1.006 7.993 1.602 490 HD13 ILE 59 2HD1 ILE 59 2.662 8.591 1.702 491 H PHE 60 H PHE 60 0.725 3.426 -0.367 492 HA PHE 60 HA PHE 60 2.969 3.953 -2.147 493 HB2 PHE 60 2HB PHE 60 2.615 1.710 -3.267 494 HB3 PHE 60 1HB PHE 60 3.383 1.653 -1.683 495 HD1 PHE 60 2HD PHE 60 -0.056 1.566 -3.136 496 HD2 PHE 60 1HD PHE 60 2.652 0.040 -0.230 497 HE1 PHE 60 2HE PHE 60 -1.782 -0.003 -2.362 498 HE2 PHE 60 1HE PHE 60 0.931 -1.536 0.550 499 HZ PHE 60 HZ PHE 60 -1.289 -1.559 -0.516 500 HA PRO 61 HA PRO 61 -0.134 5.381 -4.933 501 HB2 PRO 61 2HB PRO 61 1.286 4.076 -7.166 502 HB3 PRO 61 1HB PRO 61 0.967 5.790 -6.887 503 HG2 PRO 61 2HG PRO 61 3.427 4.763 -6.620 504 HG3 PRO 61 1HG PRO 61 2.841 6.061 -5.564 505 HD2 PRO 61 2HD PRO 61 3.080 3.127 -5.011 506 HD3 PRO 61 1HD PRO 61 3.446 4.508 -3.954 507 H ALA 62 H ALA 62 -2.032 4.685 -5.803 508 HA ALA 62 HA ALA 62 -2.745 1.950 -5.499 509 HB1 ALA 62 1HB ALA 62 -4.926 2.599 -6.204 510 HB2 ALA 62 2HB ALA 62 -4.310 4.076 -6.946 511 HB3 ALA 62 3HB ALA 62 -4.282 3.892 -5.192 512 H SER 63 H SER 63 -2.096 3.992 -8.318 513 HA SER 63 HA SER 63 -2.866 2.227 -10.325 514 HB2 SER 63 2HB SER 63 -0.918 3.491 -11.603 515 HB3 SER 63 1HB SER 63 -2.411 4.322 -11.163 516 HG SER 63 HG SER 63 -1.379 5.412 -9.634 517 H TYR 64 H TYR 64 -0.109 2.132 -8.245 518 HA TYR 64 HA TYR 64 1.161 0.088 -9.927 519 HB2 TYR 64 2HB TYR 64 2.223 1.777 -7.666 520 HB3 TYR 64 1HB TYR 64 3.122 0.435 -8.375 521 HD1 TYR 64 1HD TYR 64 2.873 0.587 -11.149 522 HD2 TYR 64 2HD TYR 64 2.997 3.826 -8.395 523 HE1 TYR 64 1HE TYR 64 3.675 2.065 -12.939 524 HE2 TYR 64 2HE TYR 64 3.802 5.318 -10.177 525 HH TYR 64 HH TYR 64 5.130 4.898 -12.472 526 H ILE 65 H ILE 65 -1.189 -0.572 -8.525 527 HA ILE 65 HA ILE 65 -0.137 -2.663 -6.758 528 HB ILE 65 HB ILE 65 -2.523 -0.940 -6.071 529 HG12 ILE 65 2HG1 ILE 65 -0.207 0.063 -5.759 530 HG13 ILE 65 1HG1 ILE 65 -1.223 0.001 -4.323 531 HG21 ILE 65 1HG2 ILE 65 -2.320 -2.247 -3.877 532 HG22 ILE 65 2HG2 ILE 65 -1.357 -3.397 -4.804 533 HG23 ILE 65 3HG2 ILE 65 -3.028 -3.074 -5.265 534 HD11 ILE 65 3HD1 ILE 65 0.008 -1.794 -3.420 535 HD12 ILE 65 1HD1 ILE 65 1.193 -0.634 -4.017 536 HD13 ILE 65 2HD1 ILE 65 0.838 -2.089 -4.949 537 H HIS 66 H HIS 66 -1.605 -4.471 -6.475 538 HA HIS 66 HA HIS 66 -3.871 -4.635 -8.291 539 HB2 HIS 66 2HB HIS 66 -1.791 -5.331 -9.566 540 HB3 HIS 66 1HB HIS 66 -1.670 -6.694 -8.461 541 HD1 HIS 66 1HD HIS 66 -3.121 -5.729 -11.614 542 HD2 HIS 66 2HD HIS 66 -4.112 -8.385 -8.575 543 HE1 HIS 66 1HE HIS 66 -4.765 -7.334 -12.634 544 HE2 HIS 66 2HE HIS 66 -5.399 -8.895 -10.761 545 H LEU 67 H LEU 67 -5.440 -5.331 -7.003 546 HA LEU 67 HA LEU 67 -5.044 -6.698 -4.577 547 HB2 LEU 67 2HB LEU 67 -7.451 -6.220 -6.307 548 HB3 LEU 67 1HB LEU 67 -7.564 -7.197 -4.854 549 HG LEU 67 HG LEU 67 -8.273 -4.880 -4.465 550 HD11 LEU 67 1HD1 LEU 67 -7.224 -4.630 -2.411 551 HD12 