NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
24370 | 2k28 | 15695 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1HT GLY 1 24.850 -0.872 9.135 2 H2 GLY 1 2HT GLY 1 24.822 -2.495 8.662 3 H3 GLY 1 3HT GLY 1 23.478 -1.810 9.421 4 HA2 GLY 1 1HA GLY 1 23.088 -0.355 7.561 5 HA3 GLY 1 2HA GLY 1 24.527 -0.993 6.776 6 H SER 2 H SER 2 21.555 -1.014 6.075 7 HA SER 2 HA SER 2 20.878 -3.840 5.967 8 HG SER 2 HG SER 2 18.396 -2.797 6.829 9 HB2 SER 2 2HB SER 2 19.517 -1.436 4.673 10 HB3 SER 2 1HB SER 2 18.853 -3.069 4.756 11 H GLU 3 H GLU 3 21.484 -5.202 4.410 12 HA GLU 3 HA GLU 3 23.079 -4.589 2.167 13 HB2 GLU 3 2HB GLU 3 22.579 -6.946 1.452 14 HB3 GLU 3 1HB GLU 3 23.082 -6.822 3.136 15 HG2 GLU 3 2HG GLU 3 20.755 -7.037 3.882 16 HG3 GLU 3 1HG GLU 3 20.196 -7.081 2.211 17 H HIS 4 H HIS 4 19.584 -4.955 2.534 18 HA HIS 4 HA HIS 4 19.158 -3.412 0.090 19 HD1 HIS 4 1HD HIS 4 18.985 -7.717 1.048 20 HD2 HIS 4 2HD HIS 4 15.306 -5.775 1.132 21 HE1 HIS 4 1HE HIS 4 17.471 -9.204 2.399 22 HE2 HIS 4 2HE HIS 4 15.293 -7.939 2.557 23 HB2 HIS 4 2HB HIS 4 17.288 -4.853 -0.662 24 HB3 HIS 4 1HB HIS 4 18.792 -5.757 -0.637 25 H VAL 5 H VAL 5 17.759 -1.800 0.475 26 HA VAL 5 HA VAL 5 16.527 -1.555 3.117 27 HB VAL 5 HB VAL 5 16.702 0.446 0.818 28 HG11 VAL 5 1HG1 VAL 5 14.808 0.961 2.306 29 HG12 VAL 5 2HG1 VAL 5 16.085 2.161 2.502 30 HG13 VAL 5 3HG1 VAL 5 15.873 0.896 3.716 31 HG21 VAL 5 3HG2 VAL 5 18.502 1.537 2.128 32 HG22 VAL 5 1HG2 VAL 5 18.941 -0.117 1.680 33 HG23 VAL 5 2HG2 VAL 5 18.416 0.243 3.327 34 H PHE 6 H PHE 6 14.514 -2.388 3.339 35 HA PHE 6 HA PHE 6 12.552 -2.085 1.146 36 HD1 PHE 6 2HD PHE 6 14.517 -4.392 3.919 37 HD2 PHE 6 1HD PHE 6 10.276 -4.088 4.431 38 HE1 PHE 6 2HE PHE 6 14.731 -5.159 6.248 39 HE2 PHE 6 1HE PHE 6 10.506 -4.857 6.757 40 HZ PHE 6 HZ PHE 6 12.730 -5.395 7.664 41 HB2 PHE 6 2HB PHE 6 11.191 -3.796 2.264 42 HB3 PHE 6 1HB PHE 6 12.796 -4.408 1.915 43 H ALA 7 H ALA 7 11.264 -0.421 1.312 44 HA ALA 7 HA ALA 7 10.367 0.676 3.864 45 HB1 ALA 7 1HB ALA 7 11.148 2.959 3.274 46 HB2 ALA 7 2HB ALA 7 11.959 2.315 1.842 47 HB3 ALA 7 3HB ALA 7 12.501 1.842 3.454 48 H VAL 8 H VAL 8 8.365 1.480 3.679 49 HA VAL 8 HA VAL 8 6.919 0.993 1.217 50 HB VAL 8 HB VAL 8 5.848 2.106 3.838 51 HG11 VAL 8 1HG1 VAL 8 4.442 0.685 1.548 52 HG12 VAL 8 2HG1 VAL 8 4.324 2.403 1.938 53 HG13 VAL 8 3HG1 VAL 8 3.680 1.200 3.055 54 HG21 VAL 8 3HG2 VAL 8 6.975 -0.036 4.298 55 HG22 VAL 8 1HG2 VAL 8 6.029 -0.820 3.027 56 HG23 VAL 8 2HG2 VAL 8 5.226 -0.195 4.471 57 H GLU 9 H GLU 9 5.707 2.569 0.088 58 HA GLU 9 HA GLU 9 6.758 5.328 0.261 59 HB2 GLU 9 2HB GLU 9 7.434 4.081 -1.775 60 HB3 GLU 9 1HB GLU 9 5.749 3.795 -2.180 61 HG2 GLU 9 2HG GLU 9 5.416 6.228 -2.495 62 HG3 GLU 9 1HG GLU 9 7.095 6.516 -2.064 63 H SER 10 H SER 10 3.816 3.477 -0.780 64 HA SER 10 HA SER 10 1.934 5.298 0.390 65 HG SER 10 HG SER 10 0.911 7.476 -1.612 66 HB2 SER 10 2HB SER 10 2.843 6.748 -1.436 67 HB3 SER 10 1HB SER 10 2.415 5.528 -2.627 68 H ILE 11 H ILE 11 -0.338 4.721 -0.162 69 HA ILE 11 HA ILE 11 -0.763 1.968 -0.999 70 HB ILE 11 HB ILE 11 -2.697 4.142 -0.074 71 HG12 ILE 11 2HG1 ILE 11 -2.038 1.362 0.983 72 HG13 ILE 11 1HG1 ILE 11 -1.492 2.881 1.675 73 HG21 ILE 11 1HG2 ILE 11 -4.609 2.592 -0.373 74 HG22 ILE 11 2HG2 ILE 11 -3.551 1.436 -1.182 75 HG23 ILE 11 3HG2 ILE 11 -3.873 3.003 -1.926 76 HD11 ILE 11 3HD1 ILE 11 -3.813 3.415 2.280 77 HD12 ILE 11 1HD1 ILE 11 -3.259 1.902 2.992 78 HD13 ILE 11 2HD1 ILE 11 -4.336 1.872 1.598 79 H GLU 12 H GLU 12 -0.869 1.382 -3.022 80 HA GLU 12 HA GLU 12 -1.175 3.228 -5.245 81 HB2 GLU 12 2HB GLU 12 -0.824 0.198 -5.107 82 HB3 GLU 12 1HB GLU 12 -0.927 1.098 -6.615 83 HG2 GLU 12 2HG GLU 12 1.205 1.622 -4.537 84 HG3 GLU 12 1HG GLU 12 1.384 0.436 -5.826 85 H LYS 13 H LYS 13 -2.806 0.363 -3.951 86 HA LYS 13 HA LYS 13 -5.392 1.127 -5.107 87 HB2 LYS 13 2HB LYS 13 -4.117 -1.618 -5.495 88 HB3 LYS 13 1HB LYS 13 -5.733 -1.142 -6.020 89 HG2 LYS 13 2HG LYS 13 -4.634 0.552 -7.545 90 HG3 LYS 13 1HG LYS 13 -3.077 -0.156 -7.097 91 HD2 LYS 13 2HD LYS 13 -3.939 -2.374 -7.956 92 HD3 LYS 13 1HD LYS 13 -5.373 -1.522 -8.548 93 HE2 LYS 13 2HE LYS 13 -2.496 -1.121 -9.425 94 HE3 LYS 13 1HE LYS 13 -3.831 -1.757 -10.387 95 HZ1 LYS 13 3HZ LYS 13 -3.480 1.026 -9.413 96 HZ2 LYS 13 1HZ LYS 13 -4.908 0.463 -10.124 97 HZ3 LYS 13 2HZ LYS 13 -3.475 0.488 -11.012 98 H LYS 14 H LYS 14 -7.109 -0.490 -4.316 99 HA LYS 14 HA LYS 14 -6.594 -1.723 -1.719 100 HB2 LYS 14 2HB LYS 14 -8.057 -0.354 -0.438 101 HB3 LYS 14 1HB LYS 14 -7.075 0.776 -1.340 102 HG2 LYS 14 2HG LYS 14 -9.075 1.802 -1.724 103 HG3 LYS 14 1HG LYS 14 -9.199 0.616 -3.017 104 HD2 LYS 14 2HD LYS 14 -11.293 0.561 -1.875 105 HD3 LYS 14 1HD LYS 14 -10.432 -0.892 -1.382 106 HE2 LYS 14 2HE LYS 14 -11.494 0.017 0.558 107 HE3 LYS 14 1HE LYS 14 -9.762 0.319 0.718 108 HZ1 LYS 14 3HZ LYS 14 -11.722 2.307 -0.302 109 HZ2 LYS 14 1HZ LYS 14 -10.085 2.568 0.013 110 HZ3 LYS 14 2HZ LYS 14 -11.150 2.261 1.289 111 H ARG 15 H ARG 15 -8.492 -2.987 -0.943 112 HA ARG 15 HA ARG 15 -10.962 -2.896 -2.396 113 HE ARG 15 HE ARG 15 -7.182 -7.422 -1.394 114 HB2 ARG 15 2HB ARG 15 -11.120 -5.180 -3.176 115 HB3 ARG 15 1HB ARG 15 -9.688 -4.456 -3.891 116 HG2 ARG 15 2HG ARG 15 -9.413 -6.091 -1.377 117 HG3 ARG 15 1HG ARG 15 -9.635 -6.916 -2.917 118 HD2 ARG 15 2HD ARG 15 -7.600 -5.691 -3.764 119 HD3 ARG 15 1HD ARG 15 -7.366 -5.058 -2.127 120 HH11 ARG 15 1HH1 ARG 15 -6.532 -6.738 -4.778 121 HH12 ARG 15 2HH1 ARG 15 -5.482 -8.104 -4.969 122 HH21 ARG 15 1HH2 ARG 15 -5.836 -9.217 -1.655 123 HH22 ARG 15 2HH2 ARG 15 -5.084 -9.516 -3.189 124 H ILE 16 H ILE 16 -12.674 -3.710 -1.254 125 HA ILE 16 HA ILE 16 -12.174 -5.071 1.345 126 HB ILE 16 HB ILE 16 -14.376 -3.156 0.473 127 HG12 ILE 16 2HG1 ILE 16 -12.624 -3.258 2.949 128 HG13 ILE 16 1HG1 ILE 16 -12.310 -2.245 1.538 129 HG21 ILE 16 1HG2 ILE 16 -15.646 -3.657 2.555 130 HG22 ILE 16 2HG2 ILE 16 -14.555 -5.002 2.886 131 HG23 ILE 16 3HG2 ILE 16 -15.593 -5.044 1.462 132 HD11 ILE 16 3HD1 ILE 16 -14.645 -2.008 3.438 133 HD12 ILE 16 1HD1 ILE 16 -14.397 -1.008 2.000 134 HD13 ILE 16 2HD1 ILE 16 -13.247 -0.941 3.334 135 H ARG 17 H ARG 17 -12.894 -7.101 1.528 136 HA ARG 17 HA ARG 17 -15.276 -8.075 0.301 137 HE ARG 17 HE ARG 17 -15.946 -11.493 -3.139 138 HB2 ARG 17 2HB ARG 17 -13.531 -8.187 -1.603 139 HB3 ARG 17 1HB ARG 17 -12.717 -9.437 -0.667 140 HG2 ARG 17 2HG ARG 17 -14.709 -10.878 -0.822 141 HG3 ARG 17 1HG ARG 17 -15.582 -9.606 -1.680 142 HD2 ARG 17 2HD ARG 17 -13.757 -9.750 -3.474 143 HD3 ARG 17 1HD ARG 17 -13.203 -11.219 -2.657 144 HH11 ARG 17 1HH1 ARG 17 -12.980 -11.366 -5.018 145 HH12 ARG 17 2HH1 ARG 17 -13.669 -12.167 -6.388 146 HH21 ARG 17 1HH2 ARG 17 -16.845 -12.531 -4.942 147 HH22 ARG 17 2HH2 ARG 17 -15.869 -12.839 -6.339 148 H LYS 18 H LYS 18 -16.089 -9.744 1.509 149 HA LYS 18 HA LYS 18 -16.351 -11.378 3.052 150 HB2 LYS 18 2HB LYS 18 -13.410 -11.981 2.520 151 HB3 LYS 18 1HB LYS 18 -14.544 -13.062 3.329 152 HG2 LYS 18 2HG LYS 18 -15.857 -13.266 1.247 153 HG3 LYS 18 1HG LYS 18 -14.759 -12.140 0.438 154 HD2 LYS 18 2HD LYS 18 -12.882 -13.773 0.865 155 HD3 LYS 18 1HD LYS 18 -14.074 -14.908 1.509 156 HE2 LYS 18 2HE LYS 18 -14.048 -13.790 -1.316 157 HE3 LYS 18 1HE LYS 18 -13.493 -15.397 -0.847 158 HZ1 LYS 18 3HZ LYS 18 -16.273 -14.367 -0.601 159 HZ2 LYS 18 1HZ LYS 18 -15.754 -15.899 -0.105 160 HZ3 LYS 18 2HZ LYS 18 -15.719 -15.485 -1.739 161 H GLY 19 H GLY 19 -15.638 -8.723 3.981 162 HA2 GLY 19 2HA GLY 19 -15.296 -7.646 5.982 163 HA3 GLY 19 1HA GLY 19 -15.190 -9.216 6.762 164 H ARG 20 H ARG 20 -13.129 -8.272 4.115 165 HA ARG 20 HA ARG 20 -10.766 -7.991 5.854 166 HE ARG 20 HE ARG 20 -8.128 -10.474 5.895 167 HB2 ARG 20 2HB ARG 20 -11.025 -9.894 3.480 168 HB3 ARG 20 1HB ARG 20 -9.493 -9.455 4.226 169 HG2 ARG 20 2HG ARG 20 -11.758 -10.987 5.556 170 HG3 ARG 20 1HG ARG 20 -10.231 -11.658 4.969 171 HD2 ARG 20 2HD ARG 20 -10.612 -9.703 7.265 172 HD3 ARG 20 1HD ARG 20 -10.088 -11.386 7.378 173 HH11 ARG 20 1HH1 ARG 20 -9.555 -8.855 8.679 174 HH12 ARG 20 2HH1 ARG 20 -8.137 -7.907 8.993 175 HH21 ARG 20 1HH2 ARG 20 -6.300 -9.223 6.328 176 HH22 ARG 20 2HH2 ARG 20 -6.304 -8.116 7.663 177 H VAL 21 H VAL 21 -9.796 -6.133 5.301 178 HA VAL 21 HA VAL 21 -9.996 -5.173 2.506 179 HB VAL 21 HB VAL 21 -10.999 -3.643 4.166 180 HG11 VAL 21 1HG1 VAL 21 -9.637 -2.378 5.782 181 HG12 VAL 21 2HG1 VAL 21 -8.226 -3.351 5.361 182 HG13 VAL 21 3HG1 VAL 21 -9.618 -4.109 6.135 183 HG21 VAL 21 3HG2 VAL 21 -10.103 -2.736 2.081 184 HG22 VAL 21 1HG2 VAL 21 -8.516 -2.521 2.829 185 HG23 VAL 21 2HG2 VAL 21 -9.895 -1.573 3.393 186 H GLU 22 H GLU 22 -8.193 -4.764 1.363 187 HA GLU 22 HA GLU 22 -5.552 -5.455 2.503 188 HB2 GLU 22 2HB GLU 22 -6.766 -7.409 1.342 189 HB3 GLU 22 1HB GLU 22 -6.649 -6.487 -0.144 190 HG2 GLU 22 2HG GLU 22 -4.870 -7.959 -0.326 191 HG3 GLU 22 1HG GLU 22 -4.083 -6.506 0.285 192 H TYR 23 H TYR 23 -3.827 -4.345 1.508 193 HA TYR 23 HA TYR 23 -4.572 -2.166 -0.367 194 HD1 TYR 23 1HD TYR 23 -5.882 -0.499 0.290 195 HD2 TYR 23 2HD TYR 23 -4.284 -1.424 4.135 196 HE1 TYR 23 1HE TYR 23 -7.926 0.365 1.348 197 HE2 TYR 23 2HE TYR 23 -6.320 -0.559 5.206 198 HH TYR 23 HH TYR 23 -8.154 1.011 4.672 199 HB2 TYR 23 2HB TYR 23 -2.988 -1.914 2.221 200 HB3 TYR 23 1HB TYR 23 -3.150 -0.629 1.027 201 H LEU 24 H LEU 24 -3.223 -1.971 -2.038 202 HA LEU 24 HA LEU 24 -0.859 -3.597 -2.326 203 HG LEU 24 HG LEU 24 0.415 -2.151 -4.800 204 HB2 LEU 24 2HB LEU 24 -2.456 -2.976 -4.207 205 HB3 LEU 24 1HB LEU 24 -1.849 -1.332 -4.125 206 HD11 LEU 24 1HD1 LEU 24 -0.936 -4.849 -5.075 207 HD12 LEU 24 2HD1 LEU 24 0.316 -4.416 -3.909 208 HD13 LEU 24 3HD1 LEU 24 0.693 -4.452 -5.627 209 HD21 LEU 24 3HD2 LEU 24 -0.117 -2.648 -7.152 210 HD22 LEU 24 1HD2 LEU 24 -1.136 -1.346 -6.537 211 HD23 LEU 24 2HD2 LEU 24 -1.797 -2.972 -6.718 212 H VAL 25 H VAL 25 0.924 -3.035 -1.170 213 HA VAL 25 HA VAL 25 1.524 -0.256 -0.508 214 HB VAL 25 HB VAL 25 3.529 -1.220 0.719 215 HG11 VAL 25 1HG1 VAL 25 2.204 -2.152 2.600 216 HG12 VAL 25 2HG1 VAL 25 0.804 -2.323 1.538 217 HG13 VAL 25 3HG1 VAL 25 1.435 -0.717 1.916 218 HG21 VAL 25 3HG2 VAL 25 2.287 -3.915 0.014 219 HG22 VAL 25 1HG2 VAL 25 3.604 -3.664 1.165 220 HG23 VAL 25 2HG2 VAL 25 3.847 -3.308 -0.545 221 H LYS 26 H LYS 26 2.566 0.960 -1.851 222 HA LYS 26 HA LYS 26 4.208 0.071 -4.013 223 HB2 LYS 26 2HB LYS 26 2.893 2.152 -4.160 224 HB3 LYS 26 1HB LYS 26 3.770 2.828 -2.800 225 HG2 LYS 26 2HG LYS 26 4.534 3.790 -4.897 226 HG3 LYS 26 1HG LYS 26 5.825 2.877 -4.111 227 HD2 LYS 26 2HD LYS 26 5.452 0.995 -5.661 228 HD3 LYS 26 1HD LYS 26 4.127 1.876 -6.433 229 HE2 LYS 26 2HE LYS 26 6.237 2.012 -7.728 230 HE3 LYS 26 1HE LYS 26 5.677 3.599 -7.198 231 HZ1 LYS 26 3HZ LYS 26 8.097 3.203 -6.924 232 HZ2 LYS 26 1HZ LYS 26 7.748 2.026 -5.765 233 HZ3 LYS 26 2HZ LYS 26 7.316 3.642 -5.490 234 H TRP 27 H TRP 27 6.193 -0.707 -3.661 235 HA TRP 27 HA TRP 27 7.849 0.178 -1.435 236 HD1 TRP 27 HD TRP 27 6.393 -3.621 -3.073 237 HE1 TRP 27 1HE TRP 27 5.593 -4.781 -0.931 238 HE3 TRP 27 3HE TRP 27 9.273 -1.158 0.370 239 HZ2 TRP 27 2HZ TRP 27 6.075 -4.684 1.845 240 HZ3 TRP 27 3HZ TRP 27 9.029 -1.736 2.748 241 HH2 TRP 27 HH TRP 27 7.473 -3.465 3.471 242 HB2 TRP 27 2HB TRP 27 8.323 -1.889 -3.632 243 HB3 TRP 27 1HB TRP 27 9.456 -1.554 -2.318 244 H ARG 28 H ARG 28 9.119 1.872 -1.563 245 HA ARG 28 HA ARG 28 9.570 3.337 -3.969 246 HE ARG 28 HE ARG 28 12.989 5.169 -0.667 247 HB2 ARG 28 2HB ARG 28 11.076 4.778 -2.509 248 HB3 ARG 28 1HB ARG 28 9.402 4.641 -1.988 249 HG2 ARG 28 2HG ARG 28 10.034 3.066 -0.238 250 HG3 ARG 28 1HG ARG 28 11.711 3.072 -0.796 251 HD2 ARG 28 2HD ARG 28 10.216 5.492 0.286 252 HD3 ARG 28 1HD ARG 28 11.344 4.498 1.212 253 HH11 ARG 28 1HH1 ARG 28 10.535 7.314 0.674 254 HH12 ARG 28 2HH1 ARG 28 11.450 8.750 0.341 255 HH21 ARG 28 1HH2 ARG 28 14.160 7.052 -1.085 256 HH22 ARG 28 2HH2 ARG 28 13.501 8.602 -0.663 257 H GLY 29 H GLY 29 11.392 3.559 -5.209 258 HA2 GLY 29 2HA GLY 29 13.561 3.009 -5.985 259 HA3 GLY 29 1HA GLY 29 13.666 1.709 -4.806 260 H TRP 30 H TRP 30 11.043 0.639 -5.395 261 HA TRP 30 HA TRP 30 11.602 -0.841 -7.869 262 HD1 TRP 30 HD TRP 30 11.298 -1.541 -3.650 263 HE1 TRP 30 1HE TRP 30 13.118 -3.270 -3.095 264 HE3 TRP 30 3HE TRP 30 11.595 -3.901 -8.184 265 HZ2 TRP 30 2HZ TRP 30 14.497 -5.362 -4.395 266 HZ3 TRP 30 3HZ TRP 30 13.191 -5.755 -8.448 267 HH2 TRP 30 HH TRP 30 14.615 -6.473 -6.591 268 HB2 TRP 30 2HB TRP 30 9.546 -1.329 -5.668 269 HB3 TRP 30 1HB TRP 30 9.799 -2.370 -7.066 270 H SER 31 H SER 31 9.880 -1.250 -9.399 271 HA SER 31 HA SER 31 8.129 0.975 -10.011 272 HG SER 31 HG SER 31 9.517 0.820 -11.896 273 HB2 SER 31 2HB SER 31 8.514 -1.767 -11.302 274 HB3 SER 31 1HB SER 31 7.507 -0.490 -11.984 275 HA PRO 32 HA PRO 32 4.191 -0.568 -8.225 276 HB2 PRO 32 2HB PRO 32 3.050 -0.266 -11.005 277 HB3 PRO 32 1HB PRO 32 2.409 0.319 -9.461 278 HG2 PRO 32 2HG PRO 32 3.593 2.026 -11.110 279 HG3 PRO 32 1HG PRO 32 3.933 2.117 -9.366 280 HD2 PRO 32 2HD PRO 32 5.626 0.931 -11.571 281 HD3 PRO 32 1HD PRO 32 6.123 1.926 -10.181 282 H LYS 33 H LYS 33 5.461 -1.931 -11.175 283 HA LYS 33 HA LYS 33 4.118 -4.345 -11.450 284 HB2 LYS 33 2HB LYS 33 5.667 -3.510 -13.126 285 HB3 LYS 33 1HB LYS 33 7.012 -3.581 -11.996 286 HG2 LYS 33 2HG LYS 33 6.814 -6.081 -11.999 287 HG3 LYS 33 1HG LYS 33 5.554 -5.941 -13.231 288 HD2 LYS 33 2HD LYS 33 7.170 -4.879 -14.772 289 HD3 LYS 33 1HD LYS 33 8.420 -4.956 -13.527 290 HE2 LYS 33 2HE LYS 33 8.802 -6.754 -15.094 291 HE3 LYS 33 1HE LYS 33 8.238 -7.467 -13.586 292 HZ1 LYS 33 3HZ LYS 33 6.041 -7.713 -14.552 293 HZ2 LYS 33 1HZ LYS 33 7.193 -8.467 -15.532 294 HZ3 LYS 33 2HZ LYS 33 6.547 -6.974 -15.987 295 H TYR 34 H TYR 34 6.511 -3.436 -9.060 296 HA TYR 34 HA TYR 34 6.999 -6.241 -8.245 297 HD1 TYR 34 1HD TYR 34 9.489 -7.136 -8.891 298 HD2 TYR 34 2HD TYR 34 9.287 -2.978 -9.858 299 HE1 TYR 34 1HE TYR 34 10.720 -7.561 -10.971 300 HE2 TYR 34 2HE TYR 34 10.516 -3.406 -11.942 301 HH TYR 34 HH TYR 34 10.973 -6.497 -13.209 302 HB2 TYR 34 2HB TYR 34 8.593 -3.704 -7.694 303 HB3 TYR 34 1HB TYR 34 9.031 -5.314 -7.130 304 H ASN 35 H ASN 35 4.812 -4.058 -7.398 305 HA ASN 35 HA ASN 35 5.136 -3.907 -4.521 306 HB2 ASN 35 2HB ASN 35 2.687 -3.332 -6.240 307 HB3 ASN 35 1HB ASN 35 2.834 -2.954 -4.525 308 HD21 ASN 35 1HD2 ASN 35 2.191 -1.105 -6.479 309 HD22 ASN 35 2HD2 ASN 35 3.450 0.068 -6.567 310 H THR 36 H THR 36 3.835 -4.951 -2.956 311 HA THR 36 HA THR 36 2.305 -7.333 -3.838 312 HB THR 36 HB THR 36 4.376 -7.986 -2.594 313 HG1 THR 36 1HG THR 36 3.173 -9.241 -0.929 314 HG21 THR 36 3HG2 THR 36 3.133 -6.541 -0.223 315 HG22 THR 36 1HG2 THR 36 4.599 -6.064 -1.073 316 HG23 THR 36 2HG2 THR 36 4.566 -7.573 -0.169 317 H TRP 37 H TRP 37 0.481 -7.849 -2.507 318 HA TRP 37 HA TRP 37 -0.907 -5.570 -1.355 319 HD1 TRP 37 HD TRP 37 -1.255 -8.389 -4.418 320 HE1 TRP 37 1HE TRP 37 -2.419 -7.127 -6.327 321 HE3 TRP 37 3HE TRP 37 -3.979 -5.054 -1.658 322 HZ2 TRP 37 2HZ TRP 37 -4.228 -4.987 -6.642 323 HZ3 TRP 37 3HZ TRP 37 -5.401 -3.428 -2.841 324 HH2 TRP 37 HH TRP 37 -5.522 -3.398 -5.282 325 HB2 TRP 37 2HB TRP 37 -1.717 -8.486 -1.755 326 HB3 TRP 37 1HB TRP 37 -2.772 -7.250 -1.083 327 H GLU 38 H GLU 38 -1.238 -5.247 0.769 328 HA GLU 38 HA GLU 38 -0.469 -7.204 2.795 329 HB2 GLU 38 2HB GLU 38 0.700 -4.371 2.698 330 HB3 GLU 38 1HB GLU 38 0.723 -5.386 4.137 331 HG2 GLU 38 2HG GLU 38 1.955 -7.102 2.562 332 HG3 GLU 38 1HG GLU 38 2.275 -5.683 1.574 333 HA PRO 39 HA PRO 39 -4.447 -5.765 4.128 334 HB2 PRO 39 2HB PRO 39 -4.630 -6.943 6.574 335 HB3 PRO 39 1HB PRO 39 -4.645 -7.880 5.073 336 HG2 PRO 39 2HG PRO 39 -2.322 -7.332 6.932 337 HG3 PRO 39 1HG PRO 39 -2.846 -8.881 6.231 338 HD2 PRO 39 2HD PRO 39 -0.819 -7.442 5.145 339 HD3 PRO 39 1HD PRO 39 -1.931 -8.400 4.142 340 H GLU 40 H GLU 40 -5.525 -4.763 6.113 341 HA GLU 40 HA GLU 40 -4.512 -2.181 6.481 342 HB2 GLU 40 2HB GLU 40 -6.892 -2.789 6.523 343 HB3 GLU 40 1HB GLU 40 -6.662 -3.675 8.022 344 HG2 GLU 40 2HG GLU 40 -6.108 -1.530 9.164 345 HG3 GLU 40 1HG GLU 40 -6.404 -0.677 7.647 346 H GLU 41 H GLU 41 -4.122 -5.038 8.434 347 HA GLU 41 HA GLU 41 -3.137 -3.710 10.794 348 HB2 GLU 41 2HB GLU 41 -2.449 -6.127 11.445 349 HB3 GLU 41 1HB GLU 41 -4.152 -5.723 11.338 350 HG2 GLU 41 2HG GLU 41 -2.918 -6.899 8.874 351 HG3 GLU 41 1HG GLU 41 -3.071 -7.968 10.270 352 H ASN 42 H ASN 42 -1.686 -4.852 7.831 353 HA ASN 42 HA ASN 42 1.047 -4.508 8.841 354 HB2 ASN 42 2HB ASN 42 -0.028 -5.150 6.067 355 HB3 ASN 42 1HB ASN 42 1.685 -4.886 6.392 356 HD21 ASN 42 1HD2 ASN 42 2.299 -6.970 5.824 357 HD22 ASN 42 2HD2 ASN 42 1.895 -8.362 6.764 358 H ILE 43 H ILE 43 -1.374 -2.419 7.990 359 HA ILE 43 HA ILE 43 0.349 -0.385 6.769 360 HB ILE 43 HB ILE 43 -2.625 -0.241 7.450 361 HG12 ILE 43 2HG1 ILE 43 -2.288 -1.998 5.781 362 HG13 ILE 43 1HG1 ILE 43 -3.028 -0.605 5.021 363 HG21 ILE 43 1HG2 ILE 43 -1.612 1.977 7.267 364 HG22 ILE 43 2HG2 ILE 43 -2.691 1.675 5.906 365 HG23 ILE 43 3HG2 ILE 43 -0.944 1.564 5.687 366 HD11 ILE 43 3HD1 ILE 43 -1.386 -1.631 3.576 367 HD12 ILE 43 1HD1 ILE 43 -0.131 -1.408 4.796 368 HD13 ILE 43 2HD1 ILE 43 -0.875 -0.005 4.024 369 H LEU 44 H LEU 44 1.736 -0.159 8.579 370 HA LEU 44 HA LEU 44 0.687 1.116 11.013 371 HG LEU 44 HG LEU 44 3.262 -1.237 12.394 372 HB2 LEU 44 2HB LEU 44 3.436 0.077 10.242 373 HB3 LEU 44 1HB LEU 44 3.175 1.023 11.687 374 HD11 LEU 44 1HD1 LEU 44 1.488 0.019 13.490 375 HD12 LEU 44 2HD1 LEU 44 1.088 -1.693 13.383 376 HD13 LEU 44 3HD1 LEU 44 0.319 -0.540 12.286 377 HD21 LEU 44 3HD2 LEU 44 1.936 -3.074 11.470 378 HD22 LEU 44 1HD2 LEU 44 2.986 -2.359 10.248 379 HD23 LEU 44 2HD2 LEU 44 1.258 -1.994 10.248 380 H ASP 45 H ASP 45 2.584 1.754 8.151 381 HA ASP 45 HA ASP 45 3.654 4.290 8.857 382 HB2 ASP 45 2HB ASP 45 4.759 2.989 7.182 383 HB3 ASP 45 1HB ASP 45 3.300 2.845 6.212 384 HA PRO 46 HA PRO 46 -0.099 6.710 8.328 385 HB2 PRO 46 2HB PRO 46 0.917 9.229 8.533 386 HB3 PRO 46 1HB PRO 46 0.813 8.138 9.923 387 HG2 PRO 46 2HG PRO 46 3.186 8.704 8.139 388 HG3 PRO 46 1HG PRO 46 3.115 8.661 9.916 389 HD2 PRO 46 2HD PRO 46 4.017 6.545 8.472 390 HD3 PRO 46 1HD PRO 46 3.113 6.321 9.989 391 H ARG 47 H ARG 47 2.641 7.078 6.095 392 HA ARG 47 HA ARG 47 1.425 9.006 4.340 393 HE ARG 47 HE ARG 47 5.766 11.136 5.077 394 HB2 ARG 47 2HB ARG 47 3.636 7.009 3.685 395 HB3 ARG 47 1HB ARG 47 3.212 8.430 2.733 396 HG2 ARG 47 2HG ARG 47 4.383 8.421 5.533 397 HG3 ARG 47 1HG ARG 47 5.236 8.818 4.038 398 HD2 ARG 47 2HD ARG 47 3.749 10.768 3.720 399 HD3 ARG 47 1HD ARG 47 2.903 10.371 5.220 400 HH11 ARG 47 1HH1 ARG 47 2.665 11.312 6.748 401 HH12 ARG 47 2HH1 ARG 47 3.266 12.343 8.005 402 HH21 ARG 47 1HH2 ARG 47 6.537 12.484 6.705 403 HH22 ARG 47 2HH2 ARG 47 5.483 13.022 7.970 404 H LEU 48 H LEU 48 1.500 5.495 4.485 405 HA LEU 48 HA LEU 48 0.048 4.736 2.240 406 HG LEU 48 HG LEU 48 2.112 3.301 3.572 407 HB2 LEU 48 2HB LEU 48 0.049 3.725 5.097 408 HB3 LEU 48 1HB LEU 48 -0.892 2.927 3.849 409 HD11 LEU 48 1HD1 LEU 48 1.743 2.058 5.652 410 HD12 LEU 48 2HD1 LEU 48 2.424 1.021 4.401 411 HD13 LEU 48 3HD1 LEU 48 0.708 0.910 4.798 412 HD21 LEU 48 3HD2 LEU 48 0.160 1.362 2.284 413 HD22 LEU 48 1HD2 LEU 48 1.896 1.442 1.976 414 HD23 LEU 48 2HD2 LEU 48 0.861 2.788 1.518 415 H LEU 49 H LEU 49 -1.189 5.776 5.424 416 HA LEU 49 HA LEU 49 -3.950 5.549 4.736 417 HG LEU 49 HG LEU 49 -2.254 4.504 7.184 418 HB2 LEU 49 2HB LEU 49 -2.603 6.955 7.081 419 HB3 LEU 49 1HB LEU 49 -4.341 6.713 6.931 420 HD11 LEU 49 1HD1 LEU 49 -2.603 5.694 9.290 421 HD12 LEU 49 2HD1 LEU 49 -3.262 4.062 9.373 422 HD13 LEU 49 3HD1 LEU 49 -4.347 5.442 9.168 423 HD21 LEU 49 3HD2 LEU 49 -4.078 3.750 5.761 424 HD22 LEU 49 1HD2 LEU 49 -5.276 4.299 6.938 425 HD23 LEU 49 2HD2 LEU 49 -4.192 2.961 7.331 426 H ILE 50 H ILE 50 -1.642 8.243 4.650 427 HA ILE 50 HA ILE 50 -3.497 10.366 4.239 428 HB ILE 50 HB ILE 50 -0.568 10.123 3.412 429 HG12 ILE 50 2HG1 ILE 50 -1.806 11.612 5.772 430 HG13 ILE 50 1HG1 ILE 50 -1.017 10.046 5.887 431 HG21 ILE 50 1HG2 ILE 50 -1.647 11.810 1.997 432 HG22 ILE 50 2HG2 ILE 50 -0.554 12.583 3.142 433 HG23 ILE 50 3HG2 ILE 50 -2.295 12.625 3.425 434 HD11 ILE 50 3HD1 ILE 50 0.300 12.641 5.092 435 HD12 ILE 50 1HD1 ILE 50 1.103 11.072 5.195 436 HD13 ILE 50 2HD1 ILE 50 0.440 11.823 6.647 437 H ALA 51 H ALA 51 -1.635 8.309 2.031 438 HA ALA 51 HA ALA 51 -2.459 9.284 -0.463 439 HB1 ALA 51 1HB ALA 51 -0.631 7.644 -0.165 440 HB2 ALA 51 2HB ALA 51 -1.818 7.059 -1.336 441 HB3 ALA 51 3HB ALA 51 -1.803 6.417 0.311 442 H PHE 52 H PHE 52 -3.766 6.714 1.538 443 HA PHE 52 HA PHE 52 -5.933 5.776 0.089 444 HD1 PHE 52 2HD PHE 52 -7.138 3.474 0.911 445 HD2 PHE 52 1HD PHE 52 -7.286 5.922 4.427 446 HE1 PHE 52 2HE PHE 52 -9.223 2.406 1.590 447 HE2 PHE 52 1HE PHE 52 -9.390 4.832 5.083 448 HZ PHE 52 HZ PHE 52 -10.357 3.073 3.662 449 HB2 PHE 52 2HB PHE 52 -5.036 4.650 2.036 450 HB3 PHE 52 1HB PHE 52 -5.388 6.014 3.075 451 H GLN 53 H GLN 53 -5.803 8.463 2.447 452 HA GLN 53 HA GLN 53 -8.554 9.092 2.563 453 HB2 GLN 53 2HB GLN 53 -6.094 10.824 3.036 454 HB3 GLN 53 1HB GLN 53 -7.736 11.355 3.400 455 HG2 GLN 53 2HG GLN 53 -7.996 9.676 5.084 456 HG3 GLN 53 1HG GLN 53 -6.493 8.882 4.622 457 HE21 GLN 53 1HE2 GLN 53 -7.255 9.862 7.235 458 HE22 GLN 53 2HE2 GLN 53 -6.052 11.021 7.690 459 H ASN 54 H ASN 54 -5.975 10.354 0.505 460 HA ASN 54 HA ASN 54 -7.563 12.290 -0.903 461 HB2 ASN 54 2HB ASN 54 -4.869 11.084 -1.698 462 HB3 ASN 54 1HB ASN 54 -5.561 12.581 -2.318 463 HD21 ASN 54 1HD2 ASN 54 -3.001 12.093 -0.950 464 HD22 ASN 54 2HD2 ASN 54 -2.991 13.130 0.433 465 H ARG 55 H ARG 55 -6.709 8.927 -1.399 466 HA ARG 55 HA ARG 55 -7.111 8.836 -4.243 467 HE ARG 55 HE ARG 55 -5.469 3.662 -5.744 468 HB2 ARG 55 2HB ARG 55 -5.498 7.360 -3.060 469 HB3 ARG 55 1HB ARG 55 -6.829 6.591 -2.194 470 HG2 ARG 55 2HG ARG 55 -7.733 5.800 -4.397 471 HG3 ARG 55 1HG ARG 55 -6.299 6.468 -5.185 472 HD2 ARG 55 2HD ARG 55 -4.869 4.923 -3.921 473 HD3 ARG 55 1HD ARG 55 -6.274 4.307 -3.041 474 HH11 ARG 55 1HH1 ARG 55 -8.165 3.594 -3.472 475 HH12 ARG 55 2HH1 ARG 55 -9.041 2.406 -4.379 476 HH21 ARG 55 1HH2 ARG 55 -6.634 2.098 -6.901 477 HH22 ARG 55 2HH2 ARG 55 -8.169 1.551 -6.304 478 H GLU 56 H GLU 56 -9.026 7.752 -1.414 479 HA GLU 56 HA GLU 56 -11.013 6.437 -3.026 480 HB2 GLU 56 2HB GLU 56 -11.337 7.242 -0.116 481 HB3 GLU 56 1HB GLU 56 -12.216 5.985 -0.984 482 HG2 GLU 56 2HG GLU 56 -9.354 5.965 -0.023 483 HG3 GLU 56 1HG GLU 56 -10.659 4.877 0.412 484 H ARG 57 H ARG 57 -10.610 9.676 -1.771 485 HA ARG 57 HA ARG 57 -13.233 10.676 -2.149 486 HE ARG 57 HE ARG 57 -10.195 14.365 -3.135 487 HB2 ARG 57 2HB ARG 57 -11.415 11.896 -0.927 488 HB3 ARG 57 1HB ARG 57 -10.590 12.179 -2.457 489 HG2 ARG 57 2HG ARG 57 -12.564 13.508 -3.236 490 HG3 ARG 57 1HG ARG 57 -13.325 13.250 -1.665 491 HD2 ARG 57 2HD ARG 57 -12.320 15.465 -1.747 492 HD3 ARG 57 1HD ARG 57 -11.457 14.464 -0.577 493 HH11 ARG 57 1HH1 ARG 57 -10.533 16.453 -0.323 494 HH12 ARG 57 2HH1 ARG 57 -9.030 17.269 -0.592 495 HH21 ARG 57 1HH2 ARG 57 -8.236 15.420 -3.473 496 HH22 ARG 57 2HH2 ARG 57 -7.708 16.674 -2.400 497 H GLN 58 H GLN 58 -10.615 10.014 -4.400 498 HA GLN 58 HA GLN 58 -11.780 11.248 -6.709 499 HB2 GLN 58 2HB GLN 58 -9.641 9.090 -6.443 500 HB3 GLN 58 1HB GLN 58 -10.110 9.810 -7.977 501 HG2 GLN 58 2HG GLN 58 -8.985 11.420 -5.665 502 HG3 GLN 58 1HG GLN 58 -7.989 10.697 -6.930 503 HE21 GLN 58 1HE2 GLN 58 -7.238 12.734 -7.599 504 HE22 GLN 58 2HE2 GLN 58 -8.228 13.842 -8.484 505 H GLU 59 H GLU 59 -13.976 10.433 -6.349 506 HA GLU 59 HA GLU 59 -14.464 7.731 -7.432 507 HB2 GLU 59 2HB GLU 59 -15.641 8.397 -5.295 508 HB3 GLU 59 1HB GLU 59 -16.454 9.686 -6.177 509 HG2 GLU 59 2HG GLU 59 -17.453 7.922 -7.672 510 HG3 GLU 59 1HG GLU 59 -16.746 6.701 -6.621 511 H GLN 60 H GLN 60 -13.898 8.191 -9.528 512 HA GLN 60 HA GLN 60 -15.138 10.427 -10.977 513 HB2 GLN 60 2HB GLN 60 -12.683 10.138 -11.111 514 HB3 GLN 60 1HB GLN 60 -12.889 8.513 -11.750 515 HG2 GLN 60 2HG GLN 60 -13.921 9.450 -13.793 516 HG3 GLN 60 1HG GLN 60 -13.721 11.078 -13.144 517 HE21 GLN 60 1HE2 GLN 60 -12.388 11.712 -14.883 518 HE22 GLN 60 2HE2 GLN 60 -10.763 11.151 -15.060 Start of MODEL 2 1 H1 GLY 1 1HT GLY 1 27.265 -1.913 0.186 2 H2 GLY 1 2HT GLY 1 28.059 -1.671 1.658 3 H3 GLY 1 3HT GLY 1 26.668 -0.781 1.284 4 HA2 GLY 1 1HA GLY 1 26.770 -3.716 1.680 5 HA3 GLY 1 2HA GLY 1 26.180 -2.553 2.861 6 H SER 2 H SER 2 24.225 -3.998 2.642 7 HA SER 2 HA SER 2 22.489 -3.674 0.358 8 HG SER 2 HG SER 2 19.946 -5.408 2.271 9 HB2 SER 2 2HB SER 2 22.241 -5.660 1.802 10 HB3 SER 2 1HB SER 2 21.855 -4.645 3.193 11 H GLU 3 H GLU 3 22.431 -1.495 -0.008 12 HA GLU 3 HA GLU 3 21.310 0.296 2.068 13 HB2 GLU 3 2HB GLU 3 23.129 0.910 -0.310 14 HB3 GLU 3 1HB GLU 3 22.452 2.128 0.776 15 HG2 GLU 3 2HG GLU 3 23.637 1.189 2.669 16 HG3 GLU 3 1HG GLU 3 24.225 -0.156 1.696 17 H HIS 4 H HIS 4 20.446 -1.335 -0.694 18 HA HIS 4 HA HIS 4 18.323 0.543 -1.474 19 HD1 HIS 4 1HD HIS 4 20.733 -2.470 -4.125 20 HD2 HIS 4 2HD HIS 4 19.398 1.446 -3.746 21 HE1 HIS 4 1HE HIS 4 22.220 -1.114 -5.628 22 HE2 HIS 4 2HE HIS 4 21.443 1.266 -5.321 23 HB2 HIS 4 2HB HIS 4 18.891 -2.288 -2.487 24 HB3 HIS 4 1HB HIS 4 17.703 -1.177 -3.163 25 H VAL 5 H VAL 5 17.839 0.391 0.932 26 HA VAL 5 HA VAL 5 16.599 -1.978 1.995 27 HB VAL 5 HB VAL 5 15.979 -0.495 3.949 28 HG11 VAL 5 1HG1 VAL 5 18.121 -1.693 3.956 29 HG12 VAL 5 2HG1 VAL 5 18.310 -0.123 4.737 30 HG13 VAL 5 3HG1 VAL 5 18.904 -0.365 3.091 31 HG21 VAL 5 3HG2 VAL 5 17.387 1.713 2.374 32 HG22 VAL 5 1HG2 VAL 5 16.844 1.838 4.053 33 HG23 VAL 5 2HG2 VAL 5 15.664 1.651 2.755 34 H PHE 6 H PHE 6 14.415 -2.414 2.246 35 HA PHE 6 HA PHE 6 12.662 -1.113 0.324 36 HD1 PHE 6 1HD PHE 6 14.119 -4.738 2.015 37 HD2 PHE 6 2HD PHE 6 10.180 -3.420 3.020 38 HE1 PHE 6 1HE PHE 6 14.124 -6.193 4.001 39 HE2 PHE 6 2HE PHE 6 10.196 -4.875 4.997 40 HZ PHE 6 HZ PHE 6 12.166 -6.263 5.486 41 HB2 PHE 6 2HB PHE 6 11.100 -2.988 0.772 42 HB3 PHE 6 1HB PHE 6 12.699 -3.560 0.333 43 H ALA 7 H ALA 7 11.126 0.301 0.786 44 HA ALA 7 HA ALA 7 9.719 0.365 3.350 45 HB1 ALA 7 1HB ALA 7 11.127 2.832 2.231 46 HB2 ALA 7 2HB ALA 7 11.556 1.976 3.713 47 HB3 ALA 7 3HB ALA 7 10.013 2.823 3.605 48 H VAL 8 H VAL 8 7.579 0.869 3.038 49 HA VAL 8 HA VAL 8 6.536 1.070 0.376 50 HB VAL 8 HB VAL 8 5.000 1.579 2.964 51 HG11 VAL 8 1HG1 VAL 8 3.016 0.926 1.605 52 HG12 VAL 8 2HG1 VAL 8 4.048 0.744 0.186 53 HG13 VAL 8 3HG1 VAL 8 3.827 2.336 0.914 54 HG21 VAL 8 3HG2 VAL 8 4.344 -0.805 2.902 55 HG22 VAL 8 1HG2 VAL 8 6.093 -0.633 3.086 56 HG23 VAL 8 2HG2 VAL 8 5.407 -1.069 1.519 57 H GLU 9 H GLU 9 5.703 2.851 -0.651 58 HA GLU 9 HA GLU 9 6.658 5.489 0.281 59 HB2 GLU 9 2HB GLU 9 7.694 4.670 -1.815 60 HB3 GLU 9 1HB GLU 9 6.112 4.432 -2.535 61 HG2 GLU 9 2HG GLU 9 7.040 6.409 -3.479 62 HG3 GLU 9 1HG GLU 9 5.739 6.918 -2.406 63 H SER 10 H SER 10 3.923 3.689 -1.037 64 HA SER 10 HA SER 10 1.956 5.507 -0.037 65 HG SER 10 HG SER 10 0.696 7.340 -2.170 66 HB2 SER 10 2HB SER 10 2.699 6.778 -2.084 67 HB3 SER 10 1HB SER 10 2.296 5.385 -3.081 68 H ILE 11 H ILE 11 -0.212 4.720 -0.438 69 HA ILE 11 HA ILE 11 -0.522 1.910 -1.179 70 HB ILE 11 HB ILE 11 -2.512 4.064 -0.283 71 HG12 ILE 11 2HG1 ILE 11 -1.512 1.550 1.136 72 HG13 ILE 11 1HG1 ILE 11 -0.965 3.190 1.481 73 HG21 ILE 11 1HG2 ILE 11 -4.243 2.294 -0.172 74 HG22 ILE 11 2HG2 ILE 11 -3.125 1.144 -0.905 75 HG23 ILE 11 3HG2 ILE 11 -3.682 2.541 -1.828 76 HD11 ILE 11 3HD1 ILE 11 -3.244 3.771 2.208 77 HD12 ILE 11 1HD1 ILE 11 -2.551 2.443 3.134 78 HD13 ILE 11 2HD1 ILE 11 -3.754 2.108 1.893 79 H GLU 12 H GLU 12 -0.935 1.348 -3.249 80 HA GLU 12 HA GLU 12 -1.322 3.263 -5.374 81 HB2 GLU 12 2HB GLU 12 -1.174 0.208 -5.401 82 HB3 GLU 12 1HB GLU 12 -1.226 1.226 -6.838 83 HG2 GLU 12 2HG GLU 12 0.978 1.373 -4.758 84 HG3 GLU 12 1HG GLU 12 1.052 0.341 -6.185 85 H LYS 13 H LYS 13 -3.064 0.378 -4.193 86 HA LYS 13 HA LYS 13 -5.597 1.375 -5.370 87 HB2 LYS 13 2HB LYS 13 -4.562 -1.496 -5.276 88 HB3 LYS 13 1HB LYS 13 -6.170 -1.013 -5.825 89 HG2 LYS 13 2HG LYS 13 -5.115 0.281 -7.680 90 HG3 LYS 13 1HG LYS 13 -3.528 -0.293 -7.142 91 HD2 LYS 13 2HD LYS 13 -4.274 -2.640 -7.527 92 HD3 LYS 13 1HD LYS 13 -5.834 -2.038 -8.100 93 HE2 LYS 13 2HE LYS 13 -3.143 -1.464 -9.397 94 HE3 LYS 13 1HE LYS 13 -4.338 -2.633 -9.965 95 HZ1 LYS 13 3HZ LYS 13 -4.458 -0.542 -11.178 96 HZ2 LYS 13 1HZ LYS 13 -4.775 0.300 -9.751 97 HZ3 LYS 13 2HZ LYS 13 -5.893 -0.827 -10.334 98 H LYS 14 H LYS 14 -7.482 0.805 -4.309 99 HA LYS 14 HA LYS 14 -7.299 -0.196 -1.526 100 HB2 LYS 14 2HB LYS 14 -7.804 2.303 -1.804 101 HB3 LYS 14 1HB LYS 14 -9.276 1.873 -2.657 102 HG2 LYS 14 2HG LYS 14 -8.693 1.182 0.254 103 HG3 LYS 14 1HG LYS 14 -9.605 2.591 -0.273 104 HD2 LYS 14 2HD LYS 14 -11.264 0.995 -1.349 105 HD3 LYS 14 1HD LYS 14 -10.392 -0.335 -0.582 106 HE2 LYS 14 2HE LYS 14 -12.289 0.172 0.801 107 HE3 LYS 14 1HE LYS 14 -10.870 0.785 1.656 108 HZ1 LYS 14 3HZ LYS 14 -12.741 2.394 0.004 109 HZ2 LYS 14 1HZ LYS 14 -11.385 2.992 0.803 110 HZ3 LYS 14 2HZ LYS 14 -12.681 2.376 1.698 111 H ARG 15 H ARG 15 -8.526 -2.010 -1.184 112 HA ARG 15 HA ARG 15 -11.098 -2.352 -2.458 113 HE ARG 15 HE ARG 15 -9.772 -6.627 -2.819 114 HB2 ARG 15 2HB ARG 15 -10.528 -4.758 -3.225 115 HB3 ARG 15 1HB ARG 15 -9.947 -3.435 -4.218 116 HG2 ARG 15 2HG ARG 15 -8.174 -4.987 -4.144 117 HG3 ARG 15 1HG ARG 15 -7.689 -3.686 -3.066 118 HD2 ARG 15 2HD ARG 15 -7.095 -5.866 -2.129 119 HD3 ARG 15 1HD ARG 15 -8.312 -5.083 -1.117 120 HH11 ARG 15 1HH1 ARG 15 -7.102 -7.455 -0.694 121 HH12 ARG 15 2HH1 ARG 15 -7.720 -9.037 -0.369 122 HH21 ARG 15 1HH2 ARG 15 -10.508 -8.696 -2.419 123 HH22 ARG 15 2HH2 ARG 15 -9.644 -9.732 -1.330 124 H ILE 16 H ILE 16 -12.401 -3.940 -1.481 125 HA ILE 16 HA ILE 16 -11.492 -5.084 1.093 126 HB ILE 16 HB ILE 16 -14.115 -3.547 0.665 127 HG12 ILE 16 2HG1 ILE 16 -11.813 -3.158 2.596 128 HG13 ILE 16 1HG1 ILE 16 -12.143 -2.139 1.200 129 HG21 ILE 16 1HG2 ILE 16 -13.317 -5.235 3.085 130 HG22 ILE 16 2HG2 ILE 16 -14.617 -5.598 1.946 131 HG23 ILE 16 3HG2 ILE 16 -14.736 -4.187 2.995 132 HD11 ILE 16 3HD1 ILE 16 -12.774 -1.047 3.250 133 HD12 ILE 16 1HD1 ILE 16 -13.829 -2.389 3.693 134 HD13 ILE 16 2HD1 ILE 16 -14.215 -1.382 2.292 135 H ARG 17 H ARG 17 -11.927 -7.155 1.231 136 HA ARG 17 HA ARG 17 -14.407 -8.289 0.331 137 HE ARG 17 HE ARG 17 -14.603 -9.541 -3.323 138 HB2 ARG 17 2HB ARG 17 -13.033 -8.501 -1.733 139 HB3 ARG 17 1HB ARG 17 -11.779 -9.339 -0.831 140 HG2 ARG 17 2HG ARG 17 -13.148 -11.288 -0.546 141 HG3 ARG 17 1HG ARG 17 -14.593 -10.442 -1.103 142 HD2 ARG 17 2HD ARG 17 -12.166 -11.051 -2.845 143 HD3 ARG 17 1HD ARG 17 -13.664 -11.991 -2.812 144 HH11 ARG 17 1HH1 ARG 17 -11.983 -11.273 -4.884 145 HH12 ARG 17 2HH1 ARG 17 -12.266 -10.527 -6.419 146 HH21 ARG 17 1HH2 ARG 17 -14.932 -8.572 -5.324 147 HH22 ARG 17 2HH2 ARG 17 -13.936 -9.016 -6.669 148 H LYS 18 H LYS 18 -14.859 -10.308 1.326 149 HA LYS 18 HA LYS 18 -14.935 -11.838 2.971 150 HB2 LYS 18 2HB LYS 18 -12.693 -12.488 1.913 151 HB3 LYS 18 1HB LYS 18 -11.906 -11.580 3.188 152 HG2 LYS 18 2HG LYS 18 -11.760 -13.837 3.838 153 HG3 LYS 18 1HG LYS 18 -13.031 -13.167 4.856 154 HD2 LYS 18 2HD LYS 18 -13.668 -14.657 2.285 155 HD3 LYS 18 1HD LYS 18 -13.368 -15.525 3.787 156 HE2 LYS 18 2HE LYS 18 -15.572 -13.469 3.367 157 HE3 LYS 18 1HE LYS 18 -15.789 -15.218 3.346 158 HZ1 LYS 18 3HZ LYS 18 -14.907 -13.588 5.672 159 HZ2 LYS 18 1HZ LYS 18 -15.016 -15.274 5.658 160 HZ3 LYS 18 2HZ LYS 18 -16.410 -14.336 5.485 161 H GLY 19 H GLY 19 -15.215 -9.020 3.517 162 HA2 GLY 19 2HA GLY 19 -15.687 -7.662 5.298 163 HA3 GLY 19 1HA GLY 19 -15.339 -9.016 6.360 164 H ARG 20 H ARG 20 -12.889 -7.943 4.114 165 HA ARG 20 HA ARG 20 -11.351 -6.598 6.239 166 HE ARG 20 HE ARG 20 -10.785 -11.384 8.232 167 HB2 ARG 20 2HB ARG 20 -10.331 -8.949 4.577 168 HB3 ARG 20 1HB ARG 20 -9.337 -7.946 5.634 169 HG2 ARG 20 2HG ARG 20 -10.664 -8.722 7.593 170 HG3 ARG 20 1HG ARG 20 -11.606 -9.767 6.519 171 HD2 ARG 20 2HD ARG 20 -9.559 -11.002 5.917 172 HD3 ARG 20 1HD ARG 20 -8.604 -9.926 6.951 173 HH11 ARG 20 1HH1 ARG 20 -7.334 -11.203 7.639 174 HH12 ARG 20 2HH1 ARG 20 -6.936 -12.306 8.914 175 HH21 ARG 20 1HH2 ARG 20 -10.257 -12.831 9.886 176 HH22 ARG 20 2HH2 ARG 20 -8.596 -13.229 10.188 177 H VAL 21 H VAL 21 -9.927 -5.053 5.508 178 HA VAL 21 HA VAL 21 -10.007 -4.386 2.637 179 HB VAL 21 HB VAL 21 -10.633 -2.621 4.310 180 HG11 VAL 21 1HG1 VAL 21 -7.714 -2.689 5.140 181 HG12 VAL 21 2HG1 VAL 21 -9.090 -3.181 6.130 182 HG13 VAL 21 3HG1 VAL 21 -8.904 -1.490 5.657 183 HG21 VAL 21 3HG2 VAL 21 -8.206 -1.980 2.594 184 HG22 VAL 21 1HG2 VAL 21 -9.333 -0.786 3.249 185 HG23 VAL 21 2HG2 VAL 21 -9.889 -1.974 2.067 186 H GLU 22 H GLU 22 -8.139 -4.140 1.426 187 HA GLU 22 HA GLU 22 -5.522 -4.695 2.617 188 HB2 GLU 22 2HB GLU 22 -6.378 -6.904 1.865 189 HB3 GLU 22 1HB GLU 22 -6.642 -6.263 0.246 190 HG2 GLU 22 2HG GLU 22 -4.231 -5.943 -0.044 191 HG3 GLU 22 1HG GLU 22 -3.949 -6.502 1.609 192 H TYR 23 H TYR 23 -3.834 -3.795 1.482 193 HA TYR 23 HA TYR 23 -4.559 -1.796 -0.585 194 HD1 TYR 23 2HD TYR 23 -5.815 -0.100 0.231 195 HD2 TYR 23 1HD TYR 23 -3.609 -0.819 3.822 196 HE1 TYR 23 2HE TYR 23 -7.656 0.810 1.567 197 HE2 TYR 23 1HE TYR 23 -5.471 0.081 5.146 198 HH TYR 23 HH TYR 23 -7.389 1.666 4.769 199 HB2 TYR 23 2HB TYR 23 -2.641 -1.449 1.767 200 HB3 TYR 23 1HB TYR 23 -2.984 -0.242 0.531 201 H LEU 24 H LEU 24 -3.214 -1.673 -2.293 202 HA LEU 24 HA LEU 24 -0.967 -3.478 -2.584 203 HG LEU 24 HG LEU 24 0.247 -1.994 -5.186 204 HB2 LEU 24 2HB LEU 24 -2.576 -2.870 -4.441 205 HB3 LEU 24 1HB LEU 24 -1.935 -1.238 -4.413 206 HD11 LEU 24 1HD1 LEU 24 -0.827 -4.825 -5.089 207 HD12 LEU 24 2HD1 LEU 24 0.406 -4.134 -4.030 208 HD13 LEU 24 3HD1 LEU 24 0.731 -4.324 -5.749 209 HD21 LEU 24 3HD2 LEU 24 -0.332 -2.788 -7.434 210 HD22 LEU 24 1HD2 LEU 24 -1.448 -1.528 -6.905 211 HD23 LEU 24 2HD2 LEU 24 -1.954 -3.221 -6.884 212 H VAL 25 H VAL 25 0.990 -2.978 -1.718 213 HA VAL 25 HA VAL 25 1.592 -0.250 -0.839 214 HB VAL 25 HB VAL 25 3.462 -1.180 0.362 215 HG11 VAL 25 1HG1 VAL 25 1.106 -3.081 0.653 216 HG12 VAL 25 2HG1 VAL 25 1.284 -1.502 1.424 217 HG13 VAL 25 3HG1 VAL 25 2.381 -2.815 1.851 218 HG21 VAL 25 3HG2 VAL 25 4.397 -2.742 -1.267 219 HG22 VAL 25 1HG2 VAL 25 3.021 -3.826 -1.072 220 HG23 VAL 25 2HG2 VAL 25 4.144 -3.576 0.266 221 H LYS 26 H LYS 26 3.219 1.009 -1.678 222 HA LYS 26 HA LYS 26 4.340 0.186 -4.281 223 HB2 LYS 26 2HB LYS 26 2.924 2.269 -4.124 224 HB3 LYS 26 1HB LYS 26 4.115 2.966 -3.032 225 HG2 LYS 26 2HG LYS 26 4.352 3.808 -5.330 226 HG3 LYS 26 1HG LYS 26 5.798 2.955 -4.786 227 HD2 LYS 26 2HD LYS 26 5.392 1.092 -6.194 228 HD3 LYS 26 1HD LYS 26 3.687 1.493 -6.408 229 HE2 LYS 26 2HE LYS 26 6.010 3.084 -7.551 230 HE3 LYS 26 1HE LYS 26 5.008 1.942 -8.450 231 HZ1 LYS 26 3HZ LYS 26 4.252 4.174 -8.828 232 HZ2 LYS 26 1HZ LYS 26 4.101 4.455 -7.165 233 HZ3 LYS 26 2HZ LYS 26 3.082 3.350 -7.930 234 H TRP 27 H TRP 27 6.184 -0.941 -3.713 235 HA TRP 27 HA TRP 27 7.996 -0.136 -1.660 236 HD1 TRP 27 HD TRP 27 6.757 -4.133 -3.376 237 HE1 TRP 27 1HE TRP 27 6.032 -5.350 -1.243 238 HE3 TRP 27 3HE TRP 27 9.075 -1.173 0.088 239 HZ2 TRP 27 2HZ TRP 27 6.362 -5.093 1.531 240 HZ3 TRP 27 3HZ TRP 27 8.799 -1.720 2.468 241 HH2 TRP 27 HH TRP 27 7.471 -3.646 3.175 242 HB2 TRP 27 2HB TRP 27 8.298 -2.122 -3.954 243 HB3 TRP 27 1HB TRP 27 9.543 -1.863 -2.733 244 H ARG 28 H ARG 28 9.309 1.550 -1.725 245 HA ARG 28 HA ARG 28 9.829 3.092 -4.067 246 HE ARG 28 HE ARG 28 12.478 4.418 -0.273 247 HB2 ARG 28 2HB ARG 28 9.653 4.045 -1.751 248 HB3 ARG 28 1HB ARG 28 11.173 3.256 -1.342 249 HG2 ARG 28 2HG ARG 28 12.302 4.617 -3.135 250 HG3 ARG 28 1HG ARG 28 10.778 5.471 -3.388 251 HD2 ARG 28 2HD ARG 28 12.221 6.805 -1.976 252 HD3 ARG 28 1HD ARG 28 10.857 6.240 -1.010 253 HH11 ARG 28 1HH1 ARG 28 13.579 7.663 -1.048 254 HH12 ARG 28 2HH1 ARG 28 14.939 7.580 0.019 255 HH21 ARG 28 1HH2 ARG 28 14.271 4.312 1.090 256 HH22 ARG 28 2HH2 ARG 28 15.325 5.679 1.232 257 H GLY 29 H GLY 29 11.474 2.940 -5.496 258 HA2 GLY 29 2HA GLY 29 13.632 2.433 -6.309 259 HA3 GLY 29 1HA GLY 29 13.919 1.390 -4.925 260 H TRP 30 H TRP 30 10.925 0.551 -5.791 261 HA TRP 30 HA TRP 30 11.734 -1.511 -7.763 262 HD1 TRP 30 HD TRP 30 11.778 -1.289 -3.626 263 HE1 TRP 30 1HE TRP 30 13.729 -2.751 -2.823 264 HE3 TRP 30 3HE TRP 30 11.721 -4.847 -7.315 265 HZ2 TRP 30 2HZ TRP 30 15.073 -5.095 -3.624 266 HZ3 TRP 30 3HZ TRP 30 13.373 -6.665 -7.221 267 HH2 TRP 30 HH TRP 30 15.019 -6.792 -5.407 268 HB2 TRP 30 2HB TRP 30 9.769 -1.800 -5.436 269 HB3 TRP 30 1HB TRP 30 10.098 -3.036 -6.648 270 H SER 31 H SER 31 10.326 -1.899 -9.440 271 HA SER 31 HA SER 31 8.537 0.133 -10.266 272 HG SER 31 HG SER 31 10.342 -0.423 -11.828 273 HB2 SER 31 2HB SER 31 8.746 -2.713 -11.341 274 HB3 SER 31 1HB SER 31 8.128 -1.295 -12.210 275 HA PRO 32 HA PRO 32 4.586 -1.223 -8.471 276 HB2 PRO 32 2HB PRO 32 2.781 -0.390 -10.362 277 HB3 PRO 32 1HB PRO 32 3.641 0.729 -9.292 278 HG2 PRO 32 2HG PRO 32 4.296 -0.062 -12.133 279 HG3 PRO 32 1HG PRO 32 4.234 1.564 -11.422 280 HD2 PRO 32 2HD PRO 32 6.575 0.264 -11.776 281 HD3 PRO 32 1HD PRO 32 6.311 1.314 -10.362 282 H LYS 33 H LYS 33 6.041 -3.023 -10.748 283 HA LYS 33 HA LYS 33 3.870 -5.006 -10.937 284 HB2 LYS 33 2HB LYS 33 5.417 -6.246 -12.438 285 HB3 LYS 33 1HB LYS 33 5.078 -4.615 -13.010 286 HG2 LYS 33 2HG LYS 33 7.284 -3.866 -12.098 287 HG3 LYS 33 1HG LYS 33 7.617 -5.527 -11.610 288 HD2 LYS 33 2HD LYS 33 8.769 -5.049 -13.701 289 HD3 LYS 33 1HD LYS 33 7.494 -6.237 -13.996 290 HE2 LYS 33 2HE LYS 33 6.030 -4.407 -14.855 291 HE3 LYS 33 1HE LYS 33 7.347 -3.256 -14.607 292 HZ1 LYS 33 3HZ LYS 33 7.414 -5.603 -16.422 293 HZ2 LYS 33 1HZ LYS 33 8.672 -4.502 -16.187 294 HZ3 LYS 33 2HZ LYS 33 7.221 -3.990 -16.889 295 H TYR 34 H TYR 34 6.857 -4.311 -9.250 296 HA TYR 34 HA TYR 34 7.206 -7.015 -8.171 297 HD1 TYR 34 1HD TYR 34 8.856 -7.618 -9.612 298 HD2 TYR 34 2HD TYR 34 10.349 -3.656 -9.073 299 HE1 TYR 34 1HE TYR 34 10.077 -7.799 -11.729 300 HE2 TYR 34 2HE TYR 34 11.578 -3.830 -11.193 301 HH TYR 34 HH TYR 34 12.422 -5.423 -12.713 302 HB2 TYR 34 2HB TYR 34 8.788 -4.481 -7.530 303 HB3 TYR 34 1HB TYR 34 9.256 -6.130 -7.136 304 H ASN 35 H ASN 35 5.257 -4.488 -7.473 305 HA ASN 35 HA ASN 35 5.525 -4.181 -4.633 306 HB2 ASN 35 2HB ASN 35 3.633 -2.658 -4.888 307 HB3 ASN 35 1HB ASN 35 4.834 -2.333 -6.120 308 HD21 ASN 35 1HD2 ASN 35 2.317 -1.351 -6.346 309 HD22 ASN 35 2HD2 ASN 35 1.492 -2.133 -7.649 310 H THR 36 H THR 36 3.892 -4.766 -3.051 311 HA THR 36 HA THR 36 2.568 -7.345 -3.697 312 HB THR 36 HB THR 36 3.104 -7.991 -1.302 313 HG1 THR 36 1HG THR 36 3.606 -6.121 -0.267 314 HG21 THR 36 3HG2 THR 36 5.477 -8.567 -1.738 315 HG22 THR 36 1HG2 THR 36 5.505 -7.428 -3.086 316 HG23 THR 36 2HG2 THR 36 4.477 -8.862 -3.164 317 H TRP 37 H TRP 37 0.662 -7.870 -2.604 318 HA TRP 37 HA TRP 37 -0.994 -5.641 -1.664 319 HD1 TRP 37 HD TRP 37 -1.049 -8.200 -4.919 320 HE1 TRP 37 1HE TRP 37 -2.268 -6.884 -6.755 321 HE3 TRP 37 3HE TRP 37 -4.079 -5.315 -1.976 322 HZ2 TRP 37 2HZ TRP 37 -4.239 -4.883 -6.947 323 HZ3 TRP 37 3HZ TRP 37 -5.597 -3.710 -3.064 324 HH2 TRP 37 HH TRP 37 -5.670 -3.502 -5.500 325 HB2 TRP 37 2HB TRP 37 -1.579 -8.565 -2.307 326 HB3 TRP 37 1HB TRP 37 -2.779 -7.505 -1.585 327 H GLU 38 H GLU 38 -1.102 -5.160 0.430 328 HA GLU 38 HA GLU 38 -0.775 -7.200 2.506 329 HB2 GLU 38 2HB GLU 38 0.754 -4.557 2.405 330 HB3 GLU 38 1HB GLU 38 0.688 -5.619 3.813 331 HG2 GLU 38 2HG GLU 38 1.757 -7.423 2.486 332 HG3 GLU 38 1HG GLU 38 1.854 -6.335 1.103 333 HA PRO 39 HA PRO 39 -4.554 -5.231 3.961 334 HB2 PRO 39 2HB PRO 39 -4.648 -6.413 6.465 335 HB3 PRO 39 1HB PRO 39 -5.082 -7.238 4.965 336 HG2 PRO 39 2HG PRO 39 -2.462 -7.289 6.458 337 HG3 PRO 39 1HG PRO 39 -3.404 -8.655 5.812 338 HD2 PRO 39 2HD PRO 39 -1.305 -7.708 4.461 339 HD3 PRO 39 1HD PRO 39 -2.776 -8.198 3.592 340 H GLU 40 H GLU 40 -5.373 -4.099 6.005 341 HA GLU 40 HA GLU 40 -3.789 -1.768 6.439 342 HB2 GLU 40 2HB GLU 40 -6.316 -1.881 6.337 343 HB3 GLU 40 1HB GLU 40 -6.303 -2.623 7.931 344 HG2 GLU 40 2HG GLU 40 -5.169 -0.541 8.801 345 HG3 GLU 40 1HG GLU 40 -5.391 0.178 7.208 346 H GLU 41 H GLU 41 -4.159 -4.745 8.234 347 HA GLU 41 HA GLU 41 -3.118 -3.876 10.748 348 HB2 GLU 41 2HB GLU 41 -2.739 -6.297 11.210 349 HB3 GLU 41 1HB GLU 41 -4.363 -5.963 10.613 350 HG2 GLU 41 2HG GLU 41 -3.592 -6.701 8.325 351 HG3 GLU 41 1HG GLU 41 -2.066 -7.196 9.061 352 H ASN 42 H ASN 42 -1.634 -4.727 7.686 353 HA ASN 42 HA ASN 42 1.097 -4.575 8.708 354 HB2 ASN 42 2HB ASN 42 0.091 -4.608 5.814 355 HB3 ASN 42 1HB ASN 42 1.783 -4.703 6.306 356 HD21 ASN 42 1HD2 ASN 42 2.126 -6.691 5.365 357 HD22 ASN 42 2HD2 ASN 42 1.412 -8.155 5.932 358 H ILE 43 H ILE 43 -1.202 -2.570 6.921 359 HA ILE 43 HA ILE 43 0.566 -0.275 6.695 360 HB ILE 43 HB ILE 43 -2.409 -0.459 6.007 361 HG12 ILE 43 2HG1 ILE 43 -1.153 -2.152 4.709 362 HG13 ILE 43 1HG1 ILE 43 -1.693 -0.854 3.652 363 HG21 ILE 43 1HG2 ILE 43 -1.976 1.490 4.556 364 HG22 ILE 43 2HG2 ILE 43 -0.293 1.531 5.087 365 HG23 ILE 43 3HG2 ILE 43 -1.589 1.857 6.239 366 HD11 ILE 43 3HD1 ILE 43 1.111 -1.195 4.732 367 HD12 ILE 43 1HD1 ILE 43 0.566 0.087 3.644 368 HD13 ILE 43 2HD1 ILE 43 0.550 -1.590 3.113 369 H LEU 44 H LEU 44 0.869 -0.309 9.055 370 HA LEU 44 HA LEU 44 -1.224 1.021 10.642 371 HG LEU 44 HG LEU 44 0.108 -0.715 13.664 372 HB2 LEU 44 2HB LEU 44 0.651 -0.955 11.303 373 HB3 LEU 44 1HB LEU 44 1.414 0.480 11.949 374 HD11 LEU 44 1HD1 LEU 44 -1.232 1.130 14.564 375 HD12 LEU 44 2HD1 LEU 44 -1.145 1.964 13.007 376 HD13 LEU 44 3HD1 LEU 44 0.323 1.690 13.946 377 HD21 LEU 44 3HD2 LEU 44 -2.338 -0.900 13.543 378 HD22 LEU 44 1HD2 LEU 44 -1.561 -1.750 12.206 379 HD23 LEU 44 2HD2 LEU 44 -2.325 -0.182 11.928 380 H ASP 45 H ASP 45 1.463 1.750 8.709 381 HA ASP 45 HA ASP 45 2.512 4.054 10.018 382 HB2 ASP 45 2HB ASP 45 3.835 2.738 8.402 383 HB3 ASP 45 1HB ASP 45 2.711 3.150 7.112 384 HA PRO 46 HA PRO 46 -1.066 6.618 9.019 385 HB2 PRO 46 2HB PRO 46 0.586 8.902 10.033 386 HB3 PRO 46 1HB PRO 46 -0.971 8.294 10.611 387 HG2 PRO 46 2HG PRO 46 1.267 7.870 12.012 388 HG3 PRO 46 1HG PRO 46 0.023 6.603 11.904 389 HD2 PRO 46 2HD PRO 46 2.607 6.864 10.340 390 HD3 PRO 46 1HD PRO 46 1.929 5.434 11.160 391 H ARG 47 H ARG 47 2.143 7.380 7.738 392 HA ARG 47 HA ARG 47 1.370 9.480 5.944 393 HE ARG 47 HE ARG 47 4.838 11.302 8.356 394 HB2 ARG 47 2HB ARG 47 3.725 7.550 5.790 395 HB3 ARG 47 1HB ARG 47 3.521 8.947 4.737 396 HG2 ARG 47 2HG ARG 47 3.832 9.080 7.762 397 HG3 ARG 47 1HG ARG 47 5.134 9.331 6.592 398 HD2 ARG 47 2HD ARG 47 3.898 11.251 5.641 399 HD3 ARG 47 1HD ARG 47 2.612 11.012 6.831 400 HH11 ARG 47 1HH1 ARG 47 3.466 13.304 5.804 401 HH12 ARG 47 2HH1 ARG 47 4.049 14.782 6.498 402 HH21 ARG 47 1HH2 ARG 47 5.574 13.222 9.244 403 HH22 ARG 47 2HH2 ARG 47 5.267 14.730 8.444 404 H LEU 48 H LEU 48 1.450 5.975 5.717 405 HA LEU 48 HA LEU 48 0.695 5.769 2.948 406 HG LEU 48 HG LEU 48 2.760 4.262 5.017 407 HB2 LEU 48 2HB LEU 48 0.379 3.723 5.177 408 HB3 LEU 48 1HB LEU 48 0.300 3.390 3.447 409 HD11 LEU 48 1HD1 LEU 48 3.638 2.041 4.513 410 HD12 LEU 48 2HD1 LEU 48 2.132 1.603 3.700 411 HD13 LEU 48 3HD1 LEU 48 2.138 1.941 5.435 412 HD21 LEU 48 3HD2 LEU 48 2.828 5.272 2.803 413 HD22 LEU 48 1HD2 LEU 48 2.503 3.712 2.038 414 HD23 LEU 48 2HD2 LEU 48 4.016 3.979 2.908 415 H LEU 49 H LEU 49 -1.011 5.884 6.042 416 HA LEU 49 HA LEU 49 -3.634 5.297 5.085 417 HG LEU 49 HG LEU 49 -1.877 4.667 7.780 418 HB2 LEU 49 2HB LEU 49 -2.828 6.916 7.532 419 HB3 LEU 49 1HB LEU 49 -4.428 6.245 7.229 420 HD11 LEU 49 1HD1 LEU 49 -4.381 5.018 9.462 421 HD12 LEU 49 2HD1 LEU 49 -2.792 5.725 9.776 422 HD13 LEU 49 3HD1 LEU 49 -3.004 3.980 9.847 423 HD21 LEU 49 3HD2 LEU 49 -4.662 3.611 7.193 424 HD22 LEU 49 1HD2 LEU 49 -3.288 2.645 7.742 425 HD23 LEU 49 2HD2 LEU 49 -3.232 3.438 6.172 426 H ILE 50 H ILE 50 -1.732 8.273 5.201 427 HA ILE 50 HA ILE 50 -3.733 10.151 4.485 428 HB ILE 50 HB ILE 50 -0.753 10.106 3.828 429 HG12 ILE 50 2HG1 ILE 50 -2.280 11.675 5.956 430 HG13 ILE 50 1HG1 ILE 50 -1.309 10.242 6.256 431 HG21 ILE 50 1HG2 ILE 50 -0.913 12.517 3.293 432 HG22 ILE 50 2HG2 ILE 50 -2.667 12.440 3.449 433 HG23 ILE 50 3HG2 ILE 50 -1.857 11.535 2.169 434 HD11 ILE 50 3HD1 ILE 50 0.699 11.473 5.537 435 HD12 ILE 50 1HD1 ILE 50 -0.115 12.228 6.907 436 HD13 ILE 50 2HD1 ILE 50 -0.296 12.913 5.293 437 H ALA 51 H ALA 51 -1.603 8.083 2.518 438 HA ALA 51 HA ALA 51 -2.504 8.818 -0.050 439 HB1 ALA 51 1HB ALA 51 -1.539 6.695 -0.841 440 HB2 ALA 51 2HB ALA 51 -1.447 6.104 0.821 441 HB3 ALA 51 3HB ALA 51 -0.458 7.475 0.316 442 H PHE 52 H PHE 52 -3.719 6.343 2.207 443 HA PHE 52 HA PHE 52 -5.783 5.222 0.657 444 HD1 PHE 52 1HD PHE 52 -7.550 3.377 1.441 445 HD2 PHE 52 2HD PHE 52 -7.258 5.686 5.028 446 HE1 PHE 52 1HE PHE 52 -9.833 2.723 2.061 447 HE2 PHE 52 2HE PHE 52 -9.544 5.012 5.642 448 HZ PHE 52 HZ PHE 52 -10.832 3.528 4.159 449 HB2 PHE 52 2HB PHE 52 -5.227 4.088 2.666 450 HB3 PHE 52 1HB PHE 52 -5.373 5.541 3.641 451 H GLN 53 H GLN 53 -5.867 8.033 2.884 452 HA GLN 53 HA GLN 53 -8.600 8.727 2.609 453 HB2 GLN 53 2HB GLN 53 -6.202 10.533 3.170 454 HB3 GLN 53 1HB GLN 53 -7.887 11.012 3.386 455 HG2 GLN 53 2HG GLN 53 -8.175 9.390 5.165 456 HG3 GLN 53 1HG GLN 53 -6.572 8.721 4.869 457 HE21 GLN 53 1HE2 GLN 53 -8.335 11.458 6.172 458 HE22 GLN 53 2HE2 GLN 53 -7.016 12.136 7.052 459 H ASN 54 H ASN 54 -5.783 9.455 0.634 460 HA ASN 54 HA ASN 54 -7.067 11.300 -1.157 461 HB2 ASN 54 2HB ASN 54 -4.476 9.717 -1.460 462 HB3 ASN 54 1HB ASN 54 -5.003 10.986 -2.562 463 HD21 ASN 54 1HD2 ASN 54 -2.589 10.799 -0.887 464 HD22 ASN 54 2HD2 ASN 54 -2.596 12.218 0.101 465 H ARG 55 H ARG 55 -6.649 7.775 -1.071 466 HA ARG 55 HA ARG 55 -7.486 7.260 -3.778 467 HE ARG 55 HE ARG 55 -3.322 5.106 -3.563 468 HB2 ARG 55 2HB ARG 55 -7.483 5.372 -1.373 469 HB3 ARG 55 1HB ARG 55 -7.778 4.874 -3.040 470 HG2 ARG 55 2HG ARG 55 -5.208 5.964 -1.873 471 HG3 ARG 55 1HG ARG 55 -5.507 4.327 -2.452 472 HD2 ARG 55 2HD ARG 55 -5.639 5.104 -4.743 473 HD3 ARG 55 1HD ARG 55 -5.605 6.795 -4.228 474 HH11 ARG 55 1HH1 ARG 55 -4.562 7.635 -5.638 475 HH12 ARG 55 2HH1 ARG 55 -2.992 8.197 -6.102 476 HH21 ARG 55 1HH2 ARG 55 -1.256 5.847 -4.166 477 HH22 ARG 55 2HH2 ARG 55 -1.113 7.186 -5.256 478 H GLU 56 H GLU 56 -9.149 7.740 -0.746 479 HA GLU 56 HA GLU 56 -11.750 6.871 -1.562 480 HB2 GLU 56 2HB GLU 56 -11.006 8.891 0.603 481 HB3 GLU 56 1HB GLU 56 -12.562 8.078 0.431 482 HG2 GLU 56 2HG GLU 56 -9.904 6.818 1.185 483 HG3 GLU 56 1HG GLU 56 -11.319 7.033 2.214 484 H ARG 57 H ARG 57 -9.930 9.839 -1.970 485 HA ARG 57 HA ARG 57 -12.343 11.340 -2.796 486 HE ARG 57 HE ARG 57 -12.746 14.368 -0.864 487 HB2 ARG 57 2HB ARG 57 -9.616 12.410 -1.936 488 HB3 ARG 57 1HB ARG 57 -11.039 13.379 -2.319 489 HG2 ARG 57 2HG ARG 57 -10.745 11.454 0.018 490 HG3 ARG 57 1HG ARG 57 -10.740 13.219 0.104 491 HD2 ARG 57 2HD ARG 57 -13.092 11.499 -0.787 492 HD3 ARG 57 1HD ARG 57 -12.918 12.236 0.807 493 HH11 ARG 57 1HH1 ARG 57 -15.136 11.806 -0.645 494 HH12 ARG 57 2HH1 ARG 57 -16.447 12.830 -1.128 495 HH21 ARG 57 1HH2 ARG 57 -14.479 15.702 -1.464 496 HH22 ARG 57 2HH2 ARG 57 -16.075 15.033 -1.578 497 H GLN 58 H GLN 58 -9.553 9.851 -4.167 498 HA GLN 58 HA GLN 58 -8.898 11.719 -6.233 499 HB2 GLN 58 2HB GLN 58 -7.659 9.896 -7.322 500 HB3 GLN 58 1HB GLN 58 -7.334 9.924 -5.591 501 HG2 GLN 58 2HG GLN 58 -8.727 7.999 -5.210 502 HG3 GLN 58 1HG GLN 58 -9.348 8.039 -6.858 503 HE21 GLN 58 1HE2 GLN 58 -8.692 5.853 -7.089 504 HE22 GLN 58 2HE2 GLN 58 -7.041 5.439 -7.378 505 H GLU 59 H GLU 59 -11.388 9.300 -5.959 506 HA GLU 59 HA GLU 59 -12.168 9.360 -8.761 507 HB2 GLU 59 2HB GLU 59 -12.527 7.315 -7.309 508 HB3 GLU 59 1HB GLU 59 -13.624 8.255 -6.297 509 HG2 GLU 59 2HG GLU 59 -15.095 8.590 -8.299 510 HG3 GLU 59 1HG GLU 59 -14.035 7.516 -9.211 511 H GLN 60 H GLN 60 -12.872 11.359 -9.388 512 HA GLN 60 HA GLN 60 -14.951 12.713 -7.779 513 HB2 GLN 60 2HB GLN 60 -14.174 14.901 -8.592 514 HB3 GLN 60 1HB GLN 60 -12.894 14.062 -7.741 515 HG2 GLN 60 2HG GLN 60 -13.072 14.337 -10.764 516 HG3 GLN 60 1HG GLN 60 -12.109 15.373 -9.713 517 HE21 GLN 60 1HE2 GLN 60 -10.229 14.508 -8.729 518 HE22 GLN 60 2HE2 GLN 60 -9.471 13.081 -9.340 Start of MODEL 3 1 H1 GLY 1 1HT GLY 1 24.027 -5.396 -8.140 2 H2 GLY 1 2HT GLY 1 24.553 -3.804 -8.333 3 H3 GLY 1 3HT GLY 1 23.117 -4.317 -9.069 4 HA2 GLY 1 1HA GLY 1 22.632 -2.994 -7.132 5 HA3 GLY 1 2HA GLY 1 22.093 -4.656 -6.926 6 H SER 2 H SER 2 22.780 -2.639 -4.899 7 HA SER 2 HA SER 2 24.856 -4.136 -3.409 8 HG SER 2 HG SER 2 25.996 -2.870 -1.899 9 HB2 SER 2 2HB SER 2 25.770 -1.977 -4.275 10 HB3 SER 2 1HB SER 2 24.500 -1.102 -3.420 11 H GLU 3 H GLU 3 21.638 -2.910 -3.434 12 HA GLU 3 HA GLU 3 21.246 -3.575 -0.608 13 HB2 GLU 3 2HB GLU 3 20.091 -1.421 -0.120 14 HB3 GLU 3 1HB GLU 3 21.794 -1.192 -0.505 15 HG2 GLU 3 2HG GLU 3 21.286 -0.343 -2.692 16 HG3 GLU 3 1HG GLU 3 19.594 -0.812 -2.550 17 H HIS 4 H HIS 4 18.973 -3.681 -0.007 18 HA HIS 4 HA HIS 4 16.919 -3.570 -2.100 19 HD1 HIS 4 1HD HIS 4 18.974 -7.582 -1.532 20 HD2 HIS 4 2HD HIS 4 16.773 -5.373 -4.277 21 HE1 HIS 4 1HE HIS 4 19.659 -8.449 -3.788 22 HE2 HIS 4 2HE HIS 4 18.360 -7.064 -5.431 23 HB2 HIS 4 2HB HIS 4 17.410 -6.065 -0.399 24 HB3 HIS 4 1HB HIS 4 15.951 -5.794 -1.339 25 H VAL 5 H VAL 5 16.435 -1.622 -0.851 26 HA VAL 5 HA VAL 5 15.513 -1.970 1.905 27 HB VAL 5 HB VAL 5 15.166 0.501 1.946 28 HG11 VAL 5 1HG1 VAL 5 17.932 -0.341 0.988 29 HG12 VAL 5 2HG1 VAL 5 17.324 -0.474 2.641 30 HG13 VAL 5 3HG1 VAL 5 17.553 1.116 1.914 31 HG21 VAL 5 3HG2 VAL 5 15.975 1.936 0.085 32 HG22 VAL 5 1HG2 VAL 5 14.630 0.914 -0.434 33 HG23 VAL 5 2HG2 VAL 5 16.281 0.499 -0.896 34 H PHE 6 H PHE 6 13.509 -2.481 2.368 35 HA PHE 6 HA PHE 6 11.313 -2.054 0.448 36 HD1 PHE 6 2HD PHE 6 13.495 -5.102 1.762 37 HD2 PHE 6 1HD PHE 6 9.739 -4.634 -0.242 38 HE1 PHE 6 2HE PHE 6 14.138 -6.829 0.132 39 HE2 PHE 6 1HE PHE 6 10.395 -6.363 -1.862 40 HZ PHE 6 HZ PHE 6 12.592 -7.460 -1.676 41 HB2 PHE 6 2HB PHE 6 11.591 -3.912 2.844 42 HB3 PHE 6 1HB PHE 6 10.080 -3.684 1.970 43 H ALA 7 H ALA 7 10.616 -0.030 0.787 44 HA ALA 7 HA ALA 7 9.348 0.606 3.378 45 HB1 ALA 7 1HB ALA 7 11.027 2.537 1.712 46 HB2 ALA 7 2HB ALA 7 11.477 1.856 3.277 47 HB3 ALA 7 3HB ALA 7 10.105 2.958 3.161 48 H VAL 8 H VAL 8 7.263 1.263 3.107 49 HA VAL 8 HA VAL 8 6.115 1.255 0.462 50 HB VAL 8 HB VAL 8 4.742 1.981 3.087 51 HG11 VAL 8 1HG1 VAL 8 3.537 1.166 0.403 52 HG12 VAL 8 2HG1 VAL 8 3.480 2.778 1.122 53 HG13 VAL 8 3HG1 VAL 8 2.625 1.442 1.893 54 HG21 VAL 8 3HG2 VAL 8 5.678 -0.294 3.235 55 HG22 VAL 8 1HG2 VAL 8 4.886 -0.739 1.718 56 HG23 VAL 8 2HG2 VAL 8 3.917 -0.354 3.143 57 H GLU 9 H GLU 9 5.725 2.923 -0.772 58 HA GLU 9 HA GLU 9 6.554 5.620 -0.098 59 HB2 GLU 9 2HB GLU 9 7.288 4.619 -2.242 60 HB3 GLU 9 1HB GLU 9 5.620 4.354 -2.717 61 HG2 GLU 9 2HG GLU 9 6.530 6.239 -3.920 62 HG3 GLU 9 1HG GLU 9 5.259 6.792 -2.830 63 H SER 10 H SER 10 3.690 3.866 -1.254 64 HA SER 10 HA SER 10 1.789 5.560 0.015 65 HG SER 10 HG SER 10 0.413 7.457 -2.661 66 HB2 SER 10 2HB SER 10 2.538 7.042 -1.924 67 HB3 SER 10 1HB SER 10 1.935 5.806 -3.030 68 H ILE 11 H ILE 11 -0.471 4.960 -0.694 69 HA ILE 11 HA ILE 11 -0.647 2.103 -1.465 70 HB ILE 11 HB ILE 11 -2.642 3.867 0.032 71 HG12 ILE 11 2HG1 ILE 11 -1.060 1.418 0.957 72 HG13 ILE 11 1HG1 ILE 11 -0.633 3.083 1.339 73 HG21 ILE 11 1HG2 ILE 11 -2.956 0.934 -0.756 74 HG22 ILE 11 2HG2 ILE 11 -3.872 2.284 -1.429 75 HG23 ILE 11 3HG2 ILE 11 -4.066 1.849 0.269 76 HD11 ILE 11 3HD1 ILE 11 -2.700 3.316 2.619 77 HD12 ILE 11 1HD1 ILE 11 -1.713 1.980 3.205 78 HD13 ILE 11 2HD1 ILE 11 -3.140 1.651 2.221 79 H GLU 12 H GLU 12 -1.198 1.699 -3.470 80 HA GLU 12 HA GLU 12 -1.968 3.871 -5.273 81 HB2 GLU 12 2HB GLU 12 -1.047 1.014 -5.831 82 HB3 GLU 12 1HB GLU 12 -1.345 2.236 -7.067 83 HG2 GLU 12 2HG GLU 12 0.774 2.384 -4.896 84 HG3 GLU 12 1HG GLU 12 1.056 1.985 -6.589 85 H LYS 13 H LYS 13 -3.173 0.749 -4.196 86 HA LYS 13 HA LYS 13 -5.877 1.327 -5.116 87 HB2 LYS 13 2HB LYS 13 -4.102 -0.799 -6.317 88 HB3 LYS 13 1HB LYS 13 -5.788 -1.210 -6.088 89 HG2 LYS 13 2HG LYS 13 -6.497 0.068 -7.835 90 HG3 LYS 13 1HG LYS 13 -5.378 1.381 -7.485 91 HD2 LYS 13 2HD LYS 13 -4.491 -1.234 -8.781 92 HD3 LYS 13 1HD LYS 13 -5.037 0.165 -9.715 93 HE2 LYS 13 2HE LYS 13 -3.220 1.516 -8.614 94 HE3 LYS 13 1HE LYS 13 -2.639 0.033 -7.855 95 HZ1 LYS 13 3HZ LYS 13 -2.276 -0.884 -10.064 96 HZ2 LYS 13 1HZ LYS 13 -1.409 0.548 -9.838 97 HZ3 LYS 13 2HZ LYS 13 -2.820 0.556 -10.767 98 H LYS 14 H LYS 14 -7.424 -0.227 -4.217 99 HA LYS 14 HA LYS 14 -6.561 -2.046 -2.157 100 HB2 LYS 14 2HB LYS 14 -7.575 -0.970 -0.250 101 HB3 LYS 14 1HB LYS 14 -6.417 0.127 -0.961 102 HG2 LYS 14 2HG LYS 14 -8.131 1.564 -0.406 103 HG3 LYS 14 1HG LYS 14 -8.515 1.224 -2.091 104 HD2 LYS 14 2HD LYS 14 -10.336 -0.195 -1.511 105 HD3 LYS 14 1HD LYS 14 -9.776 -0.387 0.152 106 HE2 LYS 14 2HE LYS 14 -11.773 1.056 -0.003 107 HE3 LYS 14 1HE LYS 14 -10.392 1.924 0.657 108 HZ1 LYS 14 3HZ LYS 14 -11.464 3.330 -0.883 109 HZ2 LYS 14 1HZ LYS 14 -11.513 2.132 -2.068 110 HZ3 LYS 14 2HZ LYS 14 -10.035 2.815 -1.627 111 H ARG 15 H ARG 15 -8.472 -2.972 -0.968 112 HA ARG 15 HA ARG 15 -11.057 -2.905 -2.261 113 HE ARG 15 HE ARG 15 -8.068 -4.678 -4.701 114 HB2 ARG 15 2HB ARG 15 -11.129 -5.333 -2.806 115 HB3 ARG 15 1HB ARG 15 -9.931 -4.493 -3.786 116 HG2 ARG 15 2HG ARG 15 -9.062 -5.881 -1.234 117 HG3 ARG 15 1HG ARG 15 -9.349 -6.836 -2.693 118 HD2 ARG 15 2HD ARG 15 -7.387 -4.526 -2.406 119 HD3 ARG 15 1HD ARG 15 -6.970 -6.251 -2.445 120 HH11 ARG 15 1HH1 ARG 15 -6.292 -7.500 -3.588 121 HH12 ARG 15 2HH1 ARG 15 -5.999 -8.084 -5.192 122 HH21 ARG 15 1HH2 ARG 15 -7.674 -5.454 -6.777 123 HH22 ARG 15 2HH2 ARG 15 -6.781 -6.924 -7.000 124 H ILE 16 H ILE 16 -12.646 -3.552 -0.821 125 HA ILE 16 HA ILE 16 -11.828 -5.036 1.604 126 HB ILE 16 HB ILE 16 -14.393 -3.462 1.060 127 HG12 ILE 16 2HG1 ILE 16 -12.141 -3.086 3.059 128 HG13 ILE 16 1HG1 ILE 16 -12.417 -2.079 1.641 129 HG21 ILE 16 1HG2 ILE 16 -13.691 -5.134 3.520 130 HG22 ILE 16 2HG2 ILE 16 -14.958 -5.503 2.347 131 HG23 ILE 16 3HG2 ILE 16 -15.094 -4.076 3.372 132 HD11 ILE 16 3HD1 ILE 16 -13.133 -0.959 3.657 133 HD12 ILE 16 1HD1 ILE 16 -14.200 -2.302 4.064 134 HD13 ILE 16 2HD1 ILE 16 -14.529 -1.309 2.641 135 H ARG 17 H ARG 17 -12.121 -7.101 1.564 136 HA ARG 17 HA ARG 17 -14.569 -8.288 0.636 137 HE ARG 17 HE ARG 17 -14.941 -11.557 -3.577 138 HB2 ARG 17 2HB ARG 17 -12.959 -8.339 -1.383 139 HB3 ARG 17 1HB ARG 17 -11.950 -9.444 -0.448 140 HG2 ARG 17 2HG ARG 17 -13.820 -11.062 -0.337 141 HG3 ARG 17 1HG ARG 17 -14.845 -9.949 -1.248 142 HD2 ARG 17 2HD ARG 17 -13.180 -10.117 -3.152 143 HD3 ARG 17 1HD ARG 17 -12.353 -11.383 -2.234 144 HH11 ARG 17 1HH1 ARG 17 -12.732 -13.190 -1.354 145 HH12 ARG 17 2HH1 ARG 17 -13.421 -14.752 -1.658 146 HH21 ARG 17 1HH2 ARG 17 -15.810 -13.598 -3.947 147 HH22 ARG 17 2HH2 ARG 17 -15.151 -14.981 -3.137 148 H LYS 18 H LYS 18 -14.995 -10.265 1.667 149 HA LYS 18 HA LYS 18 -15.103 -11.670 3.437 150 HB2 LYS 18 2HB LYS 18 -12.906 -12.466 2.395 151 HB3 LYS 18 1HB LYS 18 -12.055 -11.478 3.576 152 HG2 LYS 18 2HG LYS 18 -13.016 -12.850 5.403 153 HG3 LYS 18 1HG LYS 18 -13.872 -13.838 4.212 154 HD2 LYS 18 2HD LYS 18 -10.840 -13.559 4.458 155 HD3 LYS 18 1HD LYS 18 -11.794 -14.942 4.998 156 HE2 LYS 18 2HE LYS 18 -11.485 -14.008 2.118 157 HE3 LYS 18 1HE LYS 18 -10.697 -15.406 2.846 158 HZ1 LYS 18 3HZ LYS 18 -12.634 -16.021 1.539 159 HZ2 LYS 18 1HZ LYS 18 -13.625 -15.074 2.521 160 HZ3 LYS 18 2HZ LYS 18 -12.852 -16.430 3.164 161 H GLY 19 H GLY 19 -15.178 -8.760 3.752 162 HA2 GLY 19 2HA GLY 19 -15.399 -7.154 5.360 163 HA3 GLY 19 1HA GLY 19 -15.268 -8.430 6.558 164 H ARG 20 H ARG 20 -12.688 -7.957 4.277 165 HA ARG 20 HA ARG 20 -10.942 -6.660 6.294 166 HE ARG 20 HE ARG 20 -11.223 -10.557 8.879 167 HB2 ARG 20 2HB ARG 20 -10.229 -9.093 4.570 168 HB3 ARG 20 1HB ARG 20 -9.111 -8.236 5.629 169 HG2 ARG 20 2HG ARG 20 -11.577 -9.775 6.539 170 HG3 ARG 20 1HG ARG 20 -9.911 -10.362 6.617 171 HD2 ARG 20 2HD ARG 20 -9.331 -8.567 8.186 172 HD3 ARG 20 1HD ARG 20 -10.968 -7.908 8.074 173 HH11 ARG 20 1HH1 ARG 20 -9.812 -7.630 10.205 174 HH12 ARG 20 2HH1 ARG 20 -10.075 -8.120 11.846 175 HH21 ARG 20 1HH2 ARG 20 -11.574 -11.164 11.033 176 HH22 ARG 20 2HH2 ARG 20 -11.057 -10.114 12.316 177 H VAL 21 H VAL 21 -9.652 -5.063 5.428 178 HA VAL 21 HA VAL 21 -9.790 -4.674 2.512 179 HB VAL 21 HB VAL 21 -10.609 -2.768 3.775 180 HG11 VAL 21 1HG1 VAL 21 -9.214 -1.389 5.225 181 HG12 VAL 21 2HG1 VAL 21 -7.874 -2.524 5.029 182 HG13 VAL 21 3HG1 VAL 21 -9.348 -3.036 5.851 183 HG21 VAL 21 3HG2 VAL 21 -9.265 -0.977 2.730 184 HG22 VAL 21 1HG2 VAL 21 -9.511 -2.331 1.621 185 HG23 VAL 21 2HG2 VAL 21 -7.960 -2.132 2.443 186 H GLU 22 H GLU 22 -8.054 -4.534 1.241 187 HA GLU 22 HA GLU 22 -5.367 -5.188 2.302 188 HB2 GLU 22 2HB GLU 22 -6.388 -7.189 1.298 189 HB3 GLU 22 1HB GLU 22 -6.805 -6.291 -0.157 190 HG2 GLU 22 2HG GLU 22 -4.397 -6.046 -0.674 191 HG3 GLU 22 1HG GLU 22 -4.005 -6.972 0.780 192 H TYR 23 H TYR 23 -3.616 -4.292 1.051 193 HA TYR 23 HA TYR 23 -4.298 -1.874 -0.502 194 HD1 TYR 23 2HD TYR 23 -5.462 -0.535 0.588 195 HD2 TYR 23 1HD TYR 23 -3.000 -1.366 3.968 196 HE1 TYR 23 2HE TYR 23 -7.192 0.358 2.072 197 HE2 TYR 23 1HE TYR 23 -4.733 -0.469 5.463 198 HH TYR 23 HH TYR 23 -6.618 1.045 5.385 199 HB2 TYR 23 2HB TYR 23 -2.308 -2.107 1.808 200 HB3 TYR 23 1HB TYR 23 -2.515 -0.677 0.800 201 H LEU 24 H LEU 24 -3.128 -1.720 -2.359 202 HA LEU 24 HA LEU 24 -0.769 -3.324 -2.857 203 HG LEU 24 HG LEU 24 0.419 -1.563 -5.150 204 HB2 LEU 24 2HB LEU 24 -2.360 -2.731 -4.697 205 HB3 LEU 24 1HB LEU 24 -1.944 -1.036 -4.496 206 HD11 LEU 24 1HD1 LEU 24 0.527 -3.899 -4.462 207 HD12 LEU 24 2HD1 LEU 24 0.964 -3.729 -6.161 208 HD13 LEU 24 3HD1 LEU 24 -0.633 -4.347 -5.718 209 HD21 LEU 24 3HD2 LEU 24 -1.648 -2.414 -7.198 210 HD22 LEU 24 1HD2 LEU 24 0.001 -1.881 -7.540 211 HD23 LEU 24 2HD2 LEU 24 -1.159 -0.753 -6.842 212 H VAL 25 H VAL 25 0.972 -2.761 -1.729 213 HA VAL 25 HA VAL 25 1.563 -0.004 -1.004 214 HB VAL 25 HB VAL 25 3.414 -0.956 0.310 215 HG11 VAL 25 1HG1 VAL 25 1.176 -0.850 1.336 216 HG12 VAL 25 2HG1 VAL 25 2.065 -2.249 1.941 217 HG13 VAL 25 3HG1 VAL 25 0.799 -2.468 0.730 218 HG21 VAL 25 3HG2 VAL 25 2.572 -3.681 -0.761 219 HG22 VAL 25 1HG2 VAL 25 3.761 -3.408 0.515 220 HG23 VAL 25 2HG2 VAL 25 4.082 -2.850 -1.126 221 H LYS 26 H LYS 26 2.557 1.238 -2.366 222 HA LYS 26 HA LYS 26 4.127 0.342 -4.602 223 HB2 LYS 26 2HB LYS 26 2.759 2.447 -4.686 224 HB3 LYS 26 1HB LYS 26 3.784 3.151 -3.443 225 HG2 LYS 26 2HG LYS 26 4.441 4.018 -5.612 226 HG3 LYS 26 1HG LYS 26 5.730 2.992 -4.972 227 HD2 LYS 26 2HD LYS 26 4.784 1.103 -6.395 228 HD3 LYS 26 1HD LYS 26 3.718 2.287 -7.143 229 HE2 LYS 26 2HE LYS 26 5.668 1.892 -8.559 230 HE3 LYS 26 1HE LYS 26 5.730 3.540 -7.934 231 HZ1 LYS 26 3HZ LYS 26 7.882 2.445 -7.801 232 HZ2 LYS 26 1HZ LYS 26 7.234 1.223 -6.837 233 HZ3 LYS 26 2HZ LYS 26 7.310 2.805 -6.257 234 H TRP 27 H TRP 27 5.907 -0.806 -3.742 235 HA TRP 27 HA TRP 27 7.590 0.175 -1.661 236 HD1 TRP 27 HD TRP 27 6.630 -3.861 -3.529 237 HE1 TRP 27 1HE TRP 27 5.715 -5.183 -1.533 238 HE3 TRP 27 3HE TRP 27 8.521 -1.024 0.259 239 HZ2 TRP 27 2HZ TRP 27 5.780 -5.057 1.261 240 HZ3 TRP 27 3HZ TRP 27 8.042 -1.691 2.573 241 HH2 TRP 27 HH TRP 27 6.701 -3.666 3.069 242 HB2 TRP 27 2HB TRP 27 8.193 -1.850 -3.865 243 HB3 TRP 27 1HB TRP 27 9.250 -1.533 -2.494 244 H ARG 28 H ARG 28 8.809 1.958 -1.778 245 HA ARG 28 HA ARG 28 9.462 3.292 -4.220 246 HE ARG 28 HE ARG 28 9.247 6.074 -0.793 247 HB2 ARG 28 2HB ARG 28 10.838 4.830 -2.776 248 HB3 ARG 28 1HB ARG 28 9.158 4.683 -2.281 249 HG2 ARG 28 2HG ARG 28 9.747 3.310 -0.384 250 HG3 ARG 28 1HG ARG 28 11.410 3.144 -0.953 251 HD2 ARG 28 2HD ARG 28 11.144 4.756 0.945 252 HD3 ARG 28 1HD ARG 28 11.877 5.471 -0.492 253 HH11 ARG 28 1HH1 ARG 28 11.447 6.543 1.903 254 HH12 ARG 28 2HH1 ARG 28 10.703 8.024 2.396 255 HH21 ARG 28 1HH2 ARG 28 8.302 8.026 -0.135 256 HH22 ARG 28 2HH2 ARG 28 8.919 8.864 1.250 257 H GLY 29 H GLY 29 11.309 3.282 -5.398 258 HA2 GLY 29 2HA GLY 29 13.404 2.665 -6.152 259 HA3 GLY 29 1HA GLY 29 13.723 1.873 -4.616 260 H TRP 30 H TRP 30 10.749 0.844 -5.729 261 HA TRP 30 HA TRP 30 11.823 -1.446 -7.262 262 HD1 TRP 30 HD TRP 30 11.396 -0.859 -3.192 263 HE1 TRP 30 1HE TRP 30 13.198 -2.279 -2.050 264 HE3 TRP 30 3HE TRP 30 11.682 -4.728 -6.552 265 HZ2 TRP 30 2HZ TRP 30 14.558 -4.691 -2.474 266 HZ3 TRP 30 3HZ TRP 30 13.264 -6.560 -6.092 267 HH2 TRP 30 HH TRP 30 14.673 -6.539 -4.093 268 HB2 TRP 30 2HB TRP 30 9.597 -1.498 -5.168 269 HB3 TRP 30 1HB TRP 30 10.015 -2.848 -6.213 270 H SER 31 H SER 31 10.676 -2.056 -9.033 271 HA SER 31 HA SER 31 9.044 -0.163 -10.361 272 HG SER 31 HG SER 31 11.062 -0.759 -11.506 273 HB2 SER 31 2HB SER 31 9.533 -3.095 -11.036 274 HB3 SER 31 1HB SER 31 8.995 -1.840 -12.157 275 HA PRO 32 HA PRO 32 4.754 -1.094 -9.387 276 HB2 PRO 32 2HB PRO 32 3.701 -1.705 -11.960 277 HB3 PRO 32 1HB PRO 32 3.798 -0.101 -11.222 278 HG2 PRO 32 2HG PRO 32 5.705 -1.439 -13.129 279 HG3 PRO 32 1HG PRO 32 5.147 0.247 -13.098 280 HD2 PRO 32 2HD PRO 32 7.567 -0.328 -12.190 281 HD3 PRO 32 1HD PRO 32 6.554 0.809 -11.273 282 H LYS 33 H LYS 33 6.442 -3.514 -11.374 283 HA LYS 33 HA LYS 33 4.536 -5.635 -10.852 284 HB2 LYS 33 2HB LYS 33 6.067 -7.099 -12.047 285 HB3 LYS 