LEU 67 2HD1 LEU 67 -5.684 -5.247 -3.010 552 HD13 LEU 67 3HD1 LEU 67 -7.035 -6.351 -2.749 553 HD21 LEU 67 3HD2 LEU 67 -5.416 -4.084 -4.971 554 HD22 LEU 67 1HD2 LEU 67 -6.795 -3.035 -4.643 555 HD23 LEU 67 2HD2 LEU 67 -6.696 -3.909 -6.171 556 H LYS 68 H LYS 68 -4.879 -8.801 -4.080 557 HA LYS 68 HA LYS 68 -5.019 -10.728 -6.288 558 HB2 LYS 68 2HB LYS 68 -3.487 -10.598 -3.731 559 HB3 LYS 68 1HB LYS 68 -3.875 -12.181 -4.388 560 HG2 LYS 68 2HG LYS 68 -2.898 -10.794 -6.568 561 HG3 LYS 68 1HG LYS 68 -1.880 -10.256 -5.230 562 HD2 LYS 68 2HD LYS 68 -0.885 -12.263 -5.022 563 HD3 LYS 68 1HD LYS 68 -2.390 -13.146 -5.289 564 HE2 LYS 68 2HE LYS 68 -1.962 -13.435 -7.465 565 HE3 LYS 68 1HE LYS 68 -1.425 -11.769 -7.671 566 HZ1 LYS 68 3HZ LYS 68 0.162 -14.100 -6.773 567 HZ2 LYS 68 1HZ LYS 68 0.692 -12.509 -6.538 568 HZ3 LYS 68 2HZ LYS 68 0.438 -13.095 -8.105 569 H GLU 69 H GLU 69 -5.554 -13.055 -5.349 570 HA GLU 69 HA GLU 69 -8.240 -12.812 -4.250 571 HB2 GLU 69 2HB GLU 69 -6.858 -15.317 -5.214 572 HB3 GLU 69 1HB GLU 69 -8.584 -15.070 -4.980 573 HG2 GLU 69 2HG GLU 69 -7.144 -13.320 -6.903 574 HG3 GLU 69 1HG GLU 69 -7.493 -14.985 -7.367 575 H ALA 70 H ALA 70 -5.397 -14.885 -3.647 576 HA ALA 70 HA ALA 70 -4.580 -15.833 -1.745 577 HB1 ALA 70 1HB ALA 70 -4.877 -14.643 0.361 578 HB2 ALA 70 2HB ALA 70 -6.158 -13.667 -0.358 579 HB3 ALA 70 3HB ALA 70 -4.502 -13.521 -0.947 580 H ILE 71 H ILE 71 -5.217 -17.776 -1.113 581 HA ILE 71 HA ILE 71 -6.468 -19.487 -0.282 582 HB ILE 71 HB ILE 71 -8.278 -17.370 0.878 583 HG12 ILE 71 2HG1 ILE 71 -6.040 -18.681 2.387 584 HG13 ILE 71 1HG1 ILE 71 -5.715 -17.267 1.391 585 HG21 ILE 71 1HG2 ILE 71 -9.392 -19.363 1.178 586 HG22 ILE 71 2HG2 ILE 71 -8.437 -19.273 2.657 587 HG23 ILE 71 3HG2 ILE 71 -7.903 -20.297 1.323 588 HD11 ILE 71 3HD1 ILE 71 -6.074 -16.390 3.504 589 HD12 ILE 71 1HD1 ILE 71 -7.409 -17.490 3.842 590 HD13 ILE 71 2HD1 ILE 71 -7.626 -16.164 2.699 591 H VAL 72 H VAL 72 -7.596 -20.699 -1.639 592 HA VAL 72 HA VAL 72 -10.013 -19.553 -2.878 593 HB VAL 72 HB VAL 72 -8.197 -21.571 -4.197 594 HG11 VAL 72 1HG1 VAL 72 -10.745 -20.239 -4.917 595 HG12 VAL 72 2HG1 VAL 72 -10.176 -21.868 -5.279 596 HG13 VAL 72 3HG1 VAL 72 -9.566 -20.494 -6.202 597 HG21 VAL 72 3HG2 VAL 72 -7.669 -19.580 -5.717 598 HG22 VAL 72 1HG2 VAL 72 -6.887 -19.632 -4.138 599 HG23 VAL 72 2HG2 VAL 72 -8.277 -18.577 -4.399 600 H GLU 73 H GLU 73 -11.689 -20.505 -1.912 601 HA GLU 73 HA GLU 73 -13.105 -22.096 -1.118 602 HB2 GLU 73 2HB GLU 73 -12.218 -23.041 -3.499 603 HB3 GLU 73 1HB GLU 73 -11.714 -24.346 -2.435 604 HG2 GLU 73 2HG GLU 73 -13.925 -24.775 -1.746 605 HG3 GLU 73 1HG GLU 73 -14.514 -23.268 -2.444 606 H GLY 74 H GLY 74 -13.140 -24.333 0.039 607 HA2 GLY 74 2HA GLY 74 -11.307 -24.145 2.219 608 HA3 GLY 74 1HA GLY 74 -12.531 -25.387 1.995
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