33 1HB LYS 33 5.870 -5.596 -12.941 286 HG2 LYS 33 2HG LYS 33 8.058 -4.823 -12.304 287 HG3 LYS 33 1HG LYS 33 8.246 -6.121 -11.122 288 HD2 LYS 33 2HD LYS 33 8.058 -6.525 -14.140 289 HD3 LYS 33 1HD LYS 33 9.558 -6.519 -13.205 290 HE2 LYS 33 2HE LYS 33 8.824 -8.504 -11.958 291 HE3 LYS 33 1HE LYS 33 7.268 -8.479 -12.791 292 HZ1 LYS 33 3HZ LYS 33 8.799 -10.106 -13.704 293 HZ2 LYS 33 1HZ LYS 33 9.892 -8.885 -14.103 294 HZ3 LYS 33 2HZ LYS 33 8.378 -8.944 -14.853 295 H TYR 34 H TYR 34 7.150 -4.317 -9.067 296 HA TYR 34 HA TYR 34 7.581 -6.762 -7.467 297 HD1 TYR 34 1HD TYR 34 10.018 -7.731 -7.434 298 HD2 TYR 34 2HD TYR 34 10.188 -4.087 -9.657 299 HE1 TYR 34 1HE TYR 34 11.482 -8.803 -9.079 300 HE2 TYR 34 2HE TYR 34 11.655 -5.169 -11.312 301 HH TYR 34 HH TYR 34 13.189 -7.082 -11.442 302 HB2 TYR 34 2HB TYR 34 9.072 -4.098 -7.546 303 HB3 TYR 34 1HB TYR 34 9.446 -5.388 -6.408 304 H ASN 35 H ASN 35 5.310 -4.486 -7.468 305 HA ASN 35 HA ASN 35 5.307 -3.798 -4.622 306 HB2 ASN 35 2HB ASN 35 3.382 -2.996 -6.827 307 HB3 ASN 35 1HB ASN 35 3.390 -2.359 -5.183 308 HD21 ASN 35 1HD2 ASN 35 6.411 -2.269 -5.115 309 HD22 ASN 35 2HD2 ASN 35 6.829 -0.921 -6.105 310 H THR 36 H THR 36 3.893 -4.624 -3.138 311 HA THR 36 HA THR 36 2.481 -7.090 -3.977 312 HB THR 36 HB THR 36 2.991 -7.930 -1.671 313 HG1 THR 36 1HG THR 36 3.400 -6.298 -0.361 314 HG21 THR 36 3HG2 THR 36 5.407 -8.329 -2.003 315 HG22 THR 36 1HG2 THR 36 5.466 -7.030 -3.196 316 HG23 THR 36 2HG2 THR 36 4.535 -8.494 -3.532 317 H TRP 37 H TRP 37 0.548 -7.621 -3.046 318 HA TRP 37 HA TRP 37 -1.098 -5.560 -1.823 319 HD1 TRP 37 HD TRP 37 -1.102 -8.114 -5.258 320 HE1 TRP 37 1HE TRP 37 -2.157 -6.687 -7.114 321 HE3 TRP 37 3HE TRP 37 -3.976 -5.009 -2.375 322 HZ2 TRP 37 2HZ TRP 37 -3.938 -4.520 -7.345 323 HZ3 TRP 37 3HZ TRP 37 -5.319 -3.273 -3.492 324 HH2 TRP 37 HH TRP 37 -5.302 -3.039 -5.929 325 HB2 TRP 37 2HB TRP 37 -1.670 -8.432 -2.677 326 HB3 TRP 37 1HB TRP 37 -2.870 -7.358 -1.982 327 H GLU 38 H GLU 38 -1.096 -5.290 0.326 328 HA GLU 38 HA GLU 38 -0.313 -7.448 2.195 329 HB2 GLU 38 2HB GLU 38 0.202 -4.441 2.439 330 HB3 GLU 38 1HB GLU 38 0.729 -5.671 3.585 331 HG2 GLU 38 2HG GLU 38 1.702 -5.366 0.724 332 HG3 GLU 38 1HG GLU 38 2.561 -4.834 2.163 333 HA PRO 39 HA PRO 39 -4.286 -6.587 4.207 334 HB2 PRO 39 2HB PRO 39 -3.755 -7.222 6.832 335 HB3 PRO 39 1HB PRO 39 -3.943 -8.443 5.564 336 HG2 PRO 39 2HG PRO 39 -1.396 -7.239 6.666 337 HG3 PRO 39 1HG PRO 39 -1.788 -8.952 6.394 338 HD2 PRO 39 2HD PRO 39 -0.303 -7.588 4.612 339 HD3 PRO 39 1HD PRO 39 -1.500 -8.783 4.065 340 H GLU 40 H GLU 40 -5.315 -5.235 5.845 341 HA GLU 40 HA GLU 40 -4.594 -2.559 5.829 342 HB2 GLU 40 2HB GLU 40 -6.868 -3.245 6.252 343 HB3 GLU 40 1HB GLU 40 -6.415 -4.113 7.700 344 HG2 GLU 40 2HG GLU 40 -5.790 -1.860 8.732 345 HG3 GLU 40 1HG GLU 40 -6.488 -1.105 7.297 346 H GLU 41 H GLU 41 -4.108 -4.942 8.381 347 HA GLU 41 HA GLU 41 -3.057 -3.257 10.398 348 HB2 GLU 41 2HB GLU 41 -2.340 -5.433 11.465 349 HB3 GLU 41 1HB GLU 41 -4.039 -5.373 11.002 350 HG2 GLU 41 2HG GLU 41 -3.581 -6.733 9.012 351 HG3 GLU 41 1HG GLU 41 -1.855 -6.733 9.387 352 H ASN 42 H ASN 42 -1.559 -4.604 7.571 353 HA ASN 42 HA ASN 42 1.162 -4.667 8.517 354 HB2 ASN 42 2HB ASN 42 0.227 -6.019 6.553 355 HB3 ASN 42 1HB ASN 42 0.217 -4.534 5.616 356 HD21 ASN 42 1HD2 ASN 42 1.712 -7.130 5.354 357 HD22 ASN 42 2HD2 ASN 42 3.355 -6.651 5.142 358 H ILE 43 H ILE 43 -0.955 -2.316 6.977 359 HA ILE 43 HA ILE 43 1.073 -0.222 6.904 360 HB ILE 43 HB ILE 43 -1.931 -0.056 6.375 361 HG12 ILE 43 2HG1 ILE 43 -0.825 -1.440 4.688 362 HG13 ILE 43 1HG1 ILE 43 -1.253 0.104 3.963 363 HG21 ILE 43 1HG2 ILE 43 0.226 2.048 5.893 364 HG22 ILE 43 2HG2 ILE 43 -1.067 2.130 7.094 365 HG23 ILE 43 3HG2 ILE 43 -1.460 2.166 5.376 366 HD11 ILE 43 3HD1 ILE 43 0.909 -0.567 3.201 367 HD12 ILE 43 1HD1 ILE 43 1.487 -0.789 4.850 368 HD13 ILE 43 2HD1 ILE 43 1.112 0.831 4.252 369 H LEU 44 H LEU 44 1.739 0.013 8.961 370 HA LEU 44 HA LEU 44 -0.189 0.841 11.058 371 HG LEU 44 HG LEU 44 1.639 -1.123 13.662 372 HB2 LEU 44 2HB LEU 44 1.785 -1.142 11.193 373 HB3 LEU 44 1HB LEU 44 2.619 0.222 11.901 374 HD11 LEU 44 1HD1 LEU 44 0.004 1.413 13.423 375 HD12 LEU 44 2HD1 LEU 44 1.644 1.287 14.060 376 HD13 LEU 44 3HD1 LEU 44 0.318 0.487 14.898 377 HD21 LEU 44 3HD2 LEU 44 -0.762 -1.578 13.861 378 HD22 LEU 44 1HD2 LEU 44 -0.109 -2.240 12.363 379 HD23 LEU 44 2HD2 LEU 44 -1.063 -0.756 12.325 380 H ASP 45 H ASP 45 0.693 2.533 8.899 381 HA ASP 45 HA ASP 45 2.275 4.594 10.310 382 HB2 ASP 45 2HB ASP 45 3.625 3.408 8.569 383 HB3 ASP 45 1HB ASP 45 2.440 3.866 7.352 384 HA PRO 46 HA PRO 46 -1.558 6.779 9.527 385 HB2 PRO 46 2HB PRO 46 -0.936 9.216 10.535 386 HB3 PRO 46 1HB PRO 46 -1.104 7.792 11.578 387 HG2 PRO 46 2HG PRO 46 1.419 9.032 10.460 388 HG3 PRO 46 1HG PRO 46 1.083 8.515 12.126 389 HD2 PRO 46 2HD PRO 46 2.479 6.963 10.369 390 HD3 PRO 46 1HD PRO 46 1.440 6.260 11.632 391 H ARG 47 H ARG 47 1.476 7.917 8.198 392 HA ARG 47 HA ARG 47 0.431 9.994 6.496 393 HE ARG 47 HE ARG 47 4.624 8.206 8.053 394 HB2 ARG 47 2HB ARG 47 3.106 8.526 6.458 395 HB3 ARG 47 1HB ARG 47 2.743 9.998 5.557 396 HG2 ARG 47 2HG ARG 47 2.623 11.319 7.528 397 HG3 ARG 47 1HG ARG 47 2.495 9.902 8.572 398 HD2 ARG 47 2HD ARG 47 4.979 10.520 6.943 399 HD3 ARG 47 1HD ARG 47 4.726 11.117 8.586 400 HH11 ARG 47 1HH1 ARG 47 6.241 10.920 9.617 401 HH12 ARG 47 2HH1 ARG 47 7.211 9.901 10.625 402 HH21 ARG 47 1HH2 ARG 47 5.910 6.911 9.409 403 HH22 ARG 47 2HH2 ARG 47 7.021 7.646 10.510 404 H LEU 48 H LEU 48 1.192 6.572 6.170 405 HA LEU 48 HA LEU 48 0.581 6.349 3.367 406 HG LEU 48 HG LEU 48 2.912 5.237 5.208 407 HB2 LEU 48 2HB LEU 48 0.672 4.231 5.546 408 HB3 LEU 48 1HB LEU 48 0.552 3.896 3.821 409 HD11 LEU 48 1HD1 LEU 48 4.145 3.173 4.728 410 HD12 LEU 48 2HD1 LEU 48 2.680 2.431 4.076 411 HD13 LEU 48 3HD1 LEU 48 2.762 2.878 5.782 412 HD21 LEU 48 3HD2 LEU 48 2.659 6.098 2.937 413 HD22 LEU 48 1HD2 LEU 48 2.596 4.456 2.285 414 HD23 LEU 48 2HD2 LEU 48 4.076 5.059 3.040 415 H LEU 49 H LEU 49 -1.271 6.118 6.384 416 HA LEU 49 HA LEU 49 -3.753 5.294 5.219 417 HG LEU 49 HG LEU 49 -2.306 4.543 7.939 418 HB2 LEU 49 2HB LEU 49 -3.216 6.838 7.788 419 HB3 LEU 49 1HB LEU 49 -4.792 6.202 7.330 420 HD11 LEU 49 1HD1 LEU 49 -3.505 3.818 9.951 421 HD12 LEU 49 2HD1 LEU 49 -4.847 4.898 9.563 422 HD13 LEU 49 3HD1 LEU 49 -3.256 5.563 9.942 423 HD21 LEU 49 3HD2 LEU 49 -3.771 2.565 7.765 424 HD22 LEU 49 1HD2 LEU 49 -3.658 3.429 6.233 425 HD23 LEU 49 2HD2 LEU 49 -5.106 3.590 7.229 426 H ILE 50 H ILE 50 -2.194 8.462 5.673 427 HA ILE 50 HA ILE 50 -4.321 10.100 4.731 428 HB ILE 50 HB ILE 50 -1.301 10.546 4.574 429 HG12 ILE 50 2HG1 ILE 50 -3.355 11.715 6.510 430 HG13 ILE 50 1HG1 ILE 50 -2.246 10.405 6.888 431 HG21 ILE 50 1HG2 ILE 50 -1.770 12.940 4.137 432 HG22 ILE 50 2HG2 ILE 50 -3.495 12.586 4.026 433 HG23 ILE 50 3HG2 ILE 50 -2.378 11.913 2.836 434 HD11 ILE 50 3HD1 ILE 50 -1.476 12.505 7.815 435 HD12 ILE 50 1HD1 ILE 50 -1.462 13.239 6.211 436 HD13 ILE 50 2HD1 ILE 50 -0.348 11.922 6.592 437 H ALA 51 H ALA 51 -1.576 8.538 3.077 438 HA ALA 51 HA ALA 51 -2.078 9.321 0.427 439 HB1 ALA 51 1HB ALA 51 -0.681 7.395 -0.227 440 HB2 ALA 51 2HB ALA 51 -0.820 6.731 1.405 441 HB3 ALA 51 3HB ALA 51 0.019 8.257 1.140 442 H PHE 52 H PHE 52 -3.300 6.608 2.292 443 HA PHE 52 HA PHE 52 -4.769 5.190 0.359 444 HD1 PHE 52 2HD PHE 52 -6.446 3.146 0.859 445 HD2 PHE 52 1HD PHE 52 -6.731 5.151 4.626 446 HE1 PHE 52 2HE PHE 52 -8.648 2.148 1.247 447 HE2 PHE 52 1HE PHE 52 -8.940 4.144 4.990 448 HZ PHE 52 HZ PHE 52 -9.897 2.640 3.299 449 HB2 PHE 52 2HB PHE 52 -4.350 4.058 2.386 450 HB3 PHE 52 1HB PHE 52 -4.811 5.432 3.372 451 H GLN 53 H GLN 53 -5.812 7.685 2.690 452 HA GLN 53 HA GLN 53 -8.515 7.864 1.907 453 HB2 GLN 53 2HB GLN 53 -6.718 9.915 3.283 454 HB3 GLN 53 1HB GLN 53 -8.454 10.129 3.066 455 HG2 GLN 53 2HG GLN 53 -7.158 7.879 4.629 456 HG3 GLN 53 1HG GLN 53 -7.862 9.331 5.330 457 HE21 GLN 53 1HE2 GLN 53 -10.188 9.372 3.536 458 HE22 GLN 53 2HE2 GLN 53 -11.199 8.062 4.013 459 H ASN 54 H ASN 54 -5.646 9.661 0.853 460 HA ASN 54 HA ASN 54 -6.942 11.615 -0.745 461 HB2 ASN 54 2HB ASN 54 -4.055 10.642 -0.662 462 HB3 ASN 54 1HB ASN 54 -4.579 11.922 -1.758 463 HD21 ASN 54 1HD2 ASN 54 -3.169 13.368 -0.739 464 HD22 ASN 54 2HD2 ASN 54 -3.505 14.050 0.812 465 H ARG 55 H ARG 55 -5.536 8.449 -1.430 466 HA ARG 55 HA ARG 55 -5.667 8.438 -4.240 467 HE ARG 55 HE ARG 55 -3.193 6.036 -4.981 468 HB2 ARG 55 2HB ARG 55 -4.330 6.784 -3.091 469 HB3 ARG 55 1HB ARG 55 -5.719 6.180 -2.201 470 HG2 ARG 55 2HG ARG 55 -5.032 4.617 -3.959 471 HG3 ARG 55 1HG ARG 55 -6.660 5.228 -4.252 472 HD2 ARG 55 2HD ARG 55 -5.545 5.196 -6.359 473 HD3 ARG 55 1HD ARG 55 -5.637 6.889 -5.877 474 HH11 ARG 55 1HH1 ARG 55 -4.759 6.190 -8.127 475 HH12 ARG 55 2HH1 ARG 55 -3.266 6.311 -8.996 476 HH21 ARG 55 1HH2 ARG 55 -1.251 6.153 -6.141 477 HH22 ARG 55 2HH2 ARG 55 -1.276 6.243 -7.868 478 H GLU 56 H GLU 56 -8.042 7.395 -1.792 479 HA GLU 56 HA GLU 56 -10.004 6.592 -3.802 480 HB2 GLU 56 2HB GLU 56 -11.376 5.874 -1.912 481 HB3 GLU 56 1HB GLU 56 -9.730 5.287 -1.709 482 HG2 GLU 56 2HG GLU 56 -9.287 7.068 -0.077 483 HG3 GLU 56 1HG GLU 56 -10.924 7.685 -0.287 484 H ARG 57 H ARG 57 -9.188 9.507 -2.189 485 HA ARG 57 HA ARG 57 -11.894 10.662 -2.343 486 HE ARG 57 HE ARG 57 -12.748 14.153 1.107 487 HB2 ARG 57 2HB ARG 57 -10.317 10.888 -0.299 488 HB3 ARG 57 1HB ARG 57 -9.391 12.029 -1.265 489 HG2 ARG 57 2HG ARG 57 -11.388 13.483 -1.431 490 HG3 ARG 57 1HG ARG 57 -12.307 12.322 -0.467 491 HD2 ARG 57 2HD ARG 57 -10.700 12.681 1.414 492 HD3 ARG 57 1HD ARG 57 -9.885 13.914 0.441 493 HH11 ARG 57 1HH1 ARG 57 -9.514 15.522 1.263 494 HH12 ARG 57 2HH1 ARG 57 -10.056 17.006 1.976 495 HH21 ARG 57 1HH2 ARG 57 -13.441 16.087 2.025 496 HH22 ARG 57 2HH2 ARG 57 -12.288 17.330 2.395 497 H GLN 58 H GLN 58 -9.494 10.228 -4.525 498 HA GLN 58 HA GLN 58 -9.043 12.708 -5.759 499 HB2 GLN 58 2HB GLN 58 -9.229 9.929 -6.985 500 HB3 GLN 58 1HB GLN 58 -8.680 11.343 -7.880 501 HG2 GLN 58 2HG GLN 58 -7.343 10.181 -5.414 502 HG3 GLN 58 1HG GLN 58 -6.812 9.958 -7.081 503 HE21 GLN 58 1HE2 GLN 58 -6.988 12.194 -4.395 504 HE22 GLN 58 2HE2 GLN 58 -5.916 13.384 -5.041 505 H GLU 59 H GLU 59 -11.879 10.671 -5.810 506 HA GLU 59 HA GLU 59 -13.328 12.667 -7.455 507 HB2 GLU 59 2HB GLU 59 -13.424 10.371 -8.392 508 HB3 GLU 59 1HB GLU 59 -14.019 9.747 -6.855 509 HG2 GLU 59 2HG GLU 59 -16.064 11.151 -7.120 510 HG3 GLU 59 1HG GLU 59 -15.459 11.683 -8.689 511 H GLN 60 H GLN 60 -14.710 13.929 -6.330 512 HA GLN 60 HA GLN 60 -15.432 13.357 -3.558 513 HB2 GLN 60 2HB GLN 60 -16.013 15.760 -5.364 514 HB3 GLN 60 1HB GLN 60 -16.553 15.639 -3.692 515 HG2 GLN 60 2HG GLN 60 -13.642 15.602 -4.570 516 HG3 GLN 60 1HG GLN 60 -14.496 17.036 -4.009 517 HE21 GLN 60 1HE2 GLN 60 -15.084 17.176 -1.780 518 HE22 GLN 60 2HE2 GLN 60 -14.315 16.192 -0.589 Start of MODEL 4 1 H1 GLY 1 1HT GLY 1 22.144 3.111 -2.864 2 H2 GLY 1 2HT GLY 1 23.323 2.001 -3.343 3 H3 GLY 1 3HT GLY 1 22.011 1.487 -2.412 4 HA2 GLY 1 1HA GLY 1 21.905 2.484 -5.204 5 HA3 GLY 1 2HA GLY 1 21.713 0.814 -4.693 6 H SER 2 H SER 2 20.192 3.901 -5.022 7 HA SER 2 HA SER 2 17.868 3.613 -3.460 8 HG SER 2 HG SER 2 19.438 6.428 -4.966 9 HB2 SER 2 2HB SER 2 18.209 5.152 -6.065 10 HB3 SER 2 1HB SER 2 16.970 5.451 -4.841 11 H GLU 3 H GLU 3 18.736 2.177 -6.446 12 HA GLU 3 HA GLU 3 16.334 1.623 -7.721 13 HB2 GLU 3 2HB GLU 3 18.517 1.287 -8.754 14 HB3 GLU 3 1HB GLU 3 18.933 0.050 -7.571 15 HG2 GLU 3 2HG GLU 3 17.049 -1.351 -8.515 16 HG3 GLU 3 1HG GLU 3 16.862 -0.136 -9.777 17 H HIS 4 H HIS 4 17.893 -0.149 -5.067 18 HA HIS 4 HA HIS 4 15.639 -2.060 -4.975 19 HD1 HIS 4 1HD HIS 4 19.243 -2.548 -7.288 20 HD2 HIS 4 2HD HIS 4 19.865 -2.718 -3.183 21 HE1 HIS 4 1HE HIS 4 21.686 -2.088 -6.961 22 HE2 HIS 4 2HE HIS 4 22.078 -2.391 -4.489 23 HB2 HIS 4 2HB HIS 4 17.445 -3.841 -4.382 24 HB3 HIS 4 1HB HIS 4 17.237 -3.397 -6.067 25 H VAL 5 H VAL 5 15.474 0.006 -3.413 26 HA VAL 5 HA VAL 5 16.352 -0.857 -0.720 27 HB VAL 5 HB VAL 5 15.521 1.385 0.071 28 HG11 VAL 5 1HG1 VAL 5 17.635 1.495 -2.115 29 HG12 VAL 5 2HG1 VAL 5 17.899 1.054 -0.426 30 HG13 VAL 5 3HG1 VAL 5 17.416 2.700 -0.839 31 HG21 VAL 5 3HG2 VAL 5 13.877 1.920 -1.680 32 HG22 VAL 5 1HG2 VAL 5 15.161 2.026 -2.886 33 HG23 VAL 5 2HG2 VAL 5 15.083 3.204 -1.570 34 H PHE 6 H PHE 6 14.956 -2.014 0.472 35 HA PHE 6 HA PHE 6 12.137 -2.237 -0.196 36 HD1 PHE 6 2HD PHE 6 15.451 -4.364 0.414 37 HD2 PHE 6 1HD PHE 6 11.285 -5.272 0.033 38 HE1 PHE 6 2HE PHE 6 15.985 -6.205 -1.125 39 HE2 PHE 6 1HE PHE 6 11.833 -7.114 -1.504 40 HZ PHE 6 HZ PHE 6 14.181 -7.581 -2.086 41 HB2 PHE 6 2HB PHE 6 13.774 -3.490 2.043 42 HB3 PHE 6 1HB PHE 6 12.059 -3.798 1.801 43 H ALA 7 H ALA 7 11.254 -0.240 0.177 44 HA ALA 7 HA ALA 7 10.545 0.345 2.942 45 HB1 ALA 7 1HB ALA 7 11.135 2.744 2.774 46 HB2 ALA 7 2HB ALA 7 11.843 2.471 1.178 47 HB3 ALA 7 3HB ALA 7 12.568 1.729 2.606 48 H VAL 8 H VAL 8 8.416 0.644 2.965 49 HA VAL 8 HA VAL 8 6.812 0.838 0.621 50 HB VAL 8 HB VAL 8 6.052 1.227 3.548 51 HG11 VAL 8 1HG1 VAL 8 4.216 0.838 1.150 52 HG12 VAL 8 2HG1 VAL 8 4.342 2.286 2.149 53 HG13 VAL 8 3HG1 VAL 8 3.703 0.796 2.839 54 HG21 VAL 8 3HG2 VAL 8 5.808 -1.232 1.779 55 HG22 VAL 8 1HG2 VAL 8 5.208 -1.095 3.436 56 HG23 VAL 8 2HG2 VAL 8 6.942 -1.018 3.114 57 H GLU 9 H GLU 9 5.881 2.563 -0.340 58 HA GLU 9 HA GLU 9 6.651 5.259 0.565 59 HB2 GLU 9 2HB GLU 9 7.543 4.616 -1.633 60 HB3 GLU 9 1HB GLU 9 5.924 4.231 -2.209 61 HG2 GLU 9 2HG GLU 9 5.281 6.579 -2.096 62 HG3 GLU 9 1HG GLU 9 6.832 6.996 -1.365 63 H SER 10 H SER 10 3.939 3.659 -1.206 64 HA SER 10 HA SER 10 1.950 5.012 0.413 65 HG SER 10 HG SER 10 2.802 7.026 -0.088 66 HB2 SER 10 2HB SER 10 2.321 5.761 -2.512 67 HB3 SER 10 1HB SER 10 0.901 6.181 -1.563 68 H ILE 11 H ILE 11 -0.322 4.600 -0.533 69 HA ILE 11 HA ILE 11 -0.589 1.743 -1.122 70 HB ILE 11 HB ILE 11 -2.603 3.871 -0.280 71 HG12 ILE 11 2HG1 ILE 11 -1.437 1.489 1.226 72 HG13 ILE 11 1HG1 ILE 11 -0.984 3.171 1.472 73 HG21 ILE 11 1HG2 ILE 11 -4.263 2.063 -0.010 74 HG22 ILE 11 2HG2 ILE 11 -3.129 0.914 -0.724 75 HG23 ILE 11 3HG2 ILE 11 -3.769 2.242 -1.696 76 HD11 ILE 11 3HD1 ILE 11 -3.205 3.662 2.326 77 HD12 ILE 11 1HD1 ILE 11 -2.458 2.341 3.219 78 HD13 ILE 11 2HD1 ILE 11 -3.712 1.996 2.029 79 H GLU 12 H GLU 12 -0.537 1.222 -3.175 80 HA GLU 12 HA GLU 12 -0.990 2.964 -5.397 81 HB2 GLU 12 2HB GLU 12 -0.613 -0.071 -5.285 82 HB3 GLU 12 1HB GLU 12 -0.496 0.915 -6.739 83 HG2 GLU 12 2HG GLU 12 1.322 1.322 -4.354 84 HG3 GLU 12 1HG GLU 12 1.680 0.157 -5.629 85 H LYS 13 H LYS 13 -2.509 -0.041 -4.305 86 HA LYS 13 HA LYS 13 -5.050 0.630 -5.651 87 HB2 LYS 13 2HB LYS 13 -3.558 -2.022 -5.643 88 HB3 LYS 13 1HB LYS 13 -5.204 -1.808 -6.243 89 HG2 LYS 13 2HG LYS 13 -4.378 -0.326 -8.016 90 HG3 LYS 13 1HG LYS 13 -2.736 -0.459 -7.378 91 HD2 LYS 13 2HD LYS 13 -3.071 -1.924 -9.343 92 HD3 LYS 13 1HD LYS 13 -2.695 -2.859 -7.894 93 HE2 LYS 13 2HE LYS 13 -4.475 -3.945 -9.170 94 HE3 LYS 13 1HE LYS 13 -5.098 -3.388 -7.619 95 HZ1 LYS 13 3HZ LYS 13 -6.658 -2.873 -9.343 96 HZ2 LYS 13 1HZ LYS 13 -5.479 -2.083 -10.264 97 HZ3 LYS 13 2HZ LYS 13 -5.989 -1.420 -8.796 98 H LYS 14 H LYS 14 -6.821 -0.913 -4.838 99 HA LYS 14 HA LYS 14 -6.705 -1.450 -1.959 100 HB2 LYS 14 2HB LYS 14 -6.974 1.049 -2.268 101 HB3 LYS 14 1HB LYS 14 -8.464 0.752 -3.142 102 HG2 LYS 14 2HG LYS 14 -8.058 -0.030 -0.246 103 HG3 LYS 14 1HG LYS 14 -8.663 1.548 -0.741 104 HD2 LYS 14 2HD LYS 14 -10.550 0.268 -1.944 105 HD3 LYS 14 1HD LYS 14 -9.990 -1.162 -1.077 106 HE2 LYS 14 2HE LYS 14 -11.824 -0.219 0.158 107 HE3 LYS 14 1HE LYS 14 -10.351 0.101 1.079 108 HZ1 LYS 14 3HZ LYS 14 -10.322 2.331 0.028 109 HZ2 LYS 14 1HZ LYS 14 -11.667 2.067 1.016 110 HZ3 LYS 14 2HZ LYS 14 -11.825 1.997 -0.664 111 H ARG 15 H ARG 15 -8.216 -2.993 -1.415 112 HA ARG 15 HA ARG 15 -10.792 -3.061 -2.784 113 HE ARG 15 HE ARG 15 -7.151 -5.936 -4.557 114 HB2 ARG 15 2HB ARG 15 -10.840 -5.437 -3.222 115 HB3 ARG 15 1HB ARG 15 -9.387 -4.811 -3.991 116 HG2 ARG 15 2HG ARG 15 -9.215 -5.964 -1.210 117 HG3 ARG 15 1HG ARG 15 -9.316 -7.057 -2.587 118 HD2 ARG 15 2HD ARG 15 -7.247 -4.857 -2.463 119 HD3 ARG 15 1HD ARG 15 -6.988 -6.405 -1.655 120 HH11 ARG 15 1HH1 ARG 15 -6.711 -8.270 -1.937 121 HH12 ARG 15 2HH1 ARG 15 -5.959 -9.451 -2.959 122 HH21 ARG 15 1HH2 ARG 15 -6.158 -7.502 -5.867 123 HH22 ARG 15 2HH2 ARG 15 -5.639 -9.009 -5.189 124 H ILE 16 H ILE 16 -12.438 -3.913 -1.506 125 HA ILE 16 HA ILE 16 -11.780 -5.097 1.121 126 HB ILE 16 HB ILE 16 -13.838 -2.928 0.525 127 HG12 ILE 16 2HG1 ILE 16 -11.924 -3.322 2.844 128 HG13 ILE 16 1HG1 ILE 16 -11.570 -2.323 1.433 129 HG21 ILE 16 1HG2 ILE 16 -13.981 -4.830 2.896 130 HG22 ILE 16 2HG2 ILE 16 -15.154 -4.708 1.581 131 HG23 ILE 16 3HG2 ILE 16 -14.950 -3.365 2.705 132 HD11 ILE 16 3HD1 ILE 16 -13.753 -1.831 3.473 133 HD12 ILE 16 1HD1 ILE 16 -13.418 -0.824 2.062 134 HD13 ILE 16 2HD1 ILE 16 -12.219 -0.972 3.344 135 H ARG 17 H ARG 17 -12.805 -7.002 1.494 136 HA ARG 17 HA ARG 17 -15.296 -7.648 0.180 137 HE ARG 17 HE ARG 17 -16.328 -10.375 -3.495 138 HB2 ARG 17 2HB ARG 17 -13.229 -8.280 -1.386 139 HB3 ARG 17 1HB ARG 17 -13.088 -9.668 -0.318 140 HG2 ARG 17 2HG ARG 17 -15.296 -10.443 -0.920 141 HG3 ARG 17 1HG ARG 17 -15.643 -8.944 -1.782 142 HD2 ARG 17 2HD ARG 17 -13.699 -9.556 -3.344 143 HD3 ARG 17 1HD ARG 17 -13.733 -11.157 -2.590 144 HH11 ARG 17 1HH1 ARG 17 -13.309 -11.748 -4.671 145 HH12 ARG 17 2HH1 ARG 17 -14.026 -12.358 -6.123 146 HH21 ARG 17 1HH2 ARG 17 -17.236 -11.164 -5.403 147 HH22 ARG 17 2HH2 ARG 17 -16.253 -12.029 -6.537 148 H LYS 18 H LYS 18 -16.498 -8.486 1.717 149 HA LYS 18 HA LYS 18 -17.269 -9.383 3.630 150 HB2 LYS 18 2HB LYS 18 -14.893 -11.286 3.450 151 HB3 LYS 18 1HB LYS 18 -16.320 -11.513 4.456 152 HG2 LYS 18 2HG LYS 18 -17.672 -11.494 2.252 153 HG3 LYS 18 1HG LYS 18 -16.117 -11.647 1.429 154 HD2 LYS 18 2HD LYS 18 -17.341 -13.618 3.408 155 HD3 LYS 18 1HD LYS 18 -17.155 -13.848 1.669 156 HE2 LYS 18 2HE LYS 18 -14.891 -13.615 3.677 157 HE3 LYS 18 1HE LYS 18 -15.463 -15.108 2.937 158 HZ1 LYS 18 3HZ LYS 18 -13.486 -14.291 1.845 159 HZ2 LYS 18 1HZ LYS 18 -14.237 -12.816 1.503 160 HZ3 LYS 18 2HZ LYS 18 -14.798 -14.236 0.779 161 H GLY 19 H GLY 19 -15.410 -7.149 3.700 162 HA2 GLY 19 2HA GLY 19 -14.808 -5.723 5.444 163 HA3 GLY 19 1HA GLY 19 -14.866 -7.068 6.568 164 H ARG 20 H ARG 20 -13.106 -8.219 4.088 165 HA ARG 20 HA ARG 20 -10.582 -7.872 5.505 166 HE ARG 20 HE ARG 20 -10.857 -12.081 7.232 167 HB2 ARG 20 2HB ARG 20 -11.505 -9.700 3.263 168 HB3 ARG 20 1HB ARG 20 -9.806 -9.563 3.696 169 HG2 ARG 20 2HG ARG 20 -12.000 -10.416 5.613 170 HG3 ARG 20 1HG ARG 20 -10.949 -11.523 4.725 171 HD2 ARG 20 2HD ARG 20 -8.971 -10.510 5.839 172 HD3 ARG 20 1HD ARG 20 -10.045 -9.450 6.760 173 HH11 ARG 20 1HH1 ARG 20 -8.018 -10.103 7.886 174 HH12 ARG 20 2HH1 ARG 20 -7.608 -10.975 9.326 175 HH21 ARG 20 1HH2 ARG 20 -10.298 -13.206 9.122 176 HH22 ARG 20 2HH2 ARG 20 -8.896 -12.735 10.028 177 H VAL 21 H VAL 21 -9.291 -6.294 4.977 178 HA VAL 21 HA VAL 21 -9.225 -5.256 2.224 179 HB VAL 21 HB VAL 21 -10.470 -3.656 3.523 180 HG11 VAL 21 1HG1 VAL 21 -9.610 -2.483 5.500 181 HG12 VAL 21 2HG1 VAL 21 -8.190 -3.532 5.502 182 HG13 VAL 21 3HG1 VAL 21 -9.790 -4.219 5.785 183 HG21 VAL 21 3HG2 VAL 21 -7.665 -2.595 3.049 184 HG22 VAL 21 1HG2 VAL 21 -9.129 -1.616 3.189 185 HG23 VAL 21 2HG2 VAL 21 -8.940 -2.734 1.838 186 H GLU 22 H GLU 22 -7.351 -5.216 1.323 187 HA GLU 22 HA GLU 22 -4.884 -4.931 2.893 188 HB2 GLU 22 2HB GLU 22 -3.710 -6.490 1.280 189 HB3 GLU 22 1HB GLU 22 -4.837 -7.276 2.370 190 HG2 GLU 22 2HG GLU 22 -5.619 -6.550 -0.461 191 HG3 GLU 22 1HG GLU 22 -4.753 -8.038 -0.097 192 H TYR 23 H TYR 23 -3.297 -3.768 1.918 193 HA TYR 23 HA TYR 23 -4.124 -2.068 -0.351 194 HD1 TYR 23 2HD TYR 23 -5.613 -0.489 0.265 195 HD2 TYR 23 1HD TYR 23 -3.594 -0.715 4.020 196 HE1 TYR 23 2HE TYR 23 -7.626 0.325 1.426 197 HE2 TYR 23 1HE TYR 23 -5.606 0.078 5.175 198 HH TYR 23 HH TYR 23 -7.631 1.366 4.665 199 HB2 TYR 23 2HB TYR 23 -2.433 -1.386 2.091 200 HB3 TYR 23 1HB TYR 23 -2.790 -0.284 0.766 201 H LEU 24 H LEU 24 -2.749 -1.934 -2.025 202 HA LEU 24 HA LEU 24 -0.423 -3.623 -2.174 203 HG LEU 24 HG LEU 24 0.831 -2.544 -4.755 204 HB2 LEU 24 2HB LEU 24 -2.065 -3.160 -4.063 205 HB3 LEU 24 1HB LEU 24 -1.387 -1.545 -4.175 206 HD11 LEU 24 1HD1 LEU 24 -0.665 -5.177 -4.790 207 HD12 LEU 24 2HD1 LEU 24 0.602 -4.710 -3.653 208 HD13 LEU 24 3HD1 LEU 24 0.988 -4.916 -5.357 209 HD21 LEU 24 3HD2 LEU 24 -1.438 -3.415 -6.561 210 HD22 LEU 24 1HD2 LEU 24 0.257 -3.241 -7.032 211 HD23 LEU 24 2HD2 LEU 24 -0.669 -1.825 -6.542 212 H VAL 25 H VAL 25 1.446 -2.999 -1.218 213 HA VAL 25 HA VAL 25 1.974 -0.203 -0.614 214 HB VAL 25 HB VAL 25 3.848 -1.009 0.768 215 HG11 VAL 25 1HG1 VAL 25 1.619 -0.905 1.767 216 HG12 VAL 25 2HG1 VAL 25 2.533 -2.248 2.453 217 HG13 VAL 25 3HG1 VAL 25 1.278 -2.562 1.249 218 HG21 VAL 25 3HG2 VAL 25 4.598 -2.965 -0.551 219 HG22 VAL 25 1HG2 VAL 25 3.123 -3.834 -0.127 220 HG23 VAL 25 2HG2 VAL 25 4.294 -3.418 1.124 221 H LYS 26 H LYS 26 3.245 1.077 -1.759 222 HA LYS 26 HA LYS 26 4.655 0.164 -4.084 223 HB2 LYS 26 2HB LYS 26 3.449 2.467 -3.669 224 HB3 LYS 26 1HB LYS 26 4.960 2.949 -2.916 225 HG2 LYS 26 2HG LYS 26 4.652 1.989 -5.785 226 HG3 LYS 26 1HG LYS 26 4.735 3.677 -5.290 227 HD2 LYS 26 2HD LYS 26 7.049 3.304 -4.456 228 HD3 LYS 26 1HD LYS 26 6.955 1.613 -4.968 229 HE2 LYS 26 2HE LYS 26 8.189 2.994 -6.603 230 HE3 LYS 26 1HE LYS 26 6.721 2.320 -7.313 231 HZ1 LYS 26 3HZ LYS 26 7.038 4.654 -7.898 232 HZ2 LYS 26 1HZ LYS 26 7.009 5.090 -6.261 233 HZ3 LYS 26 2HZ LYS 26 5.624 4.445 -6.989 234 H TRP 27 H TRP 27 6.394 -1.149 -3.537 235 HA TRP 27 HA TRP 27 8.386 -0.421 -1.612 236 HD1 TRP 27 HD TRP 27 6.675 -4.199 -3.293 237 HE1 TRP 27 1HE TRP 27 5.941 -5.369 -1.120 238 HE3 TRP 27 3HE TRP 27 9.639 -1.699 0.030 239 HZ2 TRP 27 2HZ TRP 27 6.534 -5.260 1.627 240 HZ3 TRP 27 3HZ TRP 27 9.494 -2.283 2.411 241 HH2 TRP 27 HH TRP 27 7.979 -4.027 3.197 242 HB2 TRP 27 2HB TRP 27 8.460 -2.403 -3.935 243 HB3 TRP 27 1HB TRP 27 9.759 -2.219 -2.759 244 H ARG 28 H ARG 28 9.247 1.518 -1.864 245 HA ARG 28 HA ARG 28 9.447 2.969 -4.255 246 HE ARG 28 HE ARG 28 10.187 7.843 -3.366 247 HB2 ARG 28 2HB ARG 28 9.270 3.930 -1.920 248 HB3 ARG 28 1HB ARG 28 10.956 3.491 -1.662 249 HG2 ARG 28 2HG ARG 28 11.675 5.007 -3.426 250 HG3 ARG 28 1HG ARG 28 10.000 5.379 -3.838 251 HD2 ARG 28 2HD ARG 28 9.762 6.318 -1.479 252 HD3 ARG 28 1HD ARG 28 11.517 6.137 -1.323 253 HH11 ARG 28 1HH1 ARG 28 12.853 7.320 -1.111 254 HH12 ARG 28 2HH1 ARG 28 13.628 8.818 -1.514 255 HH21 ARG 28 1HH2 ARG 28 11.224 9.789 -3.870 256 HH22 ARG 28 2HH2 ARG 28 12.711 10.205 -3.084 257 H GLY 29 H GLY 29 11.119 3.377 -5.642 258 HA2 GLY 29 2HA GLY 29 13.276 3.270 -6.545 259 HA3 GLY 29 1HA GLY 29 13.758 2.146 -5.279 260 H TRP 30 H TRP 30 11.822 0.218 -5.452 261 HA TRP 30 HA TRP 30 12.403 -1.282 -7.805 262 HD1 TRP 30 HD TRP 30 11.854 -1.419 -3.612 263 HE1 TRP 30 1HE TRP 30 13.668 -2.973 -2.665 264 HE3 TRP 30 3HE TRP 30 12.480 -4.501 -7.654 265 HZ2 TRP 30 2HZ TRP 30 15.173 -5.205 -3.512 266 HZ3 TRP 30 3HZ TRP 30 14.134 -6.321 -7.503 267 HH2 TRP 30 HH TRP 30 15.455 -6.668 -5.469 268 HB2 TRP 30 2HB TRP 30 10.184 -1.695 -5.736 269 HB3 TRP 30 1HB TRP 30 10.650 -2.862 -6.965 270 H SER 31 H SER 31 10.867 -1.948 -9.438 271 HA SER 31 HA SER 31 9.185 0.046 -10.527 272 HG SER 31 HG SER 31 10.815 -0.839 -12.099 273 HB2 SER 31 2HB SER 31 9.194 -2.940 -11.109 274 HB3 SER 31 1HB SER 31 8.570 -1.668 -12.167 275 HA PRO 32 HA PRO 32 5.479 -0.501 -8.095 276 HB2 PRO 32 2HB PRO 32 3.525 0.248 -9.910 277 HB3 PRO 32 1HB PRO 32 4.563 1.385 -9.040 278 HG2 PRO 32 2HG PRO 32 4.857 0.301 -11.837 279 HG3 PRO 32 1HG PRO 32 5.064 1.967 -11.259 280 HD2 PRO 32 2HD PRO 32 7.188 0.371 -11.732 281 HD3 PRO 32 1HD PRO 32 7.193 1.533 -10.382 282 H LYS 33 H LYS 33 6.072 -2.498 -10.817 283 HA LYS 33 HA LYS 33 3.763 -4.215 -10.522 284 HB2 LYS 33 2HB LYS 33 4.960 -5.718 -12.095 285 HB3 LYS 33 1HB LYS 33 4.863 -4.062 -12.686 286 HG2 LYS 33 2HG LYS 33 7.221 -3.694 -11.939 287 HG3 LYS 33 1HG LYS 33 7.303 -5.394 -11.456 288 HD2 LYS 33 2HD LYS 33 6.913 -6.083 -13.795 289 HD3 LYS 33 1HD LYS 33 6.773 -4.393 -14.287 290 HE2 LYS 33 2HE LYS 33 9.123 -4.018 -13.599 291 HE3 LYS 33 1HE LYS 33 9.254 -5.719 -13.146 292 HZ1 LYS 33 3HZ LYS 33 8.706 -4.686 -15.875 293 HZ2 LYS 33 1HZ LYS 33 8.810 -6.321 -15.446 294 HZ3 LYS 33 2HZ LYS 33 10.172 -5.324 -15.325 295 H TYR 34 H TYR 34 6.843 -3.943 -8.939 296 HA TYR 34 HA TYR 34 6.893 -6.663 -7.880 297 HD1 TYR 34 1HD TYR 34 8.635 -7.686 -8.843 298 HD2 TYR 34 2HD TYR 34 10.299 -3.751 -8.922 299 HE1 TYR 34 1HE TYR 34 9.956 -8.287 -10.819 300 HE2 TYR 34 2HE TYR 34 11.621 -4.351 -10.907 301 HH TYR 34 HH TYR 34 12.502 -6.381 -11.996 302 HB2 TYR 34 2HB TYR 34 8.668 -4.248 -7.305 303 HB3 TYR 34 1HB TYR 34 8.948 -5.862 -6.660 304 H ASN 35 H ASN 35 5.024 -4.095 -7.125 305 HA ASN 35 HA ASN 35 5.240 -3.830 -4.305 306 HB2 ASN 35 2HB ASN 35 2.922 -3.238 -6.186 307 HB3 ASN 35 1HB ASN 35 2.977 -2.744 -4.493 308 HD21 ASN 35 1HD2 ASN 35 2.667 -0.929 -6.575 309 HD22 ASN 35 2HD2 ASN 35 4.065 0.082 -6.640 310 H THR 36 H THR 36 4.092 -4.819 -2.627 311 HA THR 36 HA THR 36 2.618 -7.316 -3.294 312 HB THR 36 HB THR 36 3.315 -8.169 -1.064 313 HG1 THR 36 1HG THR 36 3.733 -6.506 0.237 314 HG21 THR 36 3HG2 THR 36 5.683 -7.227 -2.718 315 HG22 THR 36 1HG2 THR 36 4.750 -8.699 -3.004 316 HG23 THR 36 2HG2 THR 36 5.712 -8.535 -1.532 317 H TRP 37 H TRP 37 0.652 -7.729 -2.221 318 HA TRP 37 HA TRP 37 -0.773 -5.526 -1.015 319 HD1 TRP 37 HD TRP 37 -1.117 -8.493 -4.025 320 HE1 TRP 37 1HE TRP 37 -2.319 -7.327 -5.980 321 HE3 TRP 37 3HE TRP 37 -3.754 -4.994 -1.392 322 HZ2 TRP 37 2HZ TRP 37 -4.125 -5.215 -6.354 323 HZ3 TRP 37 3HZ TRP 37 -5.191 -3.428 -2.631 324 HH2 TRP 37 HH TRP 37 -5.368 -3.542 -5.062 325 HB2 TRP 37 2HB TRP 37 -1.521 -8.462 -1.374 326 HB3 TRP 37 1HB TRP 37 -2.614 -7.232 -0.744 327 H GLU 38 H GLU 38 -0.749 -5.025 1.077 328 HA GLU 38 HA GLU 38 -0.093 -7.051 3.140 329 HB2 GLU 38 2HB GLU 38 0.550 -4.065 3.099 330 HB3 GLU 38 1HB GLU 38 0.828 -5.128 4.475 331 HG2 GLU 38 2HG GLU 38 2.183 -5.299 1.765 332 HG3 GLU 38 1HG GLU 38 2.895 -4.691 3.254 333 HA PRO 39 HA PRO 39 -4.357 -6.123 4.452 334 HB2 PRO 39 2HB PRO 39 -4.098 -7.148 7.049 335 HB3 PRO 39 1HB PRO 39 -4.512 -8.098 5.617 336 HG2 PRO 39 2HG PRO 39 -1.827 -7.709 6.929 337 HG3 PRO 39 1HG PRO 39 -2.550 -9.199 6.287 338 HD2 PRO 39 2HD PRO 39 -0.685 -7.877 4.885 339 HD3 PRO 39 1HD PRO 39 -2.080 -8.609 4.048 340 H GLU 40 H GLU 40 -5.437 -4.845 6.028 341 HA GLU 40 HA GLU 40 -4.430 -2.304 6.409 342 HB2 GLU 40 2HB GLU 40 -6.411 -1.810 7.719 343 HB3 GLU 40 1HB GLU 40 -6.855 -2.918 6.435 344 HG2 GLU 40 2HG GLU 40 -6.465 -3.636 9.362 345 HG3 GLU 40 1HG GLU 40 -8.007 -3.467 8.534 346 H GLU 41 H GLU 41 -4.185 -5.042 8.560 347 HA GLU 41 HA GLU 41 -3.338 -3.662 10.907 348 HB2 GLU 41 2HB GLU 41 -2.697 -5.940 11.707 349 HB3 GLU 41 1HB GLU 41 -4.339 -5.852 11.081 350 HG2 GLU 41 2HG GLU 41 -3.494 -6.835 8.919 351 HG3 GLU 41 1HG GLU 41 -1.928 -7.069 9.697 352 H ASN 42 H ASN 42 -1.598 -5.116 8.152 353 HA ASN 42 HA ASN 42 1.037 -4.491 9.203 354 HB2 ASN 42 2HB ASN 42 0.164 -5.360 6.411 355 HB3 ASN 42 1HB ASN 42 1.843 -5.134 6.890 356 HD21 ASN 42 1HD2 ASN 42 0.852 -7.531 5.881 357 HD22 ASN 42 2HD2 ASN 42 0.932 -8.733 7.121 358 H ILE 43 H ILE 43 -1.417 -2.635 7.922 359 HA ILE 43 HA ILE 43 0.390 -0.490 6.976 360 HB ILE 43 HB ILE 43 -2.617 -0.768 6.445 361 HG12 ILE 43 2HG1 ILE 43 -1.381 -2.552 5.273 362 HG13 ILE 43 1HG1 ILE 43 -1.991 -1.381 4.116 363 HG21 ILE 43 1HG2 ILE 43 -0.591 1.171 5.249 364 HG22 ILE 43 2HG2 ILE 43 -1.857 1.578 6.410 365 HG23 ILE 43 3HG2 ILE 43 -2.291 1.039 4.788 366 HD11 ILE 43 3HD1 ILE 43 0.843 -1.599 5.102 367 HD12 ILE 43 1HD1 ILE 43 0.249 -0.392 3.958 368 HD13 ILE 43 2HD1 ILE 43 0.223 -2.104 3.534 369 H LEU 44 H LEU 44 0.775 -0.455 9.365 370 HA LEU 44 HA LEU 44 -1.263 0.716 11.068 371 HG LEU 44 HG LEU 44 0.650 1.656 13.360 372 HB2 LEU 44 2HB LEU 44 0.427 -0.984 11.865 373 HB3 LEU 44 1HB LEU 44 1.692 0.208 11.624 374 HD11 LEU 44 1HD1 LEU 44 -1.676 0.985 13.124 375 HD12 LEU 44 2HD1 LEU 44 -1.142 0.796 14.793 376 HD13 LEU 44 3HD1 LEU 44 -1.304 -0.624 13.752 377 HD21 LEU 44 3HD2 LEU 44 1.237 -1.160 14.315 378 HD22 LEU 44 1HD2 LEU 44 1.264 0.301 15.308 379 HD23 LEU 44 2HD2 LEU 44 2.431 0.105 14.001 380 H ASP 45 H ASP 45 1.424 1.719 9.120 381 HA ASP 45 HA ASP 45 2.071 4.236 10.161 382 HB2 ASP 45 2HB ASP 45 3.444 3.001 8.504 383 HB3 ASP 45 1HB ASP 45 2.218 3.267 7.275 384 HA PRO 46 HA PRO 46 -1.854 6.213 9.231 385 HB2 PRO 46 2HB PRO 46 -1.371 8.680 10.248 386 HB3 PRO 46 1HB PRO 46 -1.534 7.259 11.291 387 HG2 PRO 46 2HG PRO 46 0.988 8.587 10.285 388 HG3 PRO 46 1HG PRO 46 0.593 8.066 11.936 389 HD2 PRO 46 2HD PRO 46 2.126 6.562 10.251 390 HD3 PRO 46 1HD PRO 46 1.065 5.829 11.477 391 H ARG 47 H ARG 47 1.193 7.375 7.952 392 HA ARG 47 HA ARG 47 0.137 9.474 6.286 393 HE ARG 47 HE ARG 47 4.555 9.909 5.312 394 HB2 ARG 47 2HB ARG 47 2.830 8.060 6.299 395 HB3 ARG 47 1HB ARG 47 2.450 9.442 5.273 396 HG2 ARG 47 2HG ARG 47 2.125 10.866 7.232 397 HG3 ARG 47 1HG ARG 47 2.374 9.486 8.309 398 HD2 ARG 47 2HD ARG 47 4.372 11.008 8.063 399 HD3 ARG 47 1HD ARG 47 4.687 9.313 7.682 400 HH11 ARG 47 1HH1 ARG 47 5.099 12.600 7.515 401 HH12 ARG 47 2HH1 ARG 47 5.853 13.576 6.301 402 HH21 ARG 47 1HH2 ARG 47 5.520 11.188 3.755 403 HH22 ARG 47 2HH2 ARG 47 6.103 12.770 4.162 404 H LEU 48 H LEU 48 0.852 6.040 5.860 405 HA LEU 48 HA LEU 48 0.311 5.812 3.079 406 HG LEU 48 HG LEU 48 2.175 4.241 5.251 407 HB2 LEU 48 2HB LEU 48 -0.228 3.798 5.305 408 HB3 LEU 48 1HB LEU 48 -0.237 3.423 3.588 409 HD11 LEU 48 1HD1 LEU 48 3.011 1.986 4.791 410 HD12 LEU 48 2HD1 LEU 48 1.520 1.588 3.934 411 HD13 LEU 48 3HD1 LEU 48 1.480 1.941 5.664 412 HD21 LEU 48 3HD2 LEU 48 3.524 3.858 3.231 413 HD22 LEU 48 1HD2 LEU 48 2.396 5.198 3.030 414 HD23 LEU 48 2HD2 LEU 48 2.050 3.635 2.283 415 H LEU 49 H LEU 49 -1.720 5.787 5.959 416 HA LEU 49 HA LEU 49 -4.217 5.237 4.688 417 HG LEU 49 HG LEU 49 -2.673 4.102 7.163 418 HB2 LEU 49 2HB LEU 49 -3.595 6.419 7.415 419 HB3 LEU 49 1HB LEU 49 -5.174 5.829 6.913 420 HD11 LEU 49 1HD1 LEU 49 -5.034 4.315 9.053 421 HD12 LEU 49 2HD1 LEU 49 -3.388 4.884 9.355 422 HD13 LEU 49 3HD1 LEU 49 -3.701 3.160 9.175 423 HD21 LEU 49 3HD2 LEU 49 -4.210 2.191 6.918 424 HD22 LEU 49 1HD2 LEU 49 -4.221 3.224 5.489 425 HD23 LEU 49 2HD2 LEU 49 -5.558 3.300 6.640 426 H ILE 50 H ILE 50 -2.424 8.216 5.337 427 HA ILE 50 HA ILE 50 -4.521 10.071 4.733 428 HB ILE 50 HB ILE 50 -1.498 10.359 4.392 429 HG12 ILE 50 2HG1 ILE 50 -3.305 11.407 6.612 430 HG13 ILE 50 1HG1 ILE 50 -2.269 9.995 6.748 431 HG21 ILE 50 1HG2 ILE 50 -1.864 12.804 4.279 432 HG22 ILE 50 2HG2 ILE 50 -3.609 12.546 4.281 433 HG23 ILE 50 3HG2 ILE 50 -2.634 11.968 2.926 434 HD11 ILE 50 3HD1 ILE 50 -1.290 11.924 7.837 435 HD12 ILE 50 1HD1 ILE 50 -1.334 12.833 6.326 436 HD13 ILE 50 2HD1 ILE 50 -0.295 11.412 6.475 437 H ALA 51 H ALA 51 -1.929 8.585 2.812 438 HA ALA 51 HA ALA 51 -2.595 9.626 0.276 439 HB1 ALA 51 1HB ALA 51 -1.147 7.041 0.951 440 HB2 ALA 51 2HB ALA 51 -0.400 8.636 0.841 441 HB3 ALA 51 3HB ALA 51 -1.094 7.890 -0.598 442 H PHE 52 H PHE 52 -3.769 6.862 2.065 443 HA PHE 52 HA PHE 52 -5.338 5.568 0.097 444 HD1 PHE 52 1HD PHE 52 -6.882 3.288 0.644 445 HD2 PHE 52 2HD PHE 52 -7.390 5.595 4.211 446 HE1 PHE 52 1HE PHE 52 -9.105 2.314 0.976 447 HE2 PHE 52 2HE PHE 52 -9.618 4.604 4.528 448 HZ PHE 52 HZ PHE 52 -10.474 2.962 2.909 449 HB2 PHE 52 2HB PHE 52 -4.896 4.312 2.049 450 HB3 PHE 52 1HB PHE 52 -5.318 5.637 3.118 451 H GLN 53 H GLN 53 -6.171 8.075 2.541 452 HA GLN 53 HA GLN 53 -8.922 8.309 1.790 453 HB2 GLN 53 2HB GLN 53 -7.119 10.251 3.291 454 HB3 GLN 53 1HB GLN 53 -8.858 10.473 3.090 455 HG2 GLN 53 2HG GLN 53 -9.228 8.318 4.294 456 HG3 GLN 53 1HG GLN 53 -7.489 8.215 4.582 457 HE21 GLN 53 1HE2 GLN 53 -9.666 8.402 6.542 458 HE22 GLN 53 2HE2 GLN 53 -9.339 9.810 7.482 459 H ASN 54 H ASN 54 -5.983 9.871 0.672 460 HA ASN 54 HA ASN 54 -7.139 11.877 -0.987 461 HB2 ASN 54 2HB ASN 54 -4.442 10.455 -1.197 462 HB3 ASN 54 1HB ASN 54 -4.890 11.873 -2.143 463 HD21 ASN 54 1HD2 ASN 54 -2.719 11.474 -0.180 464 HD22 ASN 54 2HD2 ASN 54 -2.936 12.722 0.995 465 H ARG 55 H ARG 55 -6.345 8.464 -1.451 466 HA ARG 55 HA ARG 55 -7.015 8.277 -4.220 467 HE ARG 55 HE ARG 55 -6.590 2.728 -5.461 468 HB2 ARG 55 2HB ARG 55 -5.602 6.567 -3.135 469 HB3 ARG 55 1HB ARG 55 -6.926 6.132 -2.056 470 HG2 ARG 55 2HG ARG 55 -8.255 5.446 -4.084 471 HG3 ARG 55 1HG ARG 55 -6.813 5.726 -5.057 472 HD2 ARG 55 2HD ARG 55 -5.630 3.954 -3.788 473 HD3 ARG 55 1HD ARG 55 -7.077 3.698 -2.802 474 HH11 ARG 55 1HH1 ARG 55 -9.188 3.595 -3.215 475 HH12 ARG 55 2HH1 ARG 55 -10.399 2.750 -4.124 476 HH21 ARG 55 1HH2 ARG 55 -8.217 1.620 -6.602 477 HH22 ARG 55 2HH2 ARG 55 -9.844 1.625 -6.015 478 H GLU 56 H GLU 56 -8.848 7.811 -1.195 479 HA GLU 56 HA GLU 56 -11.281 6.933 -2.470 480 HB2 GLU 56 2HB GLU 56 -10.950 8.075 0.339 481 HB3 GLU 56 1HB GLU 56 -12.319 7.142 -0.262 482 HG2 GLU 56 2HG GLU 56 -9.501 6.156 0.224 483 HG3 GLU 56 1HG GLU 56 -10.943 5.739 1.139 484 H ARG 57 H ARG 57 -9.841 10.003 -1.864 485 HA ARG 57 HA ARG 57 -12.196 11.630 -2.130 486 HE ARG 57 HE ARG 57 -8.450 14.679 -3.652 487 HB2 ARG 57 2HB ARG 57 -10.121 12.387 -0.957 488 HB3 ARG 57 1HB ARG 57 -9.258 12.371 -2.492 489 HG2 ARG 57 2HG ARG 57 -10.892 14.117 -3.327 490 HG3 ARG 57 1HG ARG 57 -11.551 14.200 -1.689 491 HD2 ARG 57 2HD ARG 57 -9.933 15.999 -2.080 492 HD3 ARG 57 1HD ARG 57 -9.342 14.891 -0.836 493 HH11 ARG 57 1HH1 ARG 57 -7.628 15.019 -0.252 494 HH12 ARG 57 2HH1 ARG 57 -5.924 14.886 -0.535 495 HH21 ARG 57 1HH2 ARG 57 -6.229 14.548 -4.011 496 HH22 ARG 57 2HH2 ARG 57 -5.130 14.650 -2.678 497 H GLN 58 H GLN 58 -10.099 9.964 -4.346 498 HA GLN 58 HA GLN 58 -10.228 11.678 -6.588 499 HB2 GLN 58 2HB GLN 58 -9.827 8.658 -6.539 500 HB3 GLN 58 1HB GLN 58 -9.556 9.690 -7.941 501 HG2 GLN 58 2HG GLN 58 -8.036 9.761 -5.322 502 HG3 GLN 58 1HG GLN 58 -7.450 9.132 -6.859 503 HE21 GLN 58 1HE2 GLN 58 -6.481 11.295 -5.065 504 HE22 GLN 58 2HE2 GLN 58 -6.301 12.673 -6.086 505 H GLU 59 H GLU 59 -12.037 12.349 -7.410 506 HA GLU 59 HA GLU 59 -14.422 10.672 -7.781 507 HB2 GLU 59 2HB GLU 59 -15.529 12.857 -8.312 508 HB3 GLU 59 1HB GLU 59 -14.757 12.873 -6.728 509 HG2 GLU 59 2HG GLU 59 -12.803 14.061 -7.756 510 HG3 GLU 59 1HG GLU 59 -13.693 14.133 -9.276 511 H GLN 60 H GLN 60 -12.018 10.200 -9.326 512 HA GLN 60 HA GLN 60 -11.971 11.540 -11.831 513 HB2 GLN 60 2HB GLN 60 -10.657 8.919 -10.988 514 HB3 GLN 60 1HB GLN 60 -10.230 9.863 -12.411 515 HG2 GLN 60 2HG GLN 60 -9.950 10.884 -9.567 516 HG3 GLN 60 1HG GLN 60 -8.660 10.070 -10.448 517 HE21 GLN 60 1HE2 GLN 60 -7.309 11.869 -10.286 518 HE22 GLN 60 2HE2 GLN 60 -7.553 13.303 -11.217 Start of MODEL 5 1 H1 GLY 1 1HT GLY 1 25.583 -2.486 1.090 2 H2 GLY 1 2HT GLY 1 27.047 -1.941 0.453 3 H3 GLY 1 3HT GLY 1 26.128 -3.079 -0.389 4 HA2 GLY 1 1HA GLY 1 25.371 -0.274 0.147 5 HA3 GLY 1 2HA GLY 1 25.884 -0.935 -1.404 6 H SER 2 H SER 2 24.081 -0.827 -2.651 7 HA SER 2 HA SER 2 21.410 -1.282 -1.649 8 HG SER 2 HG SER 2 21.036 1.172 -3.778 9 HB2 SER 2 2HB SER 2 22.421 -0.865 -4.501 10 HB3 SER 2 1HB SER 2 20.722 -0.895 -4.026 11 H GLU 3 H GLU 3 21.536 -3.408 -0.855 12 HA GLU 3 HA GLU 3 22.029 -5.695 -2.570 13 HB2 GLU 3 2HB GLU 3 20.712 -5.564 0.192 14 HB3 GLU 3 1HB GLU 3 21.326 -7.018 -0.599 15 HG2 GLU 3 2HG GLU 3 23.621 -6.093 -0.469 16 HG3 GLU 3 1HG GLU 3 22.991 -4.656 0.336 17 H HIS 4 H HIS 4 19.218 -4.590 -0.728 18 HA HIS 4 HA HIS 4 17.342 -4.695 -2.879 19 HD1 HIS 4 1HD HIS 4 19.008 -8.318 -1.396 20 HD2 HIS 4 2HD HIS 4 16.170 -6.765 1.212 21 HE1 HIS 4 1HE HIS 4 19.500 -9.370 0.824 22 HE2 HIS 4 2HE HIS 4 17.771 -8.429 2.387 23 HB2 HIS 4 2HB HIS 4 15.840 -6.440 -1.659 24 HB3 HIS 4 1HB HIS 4 17.188 -7.053 -2.604 25 H VAL 5 H VAL 5 17.089 -2.558 -2.264 26 HA VAL 5 HA VAL 5 16.458 -1.788 0.449 27 HB VAL 5 HB VAL 5 16.167 0.538 -0.531 28 HG11 VAL 5 1HG1 VAL 5 18.791 -0.872 -1.186 29 HG12 VAL 5 2HG1 VAL 5 18.335 -0.197 0.380 30 HG13 VAL 5 3HG1 VAL 5 18.579 0.874 -0.999 31 HG21 VAL 5 3HG2 VAL 5 17.018 -0.794 -3.147 32 HG22 VAL 5 1HG2 VAL 5 16.878 0.950 -2.886 33 HG23 VAL 5 2HG2 VAL 5 15.443 -0.073 -2.819 34 H PHE 6 H PHE 6 14.542 -2.006 1.324 35 HA PHE 6 HA PHE 6 12.061 -1.847 -0.291 36 HD1 PHE 6 2HD PHE 6 10.204 -4.320 -0.294 37 HD2 PHE 6 1HD PHE 6 14.204 -4.955 1.082 38 HE1 PHE 6 2HE PHE 6 10.375 -6.331 -1.696 39 HE2 PHE 6 1HE PHE 6 14.358 -6.964 -0.325 40 HZ PHE 6 HZ PHE 6 12.451 -7.651 -1.714 41 HB2 PHE 6 2HB PHE 6 12.692 -3.401 2.262 42 HB3 PHE 6 1HB PHE 6 11.050 -3.148 1.690 43 H ALA 7 H ALA 7 10.933 -0.039 0.056 44 HA ALA 7 HA ALA 7 10.364 0.897 2.741 45 HB1 ALA 7 1HB ALA 7 10.990 3.255 2.310 46 HB2 ALA 7 2HB ALA 7 11.659 2.806 0.736 47 HB3 ALA 7 3HB ALA 7 12.406 2.206 2.218 48 H VAL 8 H VAL 8 8.213 1.179 2.760 49 HA VAL 8 HA VAL 8 6.675 1.364 0.331 50 HB VAL 8 HB VAL 8 5.662 1.671 3.191 51 HG11 VAL 8 1HG1 VAL 8 4.152 1.003 0.623 52 HG12 VAL 8 2HG1 VAL 8 4.065 2.525 1.511 53 HG13 VAL 8 3HG1 VAL 8 3.450 1.043 2.244 54 HG21 VAL 8 3HG2 VAL 8 5.054 -0.716 3.114 55 HG22 VAL 8 1HG2 VAL 8 6.798 -0.499 2.941 56 HG23 VAL 8 2HG2 VAL 8 5.810 -0.871 1.526 57 H GLU 9 H GLU 9 5.828 3.122 -0.578 58 HA GLU 9 HA GLU 9 6.516 5.788 0.402 59 HB2 GLU 9 2HB GLU 9 7.089 5.348 -1.913 60 HB3 GLU 9 1HB GLU 9 5.474 4.744 -2.262 61 HG2 GLU 9 2HG GLU 9 4.556 7.027 -1.900 62 HG3 GLU 9 1HG GLU 9 6.187 7.615 -1.581 63 H SER 10 H SER 10 3.679 4.064 -0.927 64 HA SER 10 HA SER 10 1.766 5.541 0.650 65 HG SER 10 HG SER 10 2.702 7.479 -0.043 66 HB2 SER 10 2HB SER 10 2.093 6.124 -2.332 67 HB3 SER 10 1HB SER 10 0.655 6.569 -1.411 68 H ILE 11 H ILE 11 -0.496 5.044 -0.123 69 HA ILE 11 HA ILE 11 -0.798 2.259 -0.971 70 HB ILE 11 HB ILE 11 -2.740 4.273 0.253 71 HG12 ILE 11 2HG1 ILE 11 -1.607 1.647 1.342 72 HG13 ILE 11 1HG1 ILE 11 -1.008 3.248 1.765 73 HG21 ILE 11 1HG2 ILE 11 -4.435 2.460 0.337 74 HG22 ILE 11 2HG2 ILE 11 -3.363 1.411 -0.592 75 HG23 ILE 11 3HG2 ILE 11 -4.017 2.876 -1.329 76 HD11 ILE 11 3HD1 ILE 11 -3.109 3.775 2.840 77 HD12 ILE 11 1HD1 ILE 11 -2.430 2.285 3.486 78 HD13 ILE 11 2HD1 ILE 11 -3.778 2.213 2.354 79 H GLU 12 H GLU 12 -1.473 1.725 -2.935 80 HA GLU 12 HA GLU 12 -1.786 3.855 -4.963 81 HB2 GLU 12 2HB GLU 12 -0.909 0.948 -5.304 82 HB3 GLU 12 1HB GLU 12 -0.915 2.185 -6.564 83 HG2 GLU 12 2HG GLU 12 0.820 2.188 -4.068 84 HG3 GLU 12 1HG GLU 12 1.345 1.750 -5.694 85 H LYS 13 H LYS 13 -3.136 0.788 -3.846 86 HA LYS 13 HA LYS 13 -5.725 1.479 -5.001 87 HB2 LYS 13 2HB LYS 13 -4.240 -1.103 -5.635 88 HB3 LYS 13 1HB LYS 13 -5.996 -1.011 -5.717 89 HG2 LYS 13 2HG LYS 13 -5.725 0.868 -7.402 90 HG3 LYS 13 1HG LYS 13 -3.992 0.517 -7.419 91 HD2 LYS 13 2HD LYS 13 -6.163 -1.519 -8.077 92 HD3 LYS 13 1HD LYS 13 -5.317 -0.559 -9.294 93 HE2 LYS 13 2HE LYS 13 -3.942 -2.464 -7.367 94 HE3 LYS 13 1HE LYS 13 -4.435 -2.890 -9.006 95 HZ1 LYS 13 3HZ LYS 13 -2.539 -0.716 -8.320 96 HZ2 LYS 13 1HZ LYS 13 -2.972 -1.210 -9.876 97 HZ3 LYS 13 2HZ LYS 13 -2.098 -2.250 -8.870 98 H LYS 14 H LYS 14 -7.383 -0.226 -4.237 99 HA LYS 14 HA LYS 14 -7.038 -1.019 -1.443 100 HB2 LYS 14 2HB LYS 14 -7.406 1.447 -1.385 101 HB3 LYS 14 1HB LYS 14 -8.856 1.282 -2.357 102 HG2 LYS 14 2HG LYS 14 -8.655 -0.009 0.375 103 HG3 LYS 14 1HG LYS 14 -9.055 1.700 0.205 104 HD2 LYS 14 2HD LYS 14 -11.014 1.031 -1.230 105 HD3 LYS 14 1HD LYS 14 -10.640 -0.659 -0.885 106 HE2 LYS 14 2HE LYS 14 -12.439 0.128 0.568 107 HE3 LYS 14 1HE LYS 14 -11.002 -0.221 1.531 108 HZ1 LYS 14 3HZ LYS 14 -10.478 2.165 1.439 109 HZ2 LYS 14 1HZ LYS 14 -11.938 1.847 2.226 110 HZ3 LYS 14 2HZ LYS 14 -11.936 2.442 0.644 111 H ARG 15 H ARG 15 -8.539 -2.631 -0.910 112 HA ARG 15 HA ARG 15 -11.149 -2.655 -2.165 113 HE ARG 15 HE ARG 15 -7.516 -7.230 -0.730 114 HB2 ARG 15 2HB ARG 15 -11.144 -4.766 -3.199 115 HB3 ARG 15 1HB ARG 15 -9.581 -4.120 -3.669 116 HG2 ARG 15 2HG ARG 15 -9.922 -6.007 -1.318 117 HG3 ARG 15 1HG ARG 15 -9.683 -6.591 -2.962 118 HD2 ARG 15 2HD ARG 15 -7.508 -5.338 -3.004 119 HD3 ARG 15 1HD ARG 15 -7.759 -4.937 -1.302 120 HH11 ARG 15 1HH1 ARG 15 -6.888 -6.684 -4.155 121 HH12 ARG 15 2HH1 ARG 15 -5.964 -8.137 -4.331 122 HH21 ARG 15 1HH2 ARG 15 -6.307 -9.130 -0.985 123 HH22 ARG 15 2HH2 ARG 15 -5.629 -9.521 -2.530 124 H ILE 16 H ILE 16 -12.668 -4.021 -1.089 125 HA ILE 16 HA ILE 16 -11.777 -5.387 1.385 126 HB ILE 16 HB ILE 16 -14.377 -3.837 0.947 127 HG12 ILE 16 2HG1 ILE 16 -12.213 -3.649 3.063 128 HG13 ILE 16 1HG1 ILE 16 -12.385 -2.537 1.706 129 HG21 ILE 16 1HG2 ILE 16 -13.730 -5.721 3.266 130 HG22 ILE 16 2HG2 ILE 16 -14.963 -5.987 2.030 131 HG23 ILE 16 3HG2 ILE 16 -15.137 -4.658 3.175 132 HD11 ILE 16 3HD1 ILE 16 -13.191 -1.532 3.739 133 HD12 ILE 16 1HD1 ILE 16 -14.307 -2.869 4.012 134 HD13 ILE 16 2HD1 ILE 16 -14.543 -1.784 2.637 135 H ARG 17 H ARG 17 -12.170 -7.463 1.391 136 HA ARG 17 HA ARG 17 -14.386 -8.701 0.035 137 HE ARG 17 HE ARG 17 -12.401 -13.104 -2.986 138 HB2 ARG 17 2HB ARG 17 -12.777 -8.496 -1.832 139 HB3 ARG 17 1HB ARG 17 -11.523 -9.271 -0.873 140 HG2 ARG 17 2HG ARG 17 -12.854 -11.383 -0.869 141 HG3 ARG 17 1HG ARG 17 -14.079 -10.591 -1.868 142 HD2 ARG 17 2HD ARG 17 -12.359 -10.225 -3.636 143 HD3 ARG 17 1HD ARG 17 -11.181 -11.089 -2.644 144 HH11 ARG 17 1HH1 ARG 17 -13.578 -10.460 -4.963 145 HH12 ARG 17 2HH1 ARG 17 -14.419 -11.492 -6.069 146 HH21 ARG 17 1HH2 ARG 17 -13.482 -14.462 -4.459 147 HH22 ARG 17 2HH2 ARG 17 -14.334 -13.767 -5.797 148 H LYS 18 H LYS 18 -15.007 -10.458 1.194 149 HA LYS 18 HA LYS 18 -15.195 -11.987 2.841 150 HB2 LYS 18 2HB LYS 18 -12.227 -12.352 2.277 151 HB3 LYS 18 1HB LYS 18 -13.110 -13.366 3.417 152 HG2 LYS 18 2HG LYS 18 -14.637 -14.054 1.529 153 HG3 LYS 18 1HG LYS 18 -13.591 -13.147 0.423 154 HD2 LYS 18 2HD LYS 18 -11.695 -14.595 0.937 155 HD3 LYS 18 1HD LYS 18 -12.602 -15.407 2.217 156 HE2 LYS 18 2HE LYS 18 -13.278 -15.522 -0.750 157 HE3 LYS 18 1HE LYS 18 -12.454 -16.786 0.169 158 HZ1 LYS 18 3HZ LYS 18 -15.221 -15.807 0.608 159 HZ2 LYS 18 1HZ LYS 18 -14.434 -16.924 1.599 160 HZ3 LYS 18 2HZ LYS 18 -14.765 -17.309 -0.009 161 H GLY 19 H GLY 19 -14.788 -9.246 3.538 162 HA2 GLY 19 2HA GLY 19 -14.663 -7.953 5.419 163 HA3 GLY 19 1HA GLY 19 -14.373 -9.410 6.354 164 H ARG 20 H ARG 20 -12.286 -8.721 3.683 165 HA ARG 20 HA ARG 20 -10.067 -7.999 5.500 166 HE ARG 20 HE ARG 20 -7.375 -10.536 2.764 167 HB2 ARG 20 2HB ARG 20 -9.951 -9.429 2.807 168 HB3 ARG 20 1HB ARG 20 -8.546 -8.913 3.745 169 HG2 ARG 20 2HG ARG 20 -9.104 -10.484 5.523 170 HG3 ARG 20 1HG ARG 20 -10.603 -10.932 4.698 171 HD2 ARG 20 2HD ARG 20 -8.774 -12.599 4.383 172 HD3 ARG 20 1HD ARG 20 -9.366 -11.926 2.866 173 HH11 ARG 20 1HH1 ARG 20 -7.232 -13.174 5.074 174 HH12 ARG 20 2HH1 ARG 20 -5.499 -13.251 5.060 175 HH21 ARG 20 1HH2 ARG 20 -5.106 -10.623 2.776 176 HH22 ARG 20 2HH2 ARG 20 -4.299 -11.803 3.758 177 H VAL 21 H VAL 21 -9.664 -5.908 5.364 178 HA VAL 21 HA VAL 21 -9.932 -4.482 2.814 179 HB VAL 21 HB VAL 21 -10.956 -3.404 4.786 180 HG11 VAL 21 1HG1 VAL 21 -9.651 -2.437 6.633 181 HG12 VAL 21 2HG1 VAL 21 -8.183 -3.188 6.004 182 HG13 VAL 21 3HG1 VAL 21 -9.505 -4.197 6.593 183 HG21 VAL 21 3HG2 VAL 21 -8.595 -1.869 3.654 184 HG22 VAL 21 1HG2 VAL 21 -9.995 -1.145 4.452 185 HG23 VAL 21 2HG2 VAL 21 -10.198 -2.018 2.934 186 H GLU 22 H GLU 22 -8.223 -4.677 1.550 187 HA GLU 22 HA GLU 22 -5.496 -4.748 2.707 188 HB2 GLU 22 2HB GLU 22 -6.539 -6.284 0.288 189 HB3 GLU 22 1HB GLU 22 -4.861 -6.270 0.832 190 HG2 GLU 22 2HG GLU 22 -5.464 -7.395 2.894 191 HG3 GLU 22 1HG GLU 22 -7.181 -7.284 2.512 192 H TYR 23 H TYR 23 -3.970 -3.584 1.731 193 HA TYR 23 HA TYR 23 -4.805 -1.622 -0.316 194 HD1 TYR 23 1HD TYR 23 -6.334 -0.555 0.707 195 HD2 TYR 23 2HD TYR 23 -3.685 -0.224 4.051 196 HE1 TYR 23 1HE TYR 23 -8.194 0.187 2.122 197 HE2 TYR 23 2HE TYR 23 -5.555 0.508 5.469 198 HH TYR 23 HH TYR 23 -7.705 1.434 5.331 199 HB2 TYR 23 2HB TYR 23 -2.890 -1.228 2.033 200 HB3 TYR 23 1HB TYR 23 -3.341 -0.001 0.851 201 H LEU 24 H LEU 24 -3.128 -0.861 -1.688 202 HA LEU 24 HA LEU 24 -1.060 -2.884 -2.229 203 HG LEU 24 HG LEU 24 0.243 -1.922 -4.574 204 HB2 LEU 24 2HB LEU 24 -2.750 -2.057 -4.020 205 HB3 LEU 24 1HB LEU 24 -1.835 -0.552 -4.026 206 HD11 LEU 24 1HD1 LEU 24 -0.069 -4.196 -5.429 207 HD12 LEU 24 2HD1 LEU 24 -1.778 -4.141 -5.005 208 HD13 LEU 24 3HD1 LEU 24 -0.548 -4.084 -3.738 209 HD21 LEU 24 3HD2 LEU 24 -2.019 -2.034 -6.588 210 HD22 LEU 24 1HD2 LEU 24 -0.299 -2.201 -6.952 211 HD23 LEU 24 2HD2 LEU 24 -0.922 -0.677 -6.324 212 H VAL 25 H VAL 25 0.924 -2.461 -1.472 213 HA VAL 25 HA VAL 25 1.696 0.233 -0.641 214 HB VAL 25 HB VAL 25 3.702 -0.821 0.309 215 HG11 VAL 25 1HG1 VAL 25 1.673 -0.827 1.690 216 HG12 VAL 25 2HG1 VAL 25 2.618 -2.282 2.007 217 HG13 VAL 25 3HG1 VAL 25 1.169 -2.374 1.001 218 HG21 VAL 25 3HG2 VAL 25 4.071 -3.277 0.197 219 HG22 VAL 25 1HG2 VAL 25 4.166 -2.518 -1.394 220 HG23 VAL 25 2HG2 VAL 25 2.722 -3.423 -0.935 221 H LYS 26 H LYS 26 3.405 1.410 -1.490 222 HA LYS 26 HA LYS 26 4.290 0.697 -4.217 223 HB2 LYS 26 2HB LYS 26 3.055 2.889 -3.778 224 HB3 LYS 26 1HB LYS 26 4.451 3.418 -2.854 225 HG2 LYS 26 2HG LYS 26 4.477 4.334 -5.132 226 HG3 LYS 26 1HG LYS 26 5.866 3.278 -4.852 227 HD2 LYS 26 2HD LYS 26 4.909 1.506 -6.172 228 HD3 LYS 26 1HD LYS 26 3.324 2.282 -6.204 229 HE2 LYS 26 2HE LYS 26 5.827 3.314 -7.588 230 HE3 LYS 26 1HE LYS 26 4.467 2.502 -8.371 231 HZ1 LYS 26 3HZ LYS 26 3.037 4.324 -7.574 232 HZ2 LYS 26 1HZ LYS 26 4.247 4.855 -8.625 233 HZ3 LYS 26 2HZ LYS 26 4.402 5.115 -6.962 234 H TRP 27 H TRP 27 6.164 -0.452 -4.039 235 HA TRP 27 HA TRP 27 8.093 0.026 -1.946 236 HD1 TRP 27 HD TRP 27 6.337 -3.745 -3.608 237 HE1 TRP 27 1HE TRP 27 5.671 -4.930 -1.427 238 HE3 TRP 27 3HE TRP 27 9.314 -1.170 -0.345 239 HZ2 TRP 27 2HZ TRP 27 6.302 -4.774 1.321 240 HZ3 TRP 27 3HZ TRP 27 9.216 -1.733 2.044 241 HH2 TRP 27 HH TRP 27 7.748 -3.496 2.859 242 HB2 TRP 27 2HB TRP 27 8.053 -1.920 -4.284 243 HB3 TRP 27 1HB TRP 27 9.409 -1.807 -3.167 244 H ARG 28 H ARG 28 9.072 1.990 -2.162 245 HA ARG 28 HA ARG 28 10.467 2.928 -4.458 246 HE ARG 28 HE ARG 28 8.635 7.173 -2.887 247 HB2 ARG 28 2HB ARG 28 10.876 3.466 -1.483 248 HB3 ARG 28 1HB ARG 28 11.822 4.265 -2.740 249 HG2 ARG 28 2HG ARG 28 9.747 5.241 -3.672 250 HG3 ARG 28 1HG ARG 28 8.807 4.456 -2.398 251 HD2 ARG 28 2HD ARG 28 9.889 5.792 -0.691 252 HD3 ARG 28 1HD ARG 28 11.039 6.459 -1.860 253 HH11 ARG 28 1HH1 ARG 28 9.959 7.633 0.351 254 HH12 ARG 28 2HH1 ARG 28 9.154 9.154 0.567 255 HH21 ARG 28 1HH2 ARG 28 7.586 9.106 -2.564 256 HH22 ARG 28 2HH2 ARG 28 7.822 9.983 -1.089 257 H GLY 29 H GLY 29 12.350 2.299 -5.295 258 HA2 GLY 29 2HA GLY 29 14.576 1.408 -5.242 259 HA3 GLY 29 1HA GLY 29 14.130 0.414 -3.859 260 H TRP 30 H TRP 30 11.490 -0.026 -5.424 261 HA TRP 30 HA TRP 30 12.414 -2.009 -7.420 262 HD1 TRP 30 HD TRP 30 11.576 -2.338 -3.261 263 HE1 TRP 30 1HE TRP 30 13.230 -4.080 -2.354 264 HE3 TRP 30 3HE TRP 30 12.202 -5.174 -7.488 265 HZ2 TRP 30 2HZ TRP 30 14.613 -6.354 -3.282 266 HZ3 TRP 30 3HZ TRP 30 13.711 -7.117 -7.390 267 HH2 TRP 30 HH TRP 30 14.895 -7.699 -5.326 268 HB2 TRP 30 2HB TRP 30 10.052 -2.260 -5.489 269 HB3 TRP 30 1HB TRP 30 10.438 -3.409 -6.772 270 H SER 31 H SER 31 10.805 -2.422 -9.114 271 HA SER 31 HA SER 31 9.494 0.006 -10.021 272 HG SER 31 HG SER 31 10.830 -3.291 -11.016 273 HB2 SER 31 2HB SER 31 9.032 -1.423 -12.082 274 HB3 SER 31 1HB SER 31 10.739 -1.238 -11.678 275 HA PRO 32 HA PRO 32 5.349 -0.552 -8.592 276 HB2 PRO 32 2HB PRO 32 4.355 -0.457 -11.444 277 HB3 PRO 32 1HB PRO 32 3.826 0.477 -10.035 278 HG2 PRO 32 2HG PRO 32 5.407 1.613 -11.837 279 HG3 PRO 32 1HG PRO 32 5.711 1.893 -10.109 280 HD2 PRO 32 2HD PRO 32 7.166 0.073 -12.024 281 HD3 PRO 32 1HD PRO 32 7.818 1.110 -10.734 282 H LYS 33 H LYS 33 6.294 -2.832 -11.102 283 HA LYS 33 HA LYS 33 4.049 -4.596 -10.890 284 HB2 LYS 33 2HB LYS 33 5.415 -6.222 -12.155 285 HB3 LYS 33 1HB LYS 33 5.408 -4.629 -12.902 286 HG2 LYS 33 2HG LYS 33 7.661 -4.176 -12.119 287 HG3 LYS 33 1HG LYS 33 7.684 -5.667 -11.169 288 HD2 LYS 33 2HD LYS 33 7.606 -7.019 -13.207 289 HD3 LYS 33 1HD LYS 33 7.421 -5.574 -14.207 290 HE2 LYS 33 2HE LYS 33 9.867 -6.173 -12.498 291 HE3 LYS 33 1HE LYS 33 9.737 -6.528 -14.223 292 HZ1 LYS 33 3HZ LYS 33 10.873 -4.444 -13.839 293 HZ2 LYS 33 1HZ LYS 33 9.539 -3.833 -12.999 294 HZ3 LYS 33 2HZ LYS 33 9.415 -4.174 -14.648 295 H TYR 34 H TYR 34 6.847 -4.158 -8.922 296 HA TYR 34 HA TYR 34 6.691 -6.738 -7.560 297 HD1 TYR 34 2HD TYR 34 9.251 -7.909 -7.112 298 HD2 TYR 34 1HD TYR 34 9.568 -4.209 -9.219 299 HE1 TYR 34 2HE TYR 34 10.865 -8.929 -8.657 300 HE2 TYR 34 1HE TYR 34 11.177 -5.232 -10.764 301 HH TYR 34 HH TYR 34 12.733 -7.080 -10.836 302 HB2 TYR 34 2HB TYR 34 8.429 -4.280 -7.088 303 HB3 TYR 34 1HB TYR 34 8.508 -5.723 -6.087 304 H ASN 35 H ASN 35 4.541 -4.494 -7.516 305 HA ASN 35 HA ASN 35 4.081 -3.591 -4.912 306 HB2 ASN 35 2HB ASN 35 1.698 -3.427 -5.636 307 HB3 ASN 35 1HB ASN 35 2.796 -2.814 -6.866 308 HD21 ASN 35 1HD2 ASN 35 0.647 -5.510 -6.029 309 HD22 ASN 35 2HD2 ASN 35 0.493 -6.115 -7.636 310 H THR 36 H THR 36 3.069 -4.503 -3.107 311 HA THR 36 HA THR 36 2.066 -7.284 -3.283 312 HB THR 36 HB THR 36 2.840 -7.599 -0.884 313 HG1 THR 36 1HG THR 36 3.281 -5.635 -0.070 314 HG21 THR 36 3HG2 THR 36 5.215 -8.022 -1.414 315 HG22 THR 36 1HG2 THR 36 5.064 -7.051 -2.882 316 HG23 THR 36 2HG2 THR 36 4.168 -8.564 -2.728 317 H TRP 37 H TRP 37 0.027 -7.558 -2.585 318 HA TRP 37 HA TRP 37 -1.509 -5.419 -1.391 319 HD1 TRP 37 HD TRP 37 -1.946 -8.106 -4.675 320 HE1 TRP 37 1HE TRP 37 -3.149 -6.689 -6.448 321 HE3 TRP 37 3HE TRP 37 -4.329 -4.785 -1.593 322 HZ2 TRP 37 2HZ TRP 37 -4.854 -4.455 -6.539 323 HZ3 TRP 37 3HZ TRP 37 -5.724 -3.027 -2.608 324 HH2 TRP 37 HH TRP 37 -5.981 -2.872 -5.031 325 HB2 TRP 37 2HB TRP 37 -2.187 -8.318 -2.051 326 HB3 TRP 37 1HB TRP 37 -3.327 -7.233 -1.263 327 H GLU 38 H GLU 38 -1.065 -4.928 0.634 328 HA GLU 38 HA GLU 38 -0.819 -7.039 2.684 329 HB2 GLU 38 2HB GLU 38 0.425 -4.258 2.638 330 HB3 GLU 38 1HB GLU 38 0.509 -5.382 3.998 331 HG2 GLU 38 2HG GLU 38 1.677 -7.021 2.487 332 HG3 GLU 38 1HG GLU 38 1.706 -5.779 1.232 333 HA PRO 39 HA PRO 39 -4.789 -5.400 4.126 334 HB2 PRO 39 2HB PRO 39 -4.737 -6.641 6.640 335 HB3 PRO 39 1HB PRO 39 -5.287 -7.402 5.143 336 HG2 PRO 39 2HG PRO 39 -2.581 -7.561 6.472 337 HG3 PRO 39 1HG PRO 39 -3.554 -8.867 5.760 338 HD2 PRO 39 2HD PRO 39 -1.496 -7.827 4.407 339 HD3 PRO 39 1HD PRO 39 -3.005 -8.236 3.555 340 H GLU 40 H GLU 40 -5.632 -4.191 6.073 341 HA GLU 40 HA GLU 40 -3.960 -1.946 6.585 342 HB2 GLU 40 2HB GLU 40 -6.432 -1.810 6.376 343 HB3 GLU 40 1HB GLU 40 -6.609 -2.691 7.889 344 HG2 GLU 40 2HG GLU 40 -5.587 -0.862 9.132 345 HG3 GLU 40 1HG GLU 40 -5.219 -0.003 7.634 346 H GLU 41 H GLU 41 -4.498 -4.924 8.312 347 HA GLU 41 HA GLU 41 -3.487 -4.172 10.872 348 HB2 GLU 41 2HB GLU 41 -3.232 -6.580 11.292 349 HB3 GLU 41 1HB GLU 41 -4.790 -6.249 10.538 350 HG2 GLU 41 2HG GLU 41 -4.003 -7.065 8.400 351 HG3 GLU 41 1HG GLU 41 -2.359 -7.233 9.011 352 H ASN 42 H ASN 42 -1.941 -4.714 7.819 353 HA ASN 42 HA ASN 42 0.772 -4.768 8.924 354 HB2 ASN 42 2HB ASN 42 -0.217 -4.590 6.039 355 HB3 ASN 42 1HB ASN 42 1.478 -4.681 6.505 356 HD21 ASN 42 1HD2 ASN 42 1.715 -6.562 5.285 357 HD22 ASN 42 2HD2 ASN 42 1.093 -8.088 5.801 358 H ILE 43 H ILE 43 -1.513 -2.557 7.396 359 HA ILE 43 HA ILE 43 0.379 -0.340 7.215 360 HB ILE 43 HB ILE 43 -2.601 -0.324 6.542 361 HG12 ILE 43 2HG1 ILE 43 -1.481 -2.047 5.169 362 HG13 ILE 43 1HG1 ILE 43 -1.949 -0.682 4.165 363 HG21 ILE 43 1HG2 ILE 43 -1.661 1.929 6.862 364 HG22 ILE 43 2HG2 ILE 43 -2.055 1.665 5.165 365 HG23 ILE 43 3HG2 ILE 43 -0.376 1.583 5.701 366 HD11 ILE 43 3HD1 ILE 43 0.216 -1.545 3.526 367 HD12 ILE 43 1HD1 ILE 43 0.838 -1.293 5.158 368 HD13 ILE 43 2HD1 ILE 43 0.384 0.091 4.160 369 H LEU 44 H LEU 44 0.782 -0.180 9.480 370 HA LEU 44 HA LEU 44 -1.289 1.054 11.178 371 HG LEU 44 HG LEU 44 0.446 -1.206 13.624 372 HB2 LEU 44 2HB LEU 44 1.523 0.046 11.730 373 HB3 LEU 44 1HB LEU 44 0.685 1.052 12.885 374 HD11 LEU 44 1HD1 LEU 44 -1.970 -1.553 13.661 375 HD12 LEU 44 2HD1 LEU 44 -2.175 -0.412 12.329 376 HD13 LEU 44 3HD1 LEU 44 -1.569 0.149 13.889 377 HD21 LEU 44 3HD2 LEU 44 1.012 -2.356 11.553 378 HD22 LEU 44 1HD2 LEU 44 -0.558 -1.941 10.861 379 HD23 LEU 44 2HD2 LEU 44 -0.459 -3.028 12.252 380 H ASP 45 H ASP 45 0.793 2.092 8.860 381 HA ASP 45 HA ASP 45 2.021 4.316 10.291 382 HB2 ASP 45 2HB ASP 45 3.392 2.893 8.844 383 HB3 ASP 45 1HB ASP 45 2.374 3.272 7.453 384 HA PRO 46 HA PRO 46 -1.281 7.066 9.008 385 HB2 PRO 46 2HB PRO 46 -0.179 9.483 9.710 386 HB3 PRO 46 1HB PRO 46 -0.770 8.313 10.899 387 HG2 PRO 46 2HG PRO 46 2.063 8.768 9.940 388 HG3 PRO 46 1HG PRO 46 1.469 8.592 11.606 389 HD2 PRO 46 2HD PRO 46 2.611 6.533 10.262 390 HD3 PRO 46 1HD PRO 46 1.288 6.267 11.425 391 H ARG 47 H ARG 47 2.019 7.706 7.794 392 HA ARG 47 HA ARG 47 1.496 9.614 5.791 393 HE ARG 47 HE ARG 47 4.562 11.995 8.148 394 HB2 ARG 47 2HB ARG 47 3.609 7.415 5.804 395 HB3 ARG 47 1HB ARG 47 3.614 8.801 4.716 396 HG2 ARG 47 2HG ARG 47 3.728 9.090 7.735 397 HG3 ARG 47 1HG ARG 47 5.172 8.890 6.736 398 HD2 ARG 47 2HD ARG 47 4.532 10.949 5.465 399 HD3 ARG 47 1HD ARG 47 3.157 11.154 6.554 400 HH11 ARG 47 1HH1 ARG 47 6.587 10.387 5.754 401 HH12 ARG 47 2HH1 ARG 47 8.061 10.978 6.443 402 HH21 ARG 47 1HH2 ARG 47 6.521 12.743 9.033 403 HH22 ARG 47 2HH2 ARG 47 8.024 12.312 8.280 404 H LEU 48 H LEU 48 1.389 6.082 5.711 405 HA LEU 48 HA LEU 48 0.799 5.775 2.930 406 HG LEU 48 HG LEU 48 2.456 4.179 5.482 407 HB2 LEU 48 2HB LEU 48 0.094 3.827 5.160 408 HB3 LEU 48 1HB LEU 48 0.310 3.457 3.452 409 HD11 LEU 48 1HD1 LEU 48 2.027 1.645 3.876 410 HD12 LEU 48 2HD1 LEU 48 1.716 1.869 5.600 411 HD13 LEU 48 3HD1 LEU 48 3.366 1.959 4.987 412 HD21 LEU 48 3HD2 LEU 48 3.045 5.332 3.440 413 HD22 LEU 48 1HD2 LEU 48 2.802 3.866 2.483 414 HD23 LEU 48 2HD2 LEU 48 4.116 3.953 3.660 415 H LEU 49 H LEU 49 -1.144 5.994 5.881 416 HA LEU 49 HA LEU 49 -3.689 5.560 4.665 417 HG LEU 49 HG LEU 49 -2.473 4.255 7.129 418 HB2 LEU 49 2HB LEU 49 -2.907 6.709 7.362 419 HB3 LEU 49 1HB LEU 49 -4.582 6.452 6.882 420 HD11 LEU 49 1HD1 LEU 49 -4.779 4.888 9.001 421 HD12 LEU 49 2HD1 LEU 49 -3.061 5.129 9.329 422 HD13 LEU 49 3HD1 LEU 49 -3.691 3.499 9.117 423 HD21 LEU 49 3HD2 LEU 49 -4.344 2.672 6.819 424 HD22 LEU 49 1HD2 LEU 49 -4.123 3.709 5.411 425 HD23 LEU 49 2HD2 LEU 49 -5.448 4.021 6.534 426 H ILE 50 H ILE 50 -1.695 8.438 4.996 427 HA ILE 50 HA ILE 50 -3.635 10.447 4.464 428 HB ILE 50 HB ILE 50 -0.708 10.389 3.555 429 HG12 ILE 50 2HG1 ILE 50 -0.815 10.246 5.989 430 HG13 ILE 50 1HG1 ILE 50 -0.243 11.844 5.544 431 HG21 ILE 50 1HG2 ILE 50 -0.867 12.859 3.347 432 HG22 ILE 50 2HG2 ILE 50 -2.593 12.776 3.705 433 HG23 ILE 50 3HG2 ILE 50 -1.961 12.030 2.237 434 HD11 ILE 50 3HD1 ILE 50 -1.762 11.955 7.398 435 HD12 ILE 50 1HD1 ILE 50 -3.016 11.122 6.483 436 HD13 ILE 50 2HD1 ILE 50 -2.489 12.737 5.995 437 H ALA 51 H ALA 51 -1.561 8.500 2.366 438 HA ALA 51 HA ALA 51 -2.489 9.381 -0.147 439 HB1 ALA 51 1HB ALA 51 -0.370 8.177 0.163 440 HB2 ALA 51 2HB ALA 51 -1.385 7.380 -1.041 441 HB3 ALA 51 3HB ALA 51 -1.252 6.710 0.589 442 H PHE 52 H PHE 52 -3.515 6.711 1.958 443 HA PHE 52 HA PHE 52 -5.385 5.370 0.403 444 HD1 PHE 52 1HD PHE 52 -6.956 3.234 1.410 445 HD2 PHE 52 2HD PHE 52 -7.178 6.131 4.548 446 HE1 PHE 52 1HE PHE 52 -9.207 2.451 1.993 447 HE2 PHE 52 2HE PHE 52 -9.433 5.332 5.122 448 HZ PHE 52 HZ PHE 52 -10.446 3.490 3.841 449 HB2 PHE 52 2HB PHE 52 -4.852 4.395 2.494 450 HB3 PHE 52 1HB PHE 52 -5.152 5.877 3.378 451 H GLN 53 H GLN 53 -5.940 8.162 2.556 452 HA GLN 53 HA GLN 53 -8.718 8.462 2.114 453 HB2 GLN 53 2HB GLN 53 -6.641 10.525 2.963 454 HB3 GLN 53 1HB GLN 53 -8.388 10.747 3.089 455 HG2 GLN 53 2HG GLN 53 -8.573 8.993 4.731 456 HG3 GLN 53 1HG GLN 53 -6.897 8.503 4.490 457 HE21 GLN 53 1HE2 GLN 53 -5.232 9.824 5.338 458 HE22 GLN 53 2HE2 GLN 53 -5.539 10.988 6.574 459 H ASN 54 H ASN 54 -5.908 9.852 0.483 460 HA ASN 54 HA ASN 54 -7.363 11.525 -1.349 461 HB2 ASN 54 2HB ASN 54 -4.483 10.517 -1.468 462 HB3 ASN 54 1HB ASN 54 -5.150 11.813 -2.463 463 HD21 ASN 54 1HD2 ASN 54 -2.920 11.887 -0.585 464 HD22 ASN 54 2HD2 ASN 54 -3.308 13.096 0.585 465 H ARG 55 H ARG 55 -6.510 8.170 -1.268 466 HA ARG 55 HA ARG 55 -6.650 7.734 -4.141 467 HE ARG 55 HE ARG 55 -5.067 4.873 -6.584 468 HB2 ARG 55 2HB ARG 55 -5.154 6.467 -2.306 469 HB3 ARG 55 1HB ARG 55 -6.564 5.430 -2.172 470 HG2 ARG 55 2HG ARG 55 -4.987 4.454 -3.730 471 HG3 ARG 55 1HG ARG 55 -6.420 4.980 -4.622 472 HD2 ARG 55 2HD ARG 55 -5.172 7.118 -5.182 473 HD3 ARG 55 1HD ARG 55 -3.727 6.380 -4.472 474 HH11 ARG 55 1HH1 ARG 55 -2.387 6.979 -5.751 475 HH12 ARG 55 2HH1 ARG 55 -1.544 6.687 -7.235 476 HH21 ARG 55 1HH2 ARG 55 -3.949 4.490 -8.502 477 HH22 ARG 55 2HH2 ARG 55 -2.430 5.271 -8.804 478 H GLU 56 H GLU 56 -8.743 7.489 -1.363 479 HA GLU 56 HA GLU 56 -10.899 6.038 -2.533 480 HB2 GLU 56 2HB GLU 56 -10.982 8.198 -0.379 481 HB3 GLU 56 1HB GLU 56 -12.296 7.084 -0.764 482 HG2 GLU 56 2HG GLU 56 -9.591 6.379 0.413 483 HG3 GLU 56 1HG GLU 56 -11.140 6.363 1.252 484 H ARG 57 H ARG 57 -9.785 9.325 -2.740 485 HA ARG 57 HA ARG 57 -12.156 10.496 -3.839 486 HE ARG 57 HE ARG 57 -10.983 14.188 -3.605 487 HB2 ARG 57 2HB ARG 57 -9.297 11.522 -3.728 488 HB3 ARG 57 1HB ARG 57 -10.690 12.482 -4.240 489 HG2 ARG 57 2HG ARG 57 -11.689 12.029 -1.932 490 HG3 ARG 57 1HG ARG 57 -10.116 11.361 -1.474 491 HD2 ARG 57 2HD ARG 57 -10.351 13.721 -0.776 492 HD3 ARG 57 1HD ARG 57 -9.050 13.530 -1.957 493 HH11 ARG 57 1HH1 ARG 57 -10.314 15.671 -0.497 494 HH12 ARG 57 2HH1 ARG 57 -11.022 17.189 -0.943 495 HH21 ARG 57 1HH2 ARG 57 -11.906 16.159 -4.172 496 HH22 ARG 57 2HH2 ARG 57 -11.886 17.478 -3.046 497 H GLN 58 H GLN 58 -9.844 8.458 -5.224 498 HA GLN 58 HA GLN 58 -9.817 9.526 -7.903 499 HB2 GLN 58 2HB GLN 58 -9.214 6.659 -7.044 500 HB3 GLN 58 1HB GLN 58 -8.733 7.432 -8.556 501 HG2 GLN 58 2HG GLN 58 -7.729 8.098 -5.770 502 HG3 GLN 58 1HG GLN 58 -6.832 7.273 -7.040 503 HE21 GLN 58 1HE2 GLN 58 -6.300 9.792 -5.529 504 HE22 GLN 58 2HE2 GLN 58 -6.033 10.992 -6.742 505 H GLU 59 H GLU 59 -11.980 7.508 -6.069 506 HA GLU 59 HA GLU 59 -13.639 6.781 -8.376 507 HB2 GLU 59 2HB GLU 59 -13.981 6.279 -5.386 508 HB3 GLU 59 1HB GLU 59 -15.070 5.671 -6.633 509 HG2 GLU 59 2HG GLU 59 -12.130 4.945 -6.325 510 HG3 GLU 59 1HG GLU 59 -13.498 3.942 -5.840 511 H GLN 60 H GLN 60 -13.376 9.299 -6.024 512 HA GLN 60 HA GLN 60 -16.139 10.199 -6.198 513 HB2 GLN 60 2HB GLN 60 -13.729 11.533 -4.867 514 HB3 GLN 60 1HB GLN 60 -15.414 12.010 -4.669 515 HG2 GLN 60 2HG GLN 60 -14.199 9.371 -3.783 516 HG3 GLN 60 1HG GLN 60 -14.579 10.734 -2.732 517 HE21 GLN 60 1HE2 GLN 60 -15.579 7.932 -2.712 518 HE22 GLN 60 2HE2 GLN 60 -17.300 8.066 -2.773 Start of MODEL 6 1 H1 GLY 1 1HT GLY 1 27.361 -2.350 5.625 2 H2 GLY 1 2HT GLY 1 27.046 -3.691 4.643 3 H3 GLY 1 3HT GLY 1 26.308 -3.561 6.158 4 HA2 GLY 1 1HA GLY 1 25.073 -1.624 5.434 5 HA3 GLY 1 2HA GLY 1 25.846 -1.752 3.858 6 H SER 2 H SER 2 23.417 -1.771 3.318 7 HA SER 2 HA SER 2 22.622 -4.552 2.816 8 HG SER 2 HG SER 2 19.165 -3.898 3.740 9 HB2 SER 2 2HB SER 2 21.413 -3.984 4.907 10 HB3 SER 2 1HB SER 2 20.746 -2.535 4.154 11 H GLU 3 H GLU 3 22.437 -4.611 0.717 12 HA GLU 3 HA GLU 3 21.554 -2.385 -0.928 13 HB2 GLU 3 2HB GLU 3 21.662 -4.388 -2.742 14 HB3 GLU 3 1HB GLU 3 23.093 -3.536 -2.196 15 HG2 GLU 3 2HG GLU 3 23.474 -5.950 -2.328 16 HG3 GLU 3 1HG GLU 3 23.672 -5.352 -0.686 17 H HIS 4 H HIS 4 20.052 -4.985 0.730 18 HA HIS 4 HA HIS 4 17.573 -5.034 -0.743 19 HD1 HIS 4 1HD HIS 4 19.943 -7.813 0.727 20 HD2 HIS 4 2HD HIS 4 15.951 -7.909 -0.435 21 HE1 HIS 4 1HE HIS 4 19.681 -9.924 -0.617 22 HE2 HIS 4 2HE HIS 4 17.308 -9.863 -1.446 23 HB2 HIS 4 2HB HIS 4 18.448 -6.114 1.954 24 HB3 HIS 4 1HB HIS 4 16.740 -6.080 1.533 25 H VAL 5 H VAL 5 17.003 -2.861 -0.993 26 HA VAL 5 HA VAL 5 16.557 -1.120 1.304 27 HB VAL 5 HB VAL 5 16.018 -0.631 -1.661 28 HG11 VAL 5 1HG1 VAL 5 14.597 0.820 -0.266 29 HG12 VAL 5 2HG1 VAL 5 15.850 1.778 -1.060 30 HG13 VAL 5 3HG1 VAL 5 16.011 1.353 0.644 31 HG21 VAL 5 3HG2 VAL 5 18.418 -0.974 -1.218 32 HG22 VAL 5 1HG2 VAL 5 18.371 0.246 0.058 33 HG23 VAL 5 2HG2 VAL 5 18.111 0.718 -1.622 34 H PHE 6 H PHE 6 14.714 -1.303 2.458 35 HA PHE 6 HA PHE 6 12.158 -1.890 1.067 36 HD1 PHE 6 2HD PHE 6 11.035 -4.262 1.067 37 HD2 PHE 6 1HD PHE 6 14.562 -4.554 3.467 38 HE1 PHE 6 2HE PHE 6 11.574 -6.418 0.018 39 HE2 PHE 6 1HE PHE 6 15.093 -6.713 2.415 40 HZ PHE 6 HZ PHE 6 13.602 -7.642 0.689 41 HB2 PHE 6 2HB PHE 6 13.033 -2.776 3.851 42 HB3 PHE 6 1HB PHE 6 11.386 -2.922 3.250 43 H ALA 7 H ALA 7 11.398 0.106 0.820 44 HA ALA 7 HA ALA 7 10.370 1.488 3.168 45 HB1 ALA 7 1HB ALA 7 11.152 3.712 2.384 46 HB2 ALA 7 2HB ALA 7 12.054 2.947 1.070 47 HB3 ALA 7 3HB ALA 7 12.519 2.661 2.749 48 H VAL 8 H VAL 8 8.306 1.987 2.757 49 HA VAL 8 HA VAL 8 7.157 1.504 0.138 50 HB VAL 8 HB VAL 8 5.778 2.410 2.701 51 HG11 VAL 8 1HG1 VAL 8 3.702 1.531 1.649 52 HG12 VAL 8 2HG1 VAL 8 4.605 1.164 0.176 53 HG13 VAL 8 3HG1 VAL 8 4.400 2.841 0.690 54 HG21 VAL 8 3HG2 VAL 8 5.151 0.058 3.044 55 HG22 VAL 8 1HG2 VAL 8 6.906 0.260 3.056 56 HG23 VAL 8 2HG2 VAL 8 6.105 -0.409 1.631 57 H GLU 9 H GLU 9 6.035 2.996 -1.073 58 HA GLU 9 HA GLU 9 6.676 5.812 -0.929 59 HB2 GLU 9 2HB GLU 9 6.636 4.645 -3.139 60 HB3 GLU 9 1HB GLU 9 4.950 4.214 -2.893 61 HG2 GLU 9 2HG GLU 9 4.980 6.023 -4.437 62 HG3 GLU 9 1HG GLU 9 4.396 6.678 -2.912 63 H SER 10 H SER 10 3.596 4.051 -1.493 64 HA SER 10 HA SER 10 2.288 4.645 0.892 65 HG SER 10 HG SER 10 0.787 7.568 0.947 66 HB2 SER 10 2HB SER 10 2.478 7.026 -0.230 67 HB3 SER 10 1HB SER 10 1.182 6.454 -1.283 68 H ILE 11 H ILE 11 -0.300 4.606 0.378 69 HA ILE 11 HA ILE 11 -0.821 2.091 -0.982 70 HB ILE 11 HB ILE 11 -2.671 4.010 0.507 71 HG12 ILE 11 2HG1 ILE 11 -1.584 1.288 1.377 72 HG13 ILE 11 1HG1 ILE 11 -0.927 2.836 1.900 73 HG21 ILE 11 1HG2 ILE 11 -4.388 2.213 0.469 74 HG22 ILE 11 2HG2 ILE 11 -3.342 1.244 -0.572 75 HG23 ILE 11 3HG2 ILE 11 -3.991 2.776 -1.160 76 HD11 ILE 11 3HD1 ILE 11 -2.353 1.847 3.598 77 HD12 ILE 11 1HD1 ILE 11 -3.713 1.822 2.475 78 HD13 ILE 11 2HD1 ILE 11 -3.036 3.363 3.012 79 H GLU 12 H GLU 12 -1.313 1.944 -3.050 80 HA GLU 12 HA GLU 12 -1.954 4.288 -4.684 81 HB2 GLU 12 2HB GLU 12 -1.507 1.398 -5.552 82 HB3 GLU 12 1HB GLU 12 -1.540 2.823 -6.592 83 HG2 GLU 12 2HG GLU 12 0.532 3.639 -5.515 84 HG3 GLU 12 1HG GLU 12 0.561 2.202 -4.490 85 H LYS 13 H LYS 13 -3.272 1.118 -3.888 86 HA LYS 13 HA LYS 13 -5.988 1.858 -4.701 87 HB2 LYS 13 2HB LYS 13 -4.278 -0.325 -5.916 88 HB3 LYS 13 1HB LYS 13 -6.002 -0.608 -5.767 89 HG2 LYS 13 2HG LYS 13 -6.550 0.830 -7.461 90 HG3 LYS 13 1HG LYS 13 -5.278 1.980 -7.056 91 HD2 LYS 13 2HD LYS 13 -4.655 -0.700 -8.353 92 HD3 LYS 13 1HD LYS 13 -5.078 0.725 -9.312 93 HE2 LYS 13 2HE LYS 13 -3.175 1.946 -8.367 94 HE3 LYS 13 1HE LYS 13 -2.780 0.569 -7.334 95 HZ1 LYS 13 3HZ LYS 13 -1.417 0.729 -9.337 96 HZ2 LYS 13 1HZ LYS 13 -2.791 0.501 -10.293 97 HZ3 LYS 13 2HZ LYS 13 -2.273 -0.722 -9.246 98 H LYS 14 H LYS 14 -7.524 0.094 -4.063 99 HA LYS 14 HA LYS 14 -6.836 -1.341 -1.621 100 HB2 LYS 14 2HB LYS 14 -8.316 -0.100 -0.184 101 HB3 LYS 14 1HB LYS 14 -7.296 1.073 -0.977 102 HG2 LYS 14 2HG LYS 14 -9.315 2.173 -1.124 103 HG3 LYS 14 1HG LYS 14 -9.360 1.281 -2.642 104 HD2 LYS 14 2HD LYS 14 -11.521 1.029 -1.620 105 HD3 LYS 14 1HD LYS 14 -10.694 -0.513 -1.458 106 HE2 LYS 14 2HE LYS 14 -11.776 -0.127 0.614 107 HE3 LYS 14 1HE LYS 14 -10.064 0.202 0.899 108 HZ1 LYS 14 3HZ LYS 14 -12.188 2.214 0.408 109 HZ2 LYS 14 1HZ LYS 14 -10.546 2.571 0.593 110 HZ3 LYS 14 2HZ LYS 14 -11.422 1.908 1.879 111 H ARG 15 H ARG 15 -8.632 -2.682 -0.845 112 HA ARG 15 HA ARG 15 -11.197 -2.600 -2.087 113 HE ARG 15 HE ARG 15 -7.625 -5.138 -4.745 114 HB2 ARG 15 2HB ARG 15 -11.349 -4.784 -3.094 115 HB3 ARG 15 1HB ARG 15 -9.948 -3.999 -3.812 116 HG2 ARG 15 2HG ARG 15 -9.658 -5.878 -1.465 117 HG3 ARG 15 1HG ARG 15 -9.778 -6.506 -3.106 118 HD2 ARG 15 2HD ARG 15 -7.730 -4.385 -2.508 119 HD3 ARG 15 1HD ARG 15 -7.439 -6.029 -1.944 120 HH11 ARG 15 1HH1 ARG 15 -6.962 -7.722 -2.449 121 HH12 ARG 15 2HH1 ARG 15 -6.231 -8.755 -3.631 122 HH21 ARG 15 1HH2 ARG 15 -6.670 -6.511 -6.293 123 HH22 ARG 15 2HH2 ARG 15 -6.051 -8.056 -5.811 124 H ILE 16 H ILE 16 -12.740 -3.728 -0.919 125 HA ILE 16 HA ILE 16 -11.892 -5.220 1.493 126 HB ILE 16 HB ILE 16 -14.337 -3.447 1.053 127 HG12 ILE 16 2HG1 ILE 16 -12.207 -3.480 3.213 128 HG13 ILE 16 1HG1 ILE 16 -12.216 -2.377 1.843 129 HG21 ILE 16 1HG2 ILE 16 -13.955 -5.393 3.373 130 HG22 ILE 16 2HG2 ILE 16 -15.188 -5.507 2.114 131 HG23 ILE 16 3HG2 ILE 16 -15.223 -4.169 3.260 132 HD11 ILE 16 3HD1 ILE 16 -14.222 -2.475 4.107 133 HD12 ILE 16 1HD1 ILE 16 -14.317 -1.394 2.712 134 HD13 ILE 16 2HD1 ILE 16 -12.972 -1.261 3.839 135 H ARG 17 H ARG 17 -12.699 -7.218 1.756 136 HA ARG 17 HA ARG 17 -14.937 -8.232 0.282 137 HE ARG 17 HE ARG 17 -16.093 -12.002 -1.915 138 HB2 ARG 17 2HB ARG 17 -12.686 -8.388 -1.165 139 HB3 ARG 17 1HB ARG 17 -12.335 -9.762 -0.134 140 HG2 ARG 17 2HG ARG 17 -14.896 -9.553 -1.753 141 HG3 ARG 17 1HG ARG 17 -13.405 -10.207 -2.428 142 HD2 ARG 17 2HD ARG 17 -13.391 -11.973 -0.718 143 HD3 ARG 17 1HD ARG 17 -14.866 -11.308 -0.009 144 HH11 ARG 17 1HH1 ARG 17 -12.746 -13.114 -2.075 145 HH12 ARG 17 2HH1 ARG 17 -13.107 -14.389 -3.190 146 HH21 ARG 17 1HH2 ARG 17 -16.539 -13.702 -3.348 147 HH22 ARG 17 2HH2 ARG 17 -15.258 -14.741 -3.887 148 H LYS 18 H LYS 18 -15.986 -9.623 1.624 149 HA LYS 18 HA LYS 18 -16.584 -10.826 3.447 150 HB2 LYS 18 2HB LYS 18 -13.662 -11.696 3.435 151 HB3 LYS 18 1HB LYS 18 -14.883 -12.380 4.510 152 HG2 LYS 18 2HG LYS 18 -14.939 -12.495 1.477 153 HG3 LYS 18 1HG LYS 18 -14.464 -13.813 2.553 154 HD2 LYS 18 2HD LYS 18 -16.756 -13.821 3.521 155 HD3 LYS 18 1HD LYS 18 -17.220 -12.520 2.417 156 HE2 LYS 18 2HE LYS 18 -16.773 -14.016 0.494 157 HE3 LYS 18 1HE LYS 18 -16.329 -15.310 1.613 158 HZ1 LYS 18 3HZ LYS 18 -18.574 -15.204 2.535 159 HZ2 LYS 18 1HZ LYS 18 -18.590 -15.563 0.882 160 HZ3 LYS 18 2HZ LYS 18 -18.989 -14.010 1.412 161 H GLY 19 H GLY 19 -15.725 -8.042 3.745 162 HA2 GLY 19 2HA GLY 19 -15.574 -6.497 5.451 163 HA3 GLY 19 1HA GLY 19 -15.752 -7.812 6.596 164 H ARG 20 H ARG 20 -13.216 -8.252 4.388 165 HA ARG 20 HA ARG 20 -11.143 -7.313 6.286 166 HE ARG 20 HE ARG 20 -11.221 -11.699 8.410 167 HB2 ARG 20 2HB ARG 20 -11.092 -9.678 4.349 168 HB3 ARG 20 1HB ARG 20 -9.697 -9.115 5.273 169 HG2 ARG 20 2HG ARG 20 -10.943 -9.594 7.378 170 HG3 ARG 20 1HG ARG 20 -12.276 -10.238 6.416 171 HD2 ARG 20 2HD ARG 20 -10.876 -12.039 5.590 172 HD3 ARG 20 1HD ARG 20 -9.443 -11.329 6.352 173 HH11 ARG 20 1HH1 ARG 20 -9.812 -13.867 6.038 174 HH12 ARG 20 2HH1 ARG 20 -9.742 -15.206 7.133 175 HH21 ARG 20 1HH2 ARG 20 -11.151 -13.444 9.829 176 HH22 ARG 20 2HH2 ARG 20 -10.525 -14.969 9.289 177 H VAL 21 H VAL 21 -9.401 -6.187 5.418 178 HA VAL 21 HA VAL 21 -9.723 -5.253 2.623 179 HB VAL 21 HB VAL 21 -10.648 -3.605 4.226 180 HG11 VAL 21 1HG1 VAL 21 -7.857 -3.376 5.390 181 HG12 VAL 21 2HG1 VAL 21 -9.276 -4.040 6.199 182 HG13 VAL 21 3HG1 VAL 21 -9.227 -2.328 5.776 183 HG21 VAL 21 3HG2 VAL 21 -8.152 -2.641 2.793 184 HG22 VAL 21 1HG2 VAL 21 -9.468 -1.609 3.361 185 HG23 VAL 21 2HG2 VAL 21 -9.767 -2.806 2.101 186 H GLU 22 H GLU 22 -7.910 -5.129 1.406 187 HA GLU 22 HA GLU 22 -5.300 -4.895 2.754 188 HB2 GLU 22 2HB GLU 22 -4.194 -6.304 1.013 189 HB3 GLU 22 1HB GLU 22 -5.264 -7.201 2.076 190 HG2 GLU 22 2HG GLU 22 -6.181 -6.270 -0.647 191 HG3 GLU 22 1HG GLU 22 -5.250 -7.750 -0.450 192 H TYR 23 H TYR 23 -3.636 -3.987 1.464 193 HA TYR 23 HA TYR 23 -4.635 -1.902 -0.373 194 HD1 TYR 23 1HD TYR 23 -6.022 -0.538 0.378 195 HD2 TYR 23 2HD TYR 23 -3.905 -0.821 4.080 196 HE1 TYR 23 1HE TYR 23 -8.036 0.198 1.567 197 HE2 TYR 23 2HE TYR 23 -5.926 -0.085 5.284 198 HH TYR 23 HH TYR 23 -8.016 1.222 4.763 199 HB2 TYR 23 2HB TYR 23 -2.838 -1.542 2.069 200 HB3 TYR 23 1HB TYR 23 -3.163 -0.287 0.877 201 H LEU 24 H LEU 24 -3.271 -1.310 -1.962 202 HA LEU 24 HA LEU 24 -0.965 -3.003 -2.507 203 HG LEU 24 HG LEU 24 0.021 -1.402 -5.066 204 HB2 LEU 24 2HB LEU 24 -2.716 -2.431 -4.234 205 HB3 LEU 24 1HB LEU 24 -2.187 -0.759 -4.173 206 HD11 LEU 24 1HD1 LEU 24 0.243 -3.636 -4.111 207 HD12 LEU 24 2HD1 LEU 24 0.453 -3.694 -5.859 208 HD13 LEU 24 3HD1 LEU 24 -1.066 -4.231 -5.137 209 HD21 LEU 24 3HD2 LEU 24 -0.682 -2.034 -7.337 210 HD22 LEU 24 1HD2 LEU 24 -1.756 -0.813 -6.654 211 HD23 LEU 24 2HD2 LEU 24 -2.271 -2.501 -6.726 212 H VAL 25 H VAL 25 0.796 -2.388 -1.355 213 HA VAL 25 HA VAL 25 1.559 0.435 -1.088 214 HB VAL 25 HB VAL 25 3.512 -0.458 0.248 215 HG11 VAL 25 1HG1 VAL 25 0.748 -1.230 1.252 216 HG12 VAL 25 2HG1 VAL 25 1.501 0.363 1.363 217 HG13 VAL 25 3HG1 VAL 25 2.182 -0.993 2.261 218 HG21 VAL 25 3HG2 VAL 25 2.104 -3.152 0.020 219 HG22 VAL 25 1HG2 VAL 25 3.470 -2.793 1.083 220 HG23 VAL 25 2HG2 VAL 25 3.677 -2.741 -0.667 221 H LYS 26 H LYS 26 2.585 1.350 -2.676 222 HA LYS 26 HA LYS 26 4.209 -0.028 -4.623 223 HB2 LYS 26 2HB LYS 26 3.043 2.058 -5.227 224 HB3 LYS 26 1HB LYS 26 3.889 2.935 -3.964 225 HG2 LYS 26 2HG LYS 26 4.814 3.423 -6.185 226 HG3 LYS 26 1HG LYS 26 6.005 2.661 -5.128 227 HD2 LYS 26 2HD LYS 26 5.536 0.465 -6.265 228 HD3 LYS 26 1HD LYS 26 4.446 1.308 -7.377 229 HE2 LYS 26 2HE LYS 26 6.652 0.966 -8.401 230 HE3 LYS 26 1HE LYS 26 6.345 2.686 -8.173 231 HZ1 LYS 26 3HZ LYS 26 8.609 1.964 -7.559 232 HZ2 LYS 26 1HZ LYS 26 7.959 1.023 -6.316 233 HZ3 LYS 26 2HZ LYS 26 7.784 2.704 -6.284 234 H TRP 27 H TRP 27 6.161 -0.877 -3.949 235 HA TRP 27 HA TRP 27 7.612 0.199 -1.712 236 HD1 TRP 27 HD TRP 27 6.258 -3.626 -2.840 237 HE1 TRP 27 1HE TRP 27 5.631 -4.609 -0.548 238 HE3 TRP 27 3HE TRP 27 9.438 -0.926 0.114 239 HZ2 TRP 27 2HZ TRP 27 6.369 -4.292 2.150 240 HZ3 TRP 27 3HZ TRP 27 9.397 -1.297 2.543 241 HH2 TRP 27 HH TRP 27 7.906 -2.952 3.538 242 HB2 TRP 27 2HB TRP 27 8.206 -2.024 -3.699 243 HB3 TRP 27 1HB TRP 27 9.386 -1.520 -2.489 244 H ARG 28 H ARG 28 8.581 2.044 -1.829 245 HA ARG 28 HA ARG 28 9.416 3.358 -4.231 246 HE ARG 28 HE ARG 28 8.945 8.203 -3.300 247 HB2 ARG 28 2HB ARG 28 8.564 4.393 -1.981 248 HB3 ARG 28 1HB ARG 28 10.207 4.161 -1.400 249 HG2 ARG 28 2HG ARG 28 11.046 5.626 -3.222 250 HG3 ARG 28 1HG ARG 28 9.388 5.862 -3.781 251 HD2 ARG 28 2HD ARG 28 8.982 6.727 -1.307 252 HD3 ARG 28 1HD ARG 28 10.740 6.935 -1.297 253 HH11 ARG 28 1HH1 ARG 28 11.720 8.500 -1.133 254 HH12 ARG 28 2HH1 ARG 28 12.018 10.145 -1.584 255 HH21 ARG 28 1HH2 ARG 28 9.367 10.352 -3.848 256 HH22 ARG 28 2HH2 ARG 28 10.689 11.188 -3.103 257 H GLY 29 H GLY 29 11.266 3.004 -5.280 258 HA2 GLY 29 2HA GLY 29 13.703 2.775 -5.317 259 HA3 GLY 29 1HA GLY 29 13.579 1.705 -3.924 260 H TRP 30 H TRP 30 11.209 0.364 -4.896 261 HA TRP 30 HA TRP 30 12.377 -1.469 -6.870 262 HD1 TRP 30 HD TRP 30 11.377 -1.441 -2.893 263 HE1 TRP 30 1HE TRP 30 12.863 -3.167 -1.714 264 HE3 TRP 30 3HE TRP 30 11.974 -4.792 -6.724 265 HZ2 TRP 30 2HZ TRP 30 14.132 -5.602 -2.296 266 HZ3 TRP 30 3HZ TRP 30 13.347 -6.795 -6.324 267 HH2 TRP 30 HH TRP 30 14.408 -7.193 -4.154 268 HB2 TRP 30 2HB TRP 30 9.854 -1.658 -5.159 269 HB3 TRP 30 1HB TRP 30 10.348 -2.881 -6.323 270 H SER 31 H SER 31 10.830 -2.359 -8.534 271 HA SER 31 HA SER 31 9.720 -0.244 -10.154 272 HG SER 31 HG SER 31 11.712 -1.366 -10.727 273 HB2 SER 31 2HB SER 31 9.795 -3.266 -10.575 274 HB3 SER 31 1HB SER 31 9.381 -2.071 -11.810 275 HA PRO 32 HA PRO 32 5.340 -0.590 -9.094 276 HB2 PRO 32 2HB PRO 32 4.655 -0.538 -12.011 277 HB3 PRO 32 1HB PRO 32 4.182 0.580 -10.723 278 HG2 PRO 32 2HG PRO 32 5.999 1.303 -12.540 279 HG3 PRO 32 1HG PRO 32 6.199 1.765 -10.834 280 HD2 PRO 32 2HD PRO 32 7.530 -0.488 -12.352 281 HD3 PRO 32 1HD PRO 32 8.252 0.705 -11.244 282 H LYS 33 H LYS 33 6.870 -3.127 -10.683 283 HA LYS 33 HA LYS 33 4.485 -4.856 -10.647 284 HB2 LYS 33 2HB LYS 33 6.006 -6.584 -11.672 285 HB3 LYS 33 1HB LYS 33 5.798 -5.129 -12.644 286 HG2 LYS 33 2HG LYS 33 7.997 -4.301 -11.813 287 HG3 LYS 33 1HG LYS 33 8.207 -5.820 -10.929 288 HD2 LYS 33 2HD LYS 33 8.181 -7.075 -13.042 289 HD3 LYS 33 1HD LYS 33 7.869 -5.593 -13.950 290 HE2 LYS 33 2HE LYS 33 10.069 -4.706 -13.223 291 HE3 LYS 33 1HE LYS 33 10.382 -6.212 -12.355 292 HZ1 LYS 33 3HZ LYS 33 11.441 -6.203 -14.517 293 HZ2 LYS 33 1HZ LYS 33 9.952 -5.955 -15.285 294 HZ3 LYS 33 2HZ LYS 33 10.249 -7.399 -14.457 295 H TYR 34 H TYR 34 7.171 -4.024 -8.674 296 HA TYR 34 HA TYR 34 7.048 -6.486 -7.042 297 HD1 TYR 34 2HD TYR 34 9.437 -7.768 -6.517 298 HD2 TYR 34 1HD TYR 34 10.047 -4.464 -9.160 299 HE1 TYR 34 2HE TYR 34 10.883 -9.164 -7.920 300 HE2 TYR 34 1HE TYR 34 11.496 -5.866 -10.571 301 HH TYR 34 HH TYR 34 11.637 -9.233 -10.286 302 HB2 TYR 34 2HB TYR 34 8.954 -4.105 -7.035 303 HB3 TYR 34 1HB TYR 34 8.997 -5.369 -5.810 304 H ASN 35 H ASN 35 5.173 -3.919 -7.201 305 HA ASN 35 HA ASN 35 4.918 -3.075 -4.464 306 HB2 ASN 35 2HB ASN 35 2.810 -2.013 -5.268 307 HB3 ASN 35 1HB ASN 35 4.177 -1.620 -6.301 308 HD21 ASN 35 1HD2 ASN 35 1.401 -1.451 -6.966 309 HD22 ASN 35 2HD2 ASN 35 1.125 -2.502 -8.307 310 H THR 36 H THR 36 3.608 -3.997 -2.849 311 HA THR 36 HA THR 36 2.511 -6.686 -3.485 312 HB THR 36 HB THR 36 3.065 -7.290 -1.128 313 HG1 THR 36 1HG THR 36 3.220 -5.525 0.087 314 HG21 THR 36 3HG2 THR 36 5.456 -6.170 -2.648 315 HG22 THR 36 1HG2 THR 36 4.758 -7.778 -2.872 316 HG23 THR 36 2HG2 THR 36 5.529 -7.356 -1.342 317 H TRP 37 H TRP 37 0.434 -7.203 -2.905 318 HA TRP 37 HA TRP 37 -1.306 -5.287 -1.583 319 HD1 TRP 37 HD TRP 37 -1.462 -7.605 -5.195 320 HE1 TRP 37 1HE TRP 37 -2.697 -6.077 -6.849 321 HE3 TRP 37 3HE TRP 37 -4.158 -4.790 -1.858 322 HZ2 TRP 37 2HZ TRP 37 -4.548 -3.952 -6.765 323 HZ3 TRP 37 3HZ TRP 37 -5.624 -3.012 -2.733 324 HH2 TRP 37 HH TRP 37 -5.813 -2.601 -5.140 325 HB2 TRP 37 2HB TRP 37 -1.767 -8.126 -2.604 326 HB3 TRP 37 1HB TRP 37 -3.007 -7.212 -1.753 327 H GLU 38 H GLU 38 -0.993 -5.031 0.550 328 HA GLU 38 HA GLU 38 -0.799 -7.418 2.289 329 HB2 GLU 38 2HB GLU 38 0.666 -4.765 2.607 330 HB3 GLU 38 1HB GLU 38 0.613 -6.028 3.836 331 HG2 GLU 38 2HG GLU 38 1.709 -7.582 2.178 332 HG3 GLU 38 1HG GLU 38 1.895 -6.201 1.094 333 HA PRO 39 HA PRO 39 -4.597 -5.846 4.070 334 HB2 PRO 39 2HB PRO 39 -4.396 -7.066 6.587 335 HB3 PRO 39 1HB PRO 39 -5.016 -7.838 5.123 336 HG2 PRO 39 2HG PRO 39 -2.260 -7.971 6.324 337 HG3 PRO 39 1HG PRO 39 -3.241 -9.275 5.622 338 HD2 PRO 39 2HD PRO 39 -1.243 -8.172 4.221 339 HD3 PRO 39 1HD PRO 39 -2.764 -8.622 3.416 340 H GLU 40 H GLU 40 -5.425 -4.639 5.971 341 HA GLU 40 HA GLU 40 -3.935 -2.273 6.344 342 HB2 GLU 40 2HB GLU 40 -6.409 -2.367 6.355 343 HB3 GLU 40 1HB GLU 40 -6.379 -3.246 7.881 344 HG2 GLU 40 2HG GLU 40 -5.347 -1.269 8.977 345 HG3 GLU 40 1HG GLU 40 -5.405 -0.403 7.441 346 H GLU 41 H GLU 41 -4.227 -5.141 8.307 347 HA GLU 41 HA GLU 41 -3.103 -4.247 10.740 348 HB2 GLU 41 2HB GLU 41 -2.752 -6.669 11.195 349 HB3 GLU 41 1HB GLU 41 -4.364 -6.321 10.574 350 HG2 GLU 41 2HG GLU 41 -3.540 -7.036 8.289 351 HG3 GLU 41 1HG GLU 41 -2.049 -7.568 9.065 352 H ASN 42 H ASN 42 -1.655 -5.242 7.693 353 HA ASN 42 HA ASN 42 1.079 -5.326 8.647 354 HB2 ASN 42 2HB ASN 42 -0.095 -5.286 5.830 355 HB3 ASN 42 1HB ASN 42 1.634 -5.369 6.150 356 HD21 ASN 42 1HD2 ASN 42 1.747 -7.356 5.059 357 HD22 ASN 42 2HD2 ASN 42 1.163 -8.823 5.753 358 H ILE 43 H ILE 43 -1.118 -2.882 7.579 359 HA ILE 43 HA ILE 43 0.920 -0.899 6.950 360 HB ILE 43 HB ILE 43 -2.100 -0.446 7.141 361 HG12 ILE 43 2HG1 ILE 43 -1.718 -2.225 5.474 362 HG13 ILE 43 1HG1 ILE 43 -2.208 -0.742 4.670 363 HG21 ILE 43 1HG2 ILE 43 -0.772 1.613 7.200 364 HG22 ILE 43 2HG2 ILE 43 -1.651 1.499 5.675 365 HG23 ILE 43 3HG2 ILE 43 0.079 1.142 5.723 366 HD11 ILE 43 3HD1 ILE 43 0.134 -0.337 4.039 367 HD12 ILE 43 1HD1 ILE 43 -0.486 -1.867 3.420 368 HD13 ILE 43 2HD1 ILE 43 0.590 -1.856 4.815 369 H LEU 44 H LEU 44 1.975 -0.757 8.961 370 HA LEU 44 HA LEU 44 0.545 0.227 11.317 371 HG LEU 44 HG LEU 44 3.265 -1.953 12.735 372 HB2 LEU 44 2HB LEU 44 3.456 -0.447 10.763 373 HB3 LEU 44 1HB LEU 44 2.979 0.375 12.236 374 HD11 LEU 44 1HD1 LEU 44 1.429 -0.833 13.897 375 HD12 LEU 44 2HD1 LEU 44 1.111 -2.553 13.683 376 HD13 LEU 44 3HD1 LEU 44 0.296 -1.371 12.654 377 HD21 LEU 44 3HD2 LEU 44 2.032 -3.768 11.655 378 HD22 LEU 44 1HD2 LEU 44 3.029 -2.898 10.491 379 HD23 LEU 44 2HD2 LEU 44 1.286 -2.623 10.537 380 H ASP 45 H ASP 45 1.957 1.546 8.527 381 HA ASP 45 HA ASP 45 2.919 4.017 9.766 382 HB2 ASP 45 2HB ASP 45 4.327 2.829 8.078 383 HB3 ASP 45 1HB ASP 45 3.076 3.086 6.869 384 HA PRO 46 HA PRO 46 -1.121 5.878 8.780 385 HB2 PRO 46 2HB PRO 46 0.016 8.372 9.940 386 HB3 PRO 46 1HB PRO 46 -1.364 7.406 10.482 387 HG2 PRO 46 2HG PRO 46 0.943 7.437 11.862 388 HG3 PRO 46 1HG PRO 46 -0.026 5.950 11.733 389 HD2 PRO 46 2HD PRO 46 2.428 6.760 10.143 390 HD3 PRO 46 1HD PRO 46 2.075 5.214 10.955 391 H ARG 47 H ARG 47 1.946 6.968 7.540 392 HA ARG 47 HA ARG 47 0.927 9.194 5.996 393 HE ARG 47 HE ARG 47 4.553 10.189 9.300 394 HB2 ARG 47 2HB ARG 47 3.578 7.734 5.641 395 HB3 ARG 47 1HB ARG 47 3.142 9.258 4.890 396 HG2 ARG 47 2HG ARG 47 4.568 9.883 6.650 397 HG3 ARG 47 1HG ARG 47 2.960 10.195 7.306 398 HD2 ARG 47 2HD ARG 47 3.051 8.058 8.529 399 HD3 ARG 47 1HD ARG 47 4.637 7.721 7.834 400 HH11 ARG 47 1HH1 ARG 47 5.043 6.714 9.591 401 HH12 ARG 47 2HH1 ARG 47 5.827 6.838 11.131 402 HH21 ARG 47 1HH2 ARG 47 5.595 10.332 11.305 403 HH22 ARG 47 2HH2 ARG 47 6.136 8.897 12.103 404 H LEU 48 H LEU 48 1.412 5.755 5.513 405 HA LEU 48 HA LEU 48 0.909 5.633 2.711 406 HG LEU 48 HG LEU 48 2.459 3.807 5.261 407 HB2 LEU 48 2HB LEU 48 0.160 3.465 4.715 408 HB3 LEU 48 1HB LEU 48 0.509 3.270 3.001 409 HD11 LEU 48 1HD1 LEU 48 2.297 1.506 3.291 410 HD12 LEU 48 2HD1 LEU 48 1.809 1.478 4.990 411 HD13 LEU 48 3HD1 LEU 48 3.502 1.710 4.568 412 HD21 LEU 48 3HD2 LEU 48 3.096 3.906 2.299 413 HD22 LEU 48 1HD2 LEU 48 4.276 3.917 3.609 414 HD23 LEU 48 2HD2 LEU 48 3.146 5.253 3.439 415 H LEU 49 H LEU 49 -1.127 5.586 5.573 416 HA LEU 49 HA LEU 49 -3.644 5.050 4.411 417 HG LEU 49 HG LEU 49 -2.090 4.212 7.093 418 HB2 LEU 49 2HB LEU 49 -2.984 6.525 6.984 419 HB3 LEU 49 1HB LEU 49 -4.574 5.904 6.562 420 HD11 LEU 49 1HD1 LEU 49 -2.951 5.234 9.142 421 HD12 LEU 49 2HD1 LEU 49 -3.233 3.496 9.144 422 HD13 LEU 49 3HD1 LEU 49 -4.568 4.604 8.809 423 HD21 LEU 49 3HD2 LEU 49 -4.930 3.322 6.494 424 HD22 LEU 49 1HD2 LEU 49 -3.593 2.269 6.965 425 HD23 LEU 49 2HD2 LEU 49 -3.528 3.138 5.435 426 H ILE 50 H ILE 50 -1.758 7.990 4.538 427 HA ILE 50 HA ILE 50 -3.829 9.882 4.131 428 HB ILE 50 HB ILE 50 -0.905 10.051 3.281 429 HG12 ILE 50 2HG1 ILE 50 -2.336 11.122 5.762 430 HG13 ILE 50 1HG1 ILE 50 -1.208 9.772 5.727 431 HG21 ILE 50 1HG2 ILE 50 -2.964 12.286 3.449 432 HG22 ILE 50 2HG2 ILE 50 -2.235 11.647 1.972 433 HG23 ILE 50 3HG2 ILE 50 -1.238 12.503 3.147 434 HD11 ILE 50 3HD1 ILE 50 -0.171 11.770 6.622 435 HD12 ILE 50 1HD1 ILE 50 -0.535 12.657 5.142 436 HD13 ILE 50 2HD1 ILE 50 0.598 11.303 5.109 437 H ALA 51 H ALA 51 -1.763 8.114 1.736 438 HA ALA 51 HA ALA 51 -3.091 9.216 -0.564 439 HB1 ALA 51 1HB ALA 51 -1.458 6.671 -0.441 440 HB2 ALA 51 2HB ALA 51 -0.818 8.285 -0.747 441 HB3 ALA 51 3HB ALA 51 -1.926 7.548 -1.906 442 H PHE 52 H PHE 52 -3.706 6.402 1.455 443 HA PHE 52 HA PHE 52 -5.746 5.129 0.037 444 HD1 PHE 52 2HD PHE 52 -7.290 2.988 1.236 445 HD2 PHE 52 1HD PHE 52 -7.145 5.985 4.282 446 HE1 PHE 52 2HE PHE 52 -9.509 2.315 2.020 447 HE2 PHE 52 1HE PHE 52 -9.384 5.301 5.055 448 HZ PHE 52 HZ PHE 52 -10.567 3.463 3.917 449 HB2 PHE 52 2HB PHE 52 -5.086 4.072 2.050 450 HB3 PHE 52 1HB PHE 52 -5.205 5.551 2.987 451 H GLN 53 H GLN 53 -5.991 7.929 2.263 452 HA GLN 53 HA GLN 53 -8.737 8.534 1.926 453 HB2 GLN 53 2HB GLN 53 -6.365 10.273 2.716 454 HB3 GLN 53 1HB GLN 53 -8.032 10.849 2.772 455 HG2 GLN 53 2HG GLN 53 -8.610 9.308 4.499 456 HG3 GLN 53 1HG GLN 53 -7.107 8.401 4.298 457 HE21 GLN 53 1HE2 GLN 53 -5.217 9.209 5.204 458 HE22 GLN 53 2HE2 GLN 53 -5.193 10.518 6.319 459 H ASN 54 H ASN 54 -5.864 9.681 0.174 460 HA ASN 54 HA ASN 54 -7.131 11.498 -1.595 461 HB2 ASN 54 2HB ASN 54 -4.508 9.966 -1.820 462 HB3 ASN 54 1HB ASN 54 -5.065 11.039 -3.102 463 HD21 ASN 54 1HD2 ASN 54 -3.693 10.856 0.085 464 HD22 ASN 54 2HD2 ASN 54 -3.381 12.537 0.276 465 H ARG 55 H ARG 55 -6.770 8.007 -1.630 466 HA ARG 55 HA ARG 55 -7.570 7.658 -4.369 467 HE ARG 55 HE ARG 55 -8.099 3.862 -6.593 468 HB2 ARG 55 2HB ARG 55 -6.075 6.064 -2.934 469 HB3 ARG 55 1HB ARG 55 -7.587 5.426 -2.301 470 HG2 ARG 55 2HG ARG 55 -6.980 5.535 -5.279 471 HG3 ARG 55 1HG ARG 55 -6.477 4.180 -4.275 472 HD2 ARG 55 2HD ARG 55 -8.644 3.389 -4.020 473 HD3 ARG 55 1HD ARG 55 -9.374 4.977 -4.229 474 HH11 ARG 55 1HH1 ARG 55 -11.145 4.340 -4.873 475 HH12 ARG 55 2HH1 ARG 55 -12.101 4.056 -6.289 476 HH21 ARG 55 1HH2 ARG 55 -9.374 3.558 -8.417 477 HH22 ARG 55 2HH2 ARG 55 -11.103 3.617 -8.296 478 H GLU 56 H GLU 56 -9.166 7.690 -1.229 479 HA GLU 56 HA GLU 56 -11.647 6.548 -2.009 480 HB2 GLU 56 2HB GLU 56 -11.139 8.530 0.250 481 HB3 GLU 56 1HB GLU 56 -12.564 7.510 0.075 482 HG2 GLU 56 2HG GLU 56 -9.735 6.634 0.690 483 HG3 GLU 56 1HG GLU 56 -11.130 6.565 1.758 484 H ARG 57 H ARG 57 -10.308 9.730 -2.501 485 HA ARG 57 HA ARG 57 -12.932 10.811 -3.358 486 HE ARG 57 HE ARG 57 -7.661 13.432 -1.350 487 HB2 ARG 57 2HB ARG 57 -11.918 13.053 -3.198 488 HB3 ARG 57 1HB ARG 57 -11.828 12.188 -1.669 489 HG2 ARG 57 2HG ARG 57 -9.463 11.743 -1.988 490 HG3 ARG 57 1HG ARG 57 -9.506 12.425 -3.617 491 HD2 ARG 57 2HD ARG 57 -10.005 14.644 -2.713 492 HD3 ARG 57 1HD ARG 57 -10.085 13.995 -1.074 493 HH11 ARG 57 1HH1 ARG 57 -8.983 15.984 -3.387 494 HH12 ARG 57 2HH1 ARG 57 -7.510 16.902 -3.389 495 HH21 ARG 57 1HH2 ARG 57 -5.759 14.682 -1.345 496 HH22 ARG 57 2HH2 ARG 57 -5.702 16.168 -2.234 497 H GLN 58 H GLN 58 -10.815 9.027 -4.858 498 HA GLN 58 HA GLN 58 -11.123 10.503 -7.408 499 HB2 GLN 58 2HB GLN 58 -8.924 9.960 -8.189 500 HB3 GLN 58 1HB GLN 58 -8.721 10.677 -6.593 501 HG2 GLN 58 2HG GLN 58 -8.592 8.279 -5.703 502 HG3 GLN 58 1HG GLN 58 -8.452 7.765 -7.384 503 HE21 GLN 58 1HE2 GLN 58 -6.377 6.926 -7.031 504 HE22 GLN 58 2HE2 GLN 58 -4.991 7.931 -6.794 505 H GLU 59 H GLU 59 -10.767 8.972 -9.293 506 HA GLU 59 HA GLU 59 -12.361 6.544 -8.781 507 HB2 GLU 59 2HB GLU 59 -12.036 8.168 -11.337 508 HB3 GLU 59 1HB GLU 59 -13.087 6.765 -11.145 509 HG2 GLU 59 2HG GLU 59 -14.405 7.994 -9.451 510 HG3 GLU 59 1HG GLU 59 -13.359 9.399 -9.655 511 H GLN 60 H GLN 60 -9.275 7.645 -10.015 512 HA GLN 60 HA GLN 60 -8.587 4.924 -10.990 513 HB2 GLN 60 2HB GLN 60 -7.289 7.630 -11.535 514 HB3 GLN 60 1HB GLN 60 -6.480 6.120 -11.911 515 HG2 GLN 60 2HG GLN 60 -7.413 6.887 -13.942 516 HG3 GLN 60 1HG GLN 60 -8.438 5.557 -13.425 517 HE21 GLN 60 1HE2 GLN 60 -10.580 5.991 -12.829 518 HE22 GLN 60 2HE2 GLN 60 -11.346 7.491 -13.197 Start of MODEL 7 1 H1 GLY 1 1HT GLY 1 20.213 -7.890 0.235 2 H2 GLY 1 2HT GLY 1 19.601 -6.416 -0.325 3 H3 GLY 1 3HT GLY 1 20.142 -6.554 1.269 4 HA2 GLY 1 1HA GLY 1 22.383 -6.940 0.511 5 HA3 GLY 1 2HA GLY 1 21.818 -6.769 -1.146 6 H SER 2 H SER 2 22.977 -4.929 -1.681 7 HA SER 2 HA SER 2 22.773 -2.534 0.041 8 HG SER 2 HG SER 2 24.236 -0.805 -1.703 9 HB2 SER 2 2HB SER 2 25.044 -3.335 -0.675 10 HB3 SER 2 1HB SER 2 24.593 -3.042 -2.354 11 H GLU 3 H GLU 3 21.875 -0.640 -0.697 12 HA GLU 3 HA GLU 3 20.820 0.938 -1.880 13 HB2 GLU 3 2HB GLU 3 22.369 0.548 -3.767 14 HB3 GLU 3 1HB GLU 3 21.330 -0.738 -4.372 15 HG2 GLU 3 2HG GLU 3 19.496 0.957 -4.702 16 HG3 GLU 3 1HG GLU 3 20.628 2.218 -4.208 17 H HIS 4 H HIS 4 19.782 -2.336 -2.836 18 HA HIS 4 HA HIS 4 17.130 -1.601 -3.621 19 HD1 HIS 4 1HD HIS 4 16.737 -3.597 -6.262 20 HD2 HIS 4 2HD HIS 4 20.582 -3.698 -4.692 21 HE1 HIS 4 1HE HIS 4 18.278 -3.652 -8.242 22 HE2 HIS 4 2HE HIS 4 20.578 -3.907 -7.270 23 HB2 HIS 4 2HB HIS 4 18.314 -4.346 -3.014 24 HB3 HIS 4 1HB HIS 4 16.754 -4.069 -3.778 25 H VAL 5 H VAL 5 16.485 -0.415 -1.795 26 HA VAL 5 HA VAL 5 16.101 -1.691 0.787 27 HB VAL 5 HB VAL 5 15.235 0.542 1.522 28 HG11 VAL 5 1HG1 VAL 5 17.915 0.652 0.070 29 HG12 VAL 5 2HG1 VAL 5 17.634 0.060 1.709 30 HG13 VAL 5 3HG1 VAL 5 17.392 1.766 1.339 31 HG21 VAL 5 3HG2 VAL 5 14.193 1.320 -0.575 32 HG22 VAL 5 1HG2 VAL 5 15.775 1.439 -1.350 33 HG23 VAL 5 2HG2 VAL 5 15.365 2.510 -0.006 34 H PHE 6 H PHE 6 14.193 -2.320 1.620 35 HA PHE 6 HA PHE 6 11.734 -2.112 -0.011 36 HD1 PHE 6 1HD PHE 6 14.463 -4.961 0.838 37 HD2 PHE 6 2HD PHE 6 10.571 -4.769 -0.935 38 HE1 PHE 6 1HE PHE 6 15.231 -6.372 -1.023 39 HE2 PHE 6 2HE PHE 6 11.351 -6.186 -2.785 40 HZ PHE 6 HZ PHE 6 13.680 -6.984 -2.829 41 HB2 PHE 6 2HB PHE 6 12.502 -4.143 2.130 42 HB3 PHE 6 1HB PHE 6 10.915 -4.051 1.368 43 H ALA 7 H ALA 7 11.140 -0.132 0.640 44 HA ALA 7 HA ALA 7 9.906 0.106 3.312 45 HB1 ALA 7 1HB ALA 7 11.441 2.321 1.867 46 HB2 ALA 7 2HB ALA 7 11.971 1.480 3.326 47 HB3 ALA 7 3HB ALA 7 10.535 2.501 3.376 48 H VAL 8 H VAL 8 7.781 0.652 3.111 49 HA VAL 8 HA VAL 8 6.598 0.850 0.522 50 HB VAL 8 HB VAL 8 5.283 1.245 3.250 51 HG11 VAL 8 1HG1 VAL 8 3.908 2.271 1.467 52 HG12 VAL 8 2HG1 VAL 8 3.129 0.809 2.071 53 HG13 VAL 8 3HG1 VAL 8 3.981 0.777 0.526 54 HG21 VAL 8 3HG2 VAL 8 4.498 -1.086 3.001 55 HG22 VAL 8 1HG2 VAL 8 6.263 -1.006 3.017 56 HG23 VAL 8 2HG2 VAL 8 5.401 -1.240 1.492 57 H GLU 9 H GLU 9 5.694 2.554 -0.482 58 HA GLU 9 HA GLU 9 6.502 5.247 0.258 59 HB2 GLU 9 2HB GLU 9 6.976 4.468 -2.046 60 HB3 GLU 9 1HB GLU 9 5.277 4.118 -2.305 61 HG2 GLU 9 2HG GLU 9 5.811 6.161 -3.435 62 HG3 GLU 9 1HG GLU 9 4.771 6.550 -2.069 63 H SER 10 H SER 10 3.621 3.462 -0.825 64 HA SER 10 HA SER 10 1.757 4.890 0.778 65 HG SER 10 HG SER 10 1.931 4.852 -2.808 66 HB2 SER 10 2HB SER 10 0.660 6.075 -1.214 67 HB3 SER 10 1HB SER 10 2.211 6.743 -0.708 68 H ILE 11 H ILE 11 -0.523 4.543 -0.185 69 HA ILE 11 HA ILE 11 -0.803 1.743 -1.043 70 HB ILE 11 HB ILE 11 -2.768 3.714 0.189 71 HG12 ILE 11 2HG1 ILE 11 -1.526 1.185 1.382 72 HG13 ILE 11 1HG1 ILE 11 -0.932 2.817 1.688 73 HG21 ILE 11 1HG2 ILE 11 -3.254 0.800 -0.548 74 HG22 ILE 11 2HG2 ILE 11 -3.995 2.207 -1.315 75 HG23 ILE 11 3HG2 ILE 11 -4.366 1.824 0.367 76 HD11 ILE 11 3HD1 ILE 11 -3.674 1.797 2.409 77 HD12 ILE 11 1HD1 ILE 11 -3.017 3.396 2.769 78 HD13 ILE 11 2HD1 ILE 11 -2.302 1.962 3.503 79 H GLU 12 H GLU 12 -1.308 1.322 -3.069 80 HA GLU 12 HA GLU 12 -1.822 3.430 -5.000 81 HB2 GLU 12 2HB GLU 12 -1.279 0.460 -5.474 82 HB3 GLU 12 1HB GLU 12 -1.222 1.751 -6.677 83 HG2 GLU 12 2HG GLU 12 0.675 1.332 -4.345 84 HG3 GLU 12 1HG GLU 12 1.025 1.109 -6.060 85 H LYS 13 H LYS 13 -3.372 0.516 -3.699 86 HA LYS 13 HA LYS 13 -5.888 1.172 -5.076 87 HB2 LYS 13 2HB LYS 13 -4.581 -1.593 -5.160 88 HB3 LYS 13 1HB LYS 13 -6.229 -1.246 -5.682 89 HG2 LYS 13 2HG LYS 13 -5.329 0.255 -7.454 90 HG3 LYS 13 1HG LYS 13 -3.687 -0.144 -6.933 91 HD2 LYS 13 2HD LYS 13 -4.118 -2.538 -7.506 92 HD3 LYS 13 1HD LYS 13 -5.731 -2.093 -8.082 93 HE2 LYS 13 2HE LYS 13 -4.695 -0.617 -9.789 94 HE3 LYS 13 1HE LYS 13 -3.090 -1.095 -9.225 95 HZ1 LYS 13 3HZ LYS 13 -3.593 -3.360 -9.852 96 HZ2 LYS 13 1HZ LYS 13 -3.765 -2.323 -11.173 97 HZ3 LYS 13 2HZ LYS 13 -5.135 -2.908 -10.372 98 H LYS 14 H LYS 14 -7.726 0.221 -4.164 99 HA LYS 14 HA LYS 14 -7.588 -0.709 -1.354 100 HB2 LYS 14 2HB LYS 14 -8.134 1.626 -1.199 101 HB3 LYS 14 1HB LYS 14 -9.168 1.574 -2.614 102 HG2 LYS 14 2HG LYS 14 -10.505 1.890 -0.610 103 HG3 LYS 14 1HG LYS 14 -10.881 0.331 -1.348 104 HD2 LYS 14 2HD LYS 14 -9.548 -0.834 0.354 105 HD3 LYS 14 1HD LYS 14 -9.025 0.708 1.029 106 HE2 LYS 14 2HE LYS 14 -11.883 -0.316 1.015 107 HE3 LYS 14 1HE LYS 14 -10.790 -0.321 2.400 108 HZ1 LYS 14 3HZ LYS 14 -11.700 2.116 0.969 109 HZ2 LYS 14 1HZ LYS 14 -10.736 2.071 2.357 110 HZ3 LYS 14 2HZ LYS 14 -12.339 1.550 2.426 111 H ARG 15 H ARG 15 -8.898 -2.471 -0.978 112 HA ARG 15 HA ARG 15 -11.573 -2.517 -1.993 113 HE ARG 15 HE ARG 15 -6.777 -6.329 -2.539 114 HB2 ARG 15 2HB ARG 15 -11.611 -4.696 -3.062 115 HB3 ARG 15 1HB ARG 15 -10.453 -3.677 -3.903 116 HG2 ARG 15 2HG ARG 15 -9.514 -5.633 -1.790 117 HG3 ARG 15 1HG ARG 15 -9.875 -6.192 -3.425 118 HD2 ARG 15 2HD ARG 15 -8.208 -4.442 -4.248 119 HD3 ARG 15 1HD ARG 15 -7.742 -4.213 -2.556 120 HH11 ARG 15 1HH1 ARG 15 -8.174 -5.717 -5.715 121 HH12 ARG 15 2HH1 ARG 15 -7.443 -7.121 -6.419 122 HH21 ARG 15 1HH2 ARG 15 -5.832 -8.144 -3.481 123 HH22 ARG 15 2HH2 ARG 15 -6.125 -8.497 -5.155 124 H ILE 16 H ILE 16 -12.922 -4.023 -0.923 125 HA ILE 16 HA ILE 16 -11.770 -5.546 1.336 126 HB ILE 16 HB ILE 16 -14.316 -3.859 1.353 127 HG12 ILE 16 2HG1 ILE 16 -11.850 -3.930 3.114 128 HG13 ILE 16 1HG1 ILE 16 -12.238 -2.674 1.941 129 HG21 ILE 16 1HG2 ILE 16 -13.516 -5.960 3.419 130 HG22 ILE 16 2HG2 ILE 16 -14.906 -6.044 2.334 131 HG23 ILE 16 3HG2 ILE 16 -14.850 -4.813 3.595 132 HD11 ILE 16 3HD1 ILE 16 -14.176 -2.033 3.326 133 HD12 ILE 16 1HD1 ILE 16 -12.637 -1.891 4.173 134 HD13 ILE 16 2HD1 ILE 16 -13.704 -3.252 4.516 135 H ARG 17 H ARG 17 -12.235 -7.598 1.280 136 HA ARG 17 HA ARG 17 -14.691 -8.572 0.024 137 HE ARG 17 HE ARG 17 -12.175 -9.900 -3.523 138 HB2 ARG 17 2HB ARG 17 -12.889 -8.879 -1.656 139 HB3 ARG 17 1HB ARG 17 -11.912 -9.741 -0.472 140 HG2 ARG 17 2HG ARG 17 -13.612 -11.548 -0.399 141 HG3 ARG 17 1HG ARG 17 -14.581 -10.681 -1.595 142 HD2 ARG 17 2HD ARG 17 -11.776 -11.773 -2.034 143 HD3 ARG 17 1HD ARG 17 -13.272 -12.510 -2.619 144 HH11 ARG 17 1HH1 ARG 17 -14.163 -12.727 -4.189 145 HH12 ARG 17 2HH1 ARG 17 -14.406 -12.304 -5.852 146 HH21 ARG 17 1HH2 ARG 17 -12.503 -9.394 -5.723 147 HH22 ARG 17 2HH2 ARG 17 -13.473 -10.438 -6.711 148 H LYS 18 H LYS 18 -15.750 -9.802 1.373 149 HA LYS 18 HA LYS 18 -16.397 -11.217 2.997 150 HB2 LYS 18 2HB LYS 18 -13.530 -12.250 2.879 151 HB3 LYS 18 1HB LYS 18 -14.877 -13.078 3.661 152 HG2 LYS 18 2HG LYS 18 -16.001 -13.350 1.484 153 HG3 LYS 18 1HG LYS 18 -14.696 -12.456 0.692 154 HD2 LYS 18 2HD LYS 18 -13.087 -14.248 1.408 155 HD3 LYS 18 1HD LYS 18 -14.444 -15.148 2.098 156 HE2 LYS 18 2HE LYS 18 -15.485 -15.235 -0.181 157 HE3 LYS 18 1HE LYS 18 -14.047 -14.444 -0.837 158 HZ1 LYS 18 3HZ LYS 18 -13.956 -16.836 -1.108 159 HZ2 LYS 18 1HZ LYS 18 -14.109 -17.065 0.559 160 HZ3 LYS 18 2HZ LYS 18 -12.728 -16.319 -0.070 161 H GLY 19 H GLY 19 -15.248 -8.568 3.648 162 HA2 GLY 19 2HA GLY 19 -15.130 -7.332 5.603 163 HA3 GLY 19 1HA GLY 19 -15.137 -8.816 6.534 164 H ARG 20 H ARG 20 -12.782 -8.818 4.097 165 HA ARG 20 HA ARG 20 -10.605 -8.103 5.975 166 HE ARG 20 HE ARG 20 -10.885 -11.995 8.115 167 HB2 ARG 20 2HB ARG 20 -10.575 -9.962 3.554 168 HB3 ARG 20 1HB ARG 20 -9.145 -9.502 4.476 169 HG2 ARG 20 2HG ARG 20 -11.519 -11.009 5.636 170 HG3 ARG 20 1HG ARG 20 -10.049 -11.771 5.021 171 HD2 ARG 20 2HD ARG 20 -8.720 -10.531 6.724 172 HD3 ARG 20 1HD ARG 20 -10.212 -9.831 7.357 173 HH11 ARG 20 1HH1 ARG 20 -7.542 -11.955 6.967 174 HH12 ARG 20 2HH1 ARG 20 -7.116 -13.395 7.834 175 HH21 ARG 20 1HH2 ARG 20 -10.291 -13.883 9.234 176 HH22 ARG 20 2HH2 ARG 20 -8.663 -14.477 9.120 177 H VAL 21 H VAL 21 -9.759 -6.171 5.577 178 HA VAL 21 HA VAL 21 -9.875 -4.973 2.897 179 HB VAL 21 HB VAL 21 -10.626 -3.546 4.764 180 HG11 VAL 21 1HG1 VAL 21 -9.259 -4.418 6.589 181 HG12 VAL 21 2HG1 VAL 21 -9.075 -2.667 6.469 182 HG13 VAL 21 3HG1 VAL 21 -7.805 -3.733 5.859 183 HG21 VAL 21 3HG2 VAL 21 -8.069 -2.531 3.455 184 HG22 VAL 21 1HG2 VAL 21 -9.298 -1.512 4.213 185 HG23 VAL 21 2HG2 VAL 21 -9.695 -2.453 2.774 186 H GLU 22 H GLU 22 -8.113 -4.640 1.659 187 HA GLU 22 HA GLU 22 -5.407 -5.121 2.701 188 HB2 GLU 22 2HB GLU 22 -4.887 -6.601 0.726 189 HB3 GLU 22 1HB GLU 22 -6.041 -7.314 1.853 190 HG2 GLU 22 2HG GLU 22 -7.894 -6.625 0.358 191 HG3 GLU 22 1HG GLU 22 -6.716 -5.977 -0.780 192 H TYR 23 H TYR 23 -3.796 -4.179 1.446 193 HA TYR 23 HA TYR 23 -4.654 -1.965 -0.321 194 HD1 TYR 23 1HD TYR 23 -5.940 -0.617 0.643 195 HD2 TYR 23 2HD TYR 23 -3.442 -0.971 4.097 196 HE1 TYR 23 1HE TYR 23 -7.719 0.290 2.046 197 HE2 TYR 23 2HE TYR 23 -5.248 -0.064 5.497 198 HH TYR 23 HH TYR 23 -7.247 1.214 5.337 199 HB2 TYR 23 2HB TYR 23 -2.693 -1.868 2.022 200 HB3 TYR 23 1HB TYR 23 -2.965 -0.545 0.893 201 H LEU 24 H LEU 24 -3.276 -1.513 -2.002 202 HA LEU 24 HA LEU 24 -1.065 -3.364 -2.499 203 HG LEU 24 HG LEU 24 0.205 -2.040 -4.939 204 HB2 LEU 24 2HB LEU 24 -2.724 -2.614 -4.305 205 HB3 LEU 24 1HB LEU 24 -1.959 -1.032 -4.254 206 HD11 LEU 24 1HD1 LEU 24 0.302 -4.405 -5.624 207 HD12 LEU 24 2HD1 LEU 24 -1.332 -4.653 -5.019 208 HD13 LEU 24 3HD1 LEU 24 -0.029 -4.228 -3.905 209 HD21 LEU 24 3HD2 LEU 24 -2.067 -2.836 -6.789 210 HD22 LEU 24 1HD2 LEU 24 -0.373 -2.628 -7.247 211 HD23 LEU 24 2HD2 LEU 24 -1.314 -1.239 -6.705 212 H VAL 25 H VAL 25 0.916 -2.898 -1.710 213 HA VAL 25 HA VAL 25 1.628 -0.120 -1.065 214 HB VAL 25 HB VAL 25 3.572 -1.060 0.121 215 HG11 VAL 25 1HG1 VAL 25 2.331 -2.225 1.941 216 HG12 VAL 25 2HG1 VAL 25 0.947 -2.442 0.866 217 HG13 VAL 25 3HG1 VAL 25 1.446 -0.818 1.347 218 HG21 VAL 25 3HG2 VAL 25 3.900 -3.489 0.399 219 HG22 VAL 25 1HG2 VAL 25 4.048 -3.018 -1.294 220 HG23 VAL 25 2HG2 VAL 25 2.579 -3.809 -0.725 221 H LYS 26 H LYS 26 2.866 1.086 -2.308 222 HA LYS 26 HA LYS 26 4.411 0.013 -4.548 223 HB2 LYS 26 2HB LYS 26 3.076 2.216 -4.572 224 HB3 LYS 26 1HB LYS 26 4.316 2.894 -3.531 225 HG2 LYS 26 2HG LYS 26 4.927 1.732 -6.276 226 HG3 LYS 26 1HG LYS 26 4.443 3.413 -6.044 227 HD2 LYS 26 2HD LYS 26 6.434 3.790 -4.609 228 HD3 LYS 26 1HD LYS 26 6.915 2.104 -4.822 229 HE2 LYS 26 2HE LYS 26 8.224 3.542 -6.295 230 HE3 LYS 26 1HE LYS 26 7.174 2.508 -7.264 231 HZ1 LYS 26 3HZ LYS 26 7.197 4.795 -8.050 232 HZ2 LYS 26 1HZ LYS 26 6.623 5.335 -6.557 233 HZ3 LYS 26 2HZ LYS 26 5.655 4.351 -7.525 234 H TRP 27 H TRP 27 6.397 -0.812 -4.103 235 HA TRP 27 HA TRP 27 7.861 -0.119 -1.704 236 HD1 TRP 27 HD TRP 27 6.519 -3.783 -3.687 237 HE1 TRP 27 1HE TRP 27 5.621 -5.146 -1.697 238 HE3 TRP 27 3HE TRP 27 9.150 -1.553 0.084 239 HZ2 TRP 27 2HZ TRP 27 5.955 -5.238 1.086 240 HZ3 TRP 27 3HZ TRP 27 8.788 -2.319 2.392 241 HH2 TRP 27 HH TRP 27 7.223 -4.128 2.878 242 HB2 TRP 27 2HB TRP 27 8.466 -2.034 -4.004 243 HB3 TRP 27 1HB TRP 27 9.531 -1.813 -2.619 244 H ARG 28 H ARG 28 9.398 1.370 -1.520 245 HA ARG 28 HA ARG 28 10.039 3.195 -3.627 246 HE ARG 28 HE ARG 28 11.741 5.975 -0.800 247 HB2 ARG 28 2HB ARG 28 11.138 2.939 -0.801 248 HB3 ARG 28 1HB ARG 28 11.541 4.261 -1.895 249 HG2 ARG 28 2HG ARG 28 9.101 4.869 -1.955 250 HG3 ARG 28 1HG ARG 28 8.803 3.630 -0.730 251 HD2 ARG 28 2HD ARG 28 8.978 5.862 0.282 252 HD3 ARG 28 1HD ARG 28 10.298 4.827 0.837 253 HH11 ARG 28 1HH1 ARG 28 8.777 7.630 0.127 254 HH12 ARG 28 2HH1 ARG 28 9.413 9.199 -0.231 255 HH21 ARG 28 1HH2 ARG 28 12.537 8.045 -1.302 256 HH22 ARG 28 2HH2 ARG 28 11.533 9.436 -1.054 257 H GLY 29 H GLY 29 11.988 3.498 -4.670 258 HA2 GLY 29 2HA GLY 29 14.062 2.971 -5.549 259 HA3 GLY 29 1HA GLY 29 14.243 1.683 -4.372 260 H TRP 30 H TRP 30 11.244 1.292 -5.676 261 HA TRP 30 HA TRP 30 12.099 -0.516 -7.865 262 HD1 TRP 30 HD TRP 30 11.416 -1.026 -3.601 263 HE1 TRP 30 1HE TRP 30 13.273 -2.577 -2.749 264 HE3 TRP 30 3HE TRP 30 12.344 -3.638 -7.906 265 HZ2 TRP 30 2HZ TRP 30 14.906 -4.627 -3.747 266 HZ3 TRP 30 3HZ TRP 30 14.081 -5.378 -7.867 267 HH2 TRP 30 HH TRP 30 15.339 -5.864 -5.827 268 HB2 TRP 30 2HB TRP 30 9.887 -1.053 -5.811 269 HB3 TRP 30 1HB TRP 30 10.372 -2.126 -7.123 270 H SER 31 H SER 31 10.245 -1.017 -9.342 271 HA SER 31 HA SER 31 8.391 1.215 -9.775 272 HG SER 31 HG SER 31 9.704 -1.741 -12.162 273 HB2 SER 31 2HB SER 31 7.827 -0.088 -11.880 274 HB3 SER 31 1HB SER 31 9.535 0.330 -11.758 275 HA PRO 32 HA PRO 32 5.049 -0.886 -7.672 276 HB2 PRO 32 2HB PRO 32 2.803 0.001 -8.922 277 HB3 PRO 32 1HB PRO 32 3.851 1.085 -7.991 278 HG2 PRO 32 2HG PRO 32 3.743 0.638 -10.972 279 HG3 PRO 32 1HG PRO 32 3.823 2.173 -10.086 280 HD2 PRO 32 2HD PRO 32 6.013 0.979 -11.227 281 HD3 PRO 32 1HD PRO 32 6.129 2.008 -9.777 282 H LYS 33 H LYS 33 6.118 -2.241 -10.402 283 HA LYS 33 HA LYS 33 4.051 -4.314 -10.599 284 HB2 LYS 33 2HB LYS 33 5.457 -5.355 -12.287 285 HB3 LYS 33 1HB LYS 33 5.307 -3.641 -12.655 286 HG2 LYS 33 2HG LYS 33 7.553 -3.216 -11.797 287 HG3 LYS 33 1HG LYS 33 7.717 -4.899 -11.287 288 HD2 LYS 33 2HD LYS 33 7.414 -3.943 -14.170 289 HD3 LYS 33 1HD LYS 33 8.930 -4.429 -13.405 290 HE2 LYS 33 2HE LYS 33 8.062 -6.720 -13.116 291 HE3 LYS 33 1HE LYS 33 6.523 -6.242 -13.836 292 HZ1 LYS 33 3HZ LYS 33 9.149 -6.171 -15.202 293 HZ2 LYS 33 1HZ LYS 33 7.662 -5.768 -15.891 294 HZ3 LYS 33 2HZ LYS 33 7.969 -7.359 -15.411 295 H TYR 34 H TYR 34 7.009 -3.621 -8.891 296 HA TYR 34 HA TYR 34 7.414 -6.333 -7.875 297 HD1 TYR 34 2HD TYR 34 10.081 -7.074 -8.107 298 HD2 TYR 34 1HD TYR 34 9.593 -3.028 -9.394 299 HE1 TYR 34 2HE TYR 34 11.506 -7.528 -10.048 300 HE2 TYR 34 1HE TYR 34 11.018 -3.486 -11.345 301 HH TYR 34 HH TYR 34 12.783 -5.083 -12.005 302 HB2 TYR 34 2HB TYR 34 8.803 -3.686 -7.214 303 HB3 TYR 34 1HB TYR 34 9.273 -5.247 -6.539 304 H ASN 35 H ASN 35 5.020 -4.512 -7.364 305 HA ASN 35 HA ASN 35 4.705 -3.752 -4.694 306 HB2 ASN 35 2HB ASN 35 2.290 -3.751 -5.277 307 HB3 ASN 35 1HB ASN 35 3.255 -3.036 -6.570 308 HD21 ASN 35 1HD2 ASN 35 1.386 -5.875 -5.640 309 HD22 ASN 35 2HD2 ASN 35 1.213 -6.518 -7.229 310 H THR 36 H THR 36 3.233 -4.710 -3.113 311 HA THR 36 HA THR 36 2.435 -7.522 -3.417 312 HB THR 36 HB THR 36 2.994 -7.935 -0.966 313 HG1 THR 36 1HG THR 36 3.432 -6.102 0.011 314 HG21 THR 36 3HG2 THR 36 4.474 -8.855 -2.720 315 HG22 THR 36 1HG2 THR 36 5.376 -8.409 -1.268 316 HG23 THR 36 2HG2 THR 36 5.419 -7.365 -2.690 317 H TRP 37 H TRP 37 0.408 -7.943 -2.479 318 HA TRP 37 HA TRP 37 -1.183 -5.732 -1.464 319 HD1 TRP 37 HD TRP 37 -1.499 -8.842 -4.482 320 HE1 TRP 37 1HE TRP 37 -2.564 -7.597 -6.469 321 HE3 TRP 37 3HE TRP 37 -3.889 -5.111 -1.919 322 HZ2 TRP 37 2HZ TRP 37 -4.180 -5.333 -6.893 323 HZ3 TRP 37 3HZ TRP 37 -5.162 -3.432 -3.192 324 HH2 TRP 37 HH TRP 37 -5.305 -3.548 -5.634 325 HB2 TRP 37 2HB TRP 37 -1.817 -8.697 -1.838 326 HB3 TRP 37 1HB TRP 37 -2.981 -7.512 -1.253 327 H GLU 38 H GLU 38 -0.686 -5.068 0.542 328 HA GLU 38 HA GLU 38 -0.272 -7.032 2.713 329 HB2 GLU 38 2HB GLU 38 0.508 -4.081 2.639 330 HB3 GLU 38 1HB GLU 38 0.845 -5.209 3.952 331 HG2 GLU 38 2HG GLU 38 2.009 -5.260 1.144 332 HG3 GLU 38 1HG GLU 38 2.852 -4.872 2.643 333 HA PRO 39 HA PRO 39 -4.338 -5.838 4.336 334 HB2 PRO 39 2HB PRO 39 -4.018 -6.862 6.887 335 HB3 PRO 39 1HB PRO 39 -4.354 -7.864 5.466 336 HG2 PRO 39 2HG PRO 39 -1.659 -7.226 6.730 337 HG3 PRO 39 1HG PRO 39 -2.335 -8.817 6.287 338 HD2 PRO 39 2HD PRO 39 -0.617 -7.609 4.656 339 HD3 PRO 39 1HD PRO 39 -2.045 -8.423 3.974 340 H GLU 40 H GLU 40 -5.260 -4.542 6.166 341 HA GLU 40 HA GLU 40 -3.834 -2.098 6.554 342 HB2 GLU 40 2HB GLU 40 -6.324 -2.255 6.350 343 HB3 GLU 40 1HB GLU 40 -6.384 -3.055 7.919 344 HG2 GLU 40 2HG GLU 40 -5.384 -0.989 8.946 345 HG3 GLU 40 1HG GLU 40 -5.478 -0.210 7.368 346 H GLU 41 H GLU 41 -4.293 -4.980 8.497 347 HA GLU 41 HA GLU 41 -3.335 -4.041 11.018 348 HB2 GLU 41 2HB GLU 41 -3.113 -6.429 11.595 349 HB3 GLU 41 1HB GLU 41 -4.642 -6.126 10.772 350 HG2 GLU 41 2HG GLU 41 -3.677 -7.000 8.664 351 HG3 GLU 41 1HG GLU 41 -2.153 -7.316 9.495 352 H ASN 42 H ASN 42 -1.742 -4.622 8.070 353 HA ASN 42 HA ASN 42 0.941 -4.855 9.238 354 HB2 ASN 42 2HB ASN 42 0.195 -6.156 7.158 355 HB3 ASN 42 1HB ASN 42 0.133 -4.626 6.297 356 HD21 ASN 42 1HD2 ASN 42 1.729 -6.944 5.757 357 HD22 ASN 42 2HD2 ASN 42 3.365 -6.439 5.778 358 H ILE 43 H ILE 43 -1.174 -2.638 7.455 359 HA ILE 43 HA ILE 43 0.791 -0.509 7.264 360 HB ILE 43 HB ILE 43 -2.173 -0.400 6.524 361 HG12 ILE 43 2HG1 ILE 43 -1.079 -2.209 5.240 362 HG13 ILE 43 1HG1 ILE 43 -1.473 -0.863 4.180 363 HG21 ILE 43 1HG2 ILE 43 0.160 1.377 5.686 364 HG22 ILE 43 2HG2 ILE 43 -1.151 1.821 6.782 365 HG23 ILE 43 3HG2 ILE 43 -1.494 1.505 5.083 366 HD11 ILE 43 3HD1 ILE 43 1.263 -1.563 5.258 367 HD12 ILE 43 1HD1 ILE 43 0.896 -0.164 4.240 368 HD13 ILE 43 2HD1 ILE 43 0.669 -1.796 3.614 369 H LEU 44 H LEU 44 1.212 -0.185 9.467 370 HA LEU 44 HA LEU 44 -0.847 1.105 11.143 371 HG LEU 44 HG LEU 44 0.681 -1.108 13.732 372 HB2 LEU 44 2HB LEU 44 1.802 -0.215 11.718 373 HB3 LEU 44 1HB LEU 44 1.286 1.055 12.803 374 HD11 LEU 44 1HD1 LEU 44 -0.816 0.772 14.186 375 HD12 LEU 44 2HD1 LEU 44 -1.693 -0.754 14.157 376 HD13 LEU 44 3HD1 LEU 44 -1.803 0.351 12.782 377 HD21 LEU 44 3HD2 LEU 44 -0.913 -2.633 12.646 378 HD22 LEU 44 1HD2 LEU 44 0.543 -2.422 11.673 379 HD23 LEU 44 2HD2 LEU 44 -0.947 -1.595 11.216 380 H ASP 45 H ASP 45 1.283 2.067 8.839 381 HA ASP 45 HA ASP 45 2.272 4.465 10.194 382 HB2 ASP 45 2HB ASP 45 3.848 3.137 8.867 383 HB3 ASP 45 1HB ASP 45 2.853 3.364 7.424 384 HA PRO 46 HA PRO 46 -1.359 6.690 8.563 385 HB2 PRO 46 2HB PRO 46 -0.621 9.197 9.497 386 HB3 PRO 46 1HB PRO 46 -1.392 7.957 10.502 387 HG2 PRO 46 2HG PRO 46 1.547 8.616 10.218 388 HG3 PRO 46 1HG PRO 46 0.609 8.347 11.703 389 HD2 PRO 46 2HD PRO 46 2.164 6.414 10.687 390 HD3 PRO 46 1HD PRO 46 0.576 6.010 11.400 391 H ARG 47 H ARG 47 2.013 7.450 7.878 392 HA ARG 47 HA ARG 47 1.767 9.472 5.928 393 HE ARG 47 HE ARG 47 5.603 10.249 5.489 394 HB2 ARG 47 2HB ARG 47 3.847 7.256 6.150 395 HB3 ARG 47 1HB ARG 47 4.020 8.699 5.152 396 HG2 ARG 47 2HG ARG 47 3.636 8.830 8.163 397 HG3 ARG 47 1HG ARG 47 5.226 8.691 7.405 398 HD2 ARG 47 2HD ARG 47 3.258 10.933 6.813 399 HD3 ARG 47 1HD ARG 47 4.556 11.042 8.008 400 HH11 ARG 47 1HH1 ARG 47 4.328 13.142 7.051 401 HH12 ARG 47 2HH1 ARG 47 5.310 14.203 6.099 402 HH21 ARG 47 1HH2 ARG 47 6.893 11.671 4.306 403 HH22 ARG 47 2HH2 ARG 47 6.747 13.379 4.567 404 H LEU 48 H LEU 48 1.623 5.956 5.638 405 HA LEU 48 HA LEU 48 1.441 5.803 2.774 406 HG LEU 48 HG LEU 48 2.680 4.169 5.526 407 HB2 LEU 48 2HB LEU 48 0.417 3.719 4.741 408 HB3 LEU 48 1HB LEU 48 0.989 3.457 3.094 409 HD11 LEU 48 1HD1 LEU 48 1.929 1.859 5.553 410 HD12 LEU 48 2HD1 LEU 48 3.665 1.948 5.271 411 HD13 LEU 48 3HD1 LEU 48 2.572 1.594 3.929 412 HD21 LEU 48 3HD2 LEU 48 3.628 5.272 3.588 413 HD22 LEU 48 1HD2 LEU 48 3.608 3.767 2.665 414 HD23 LEU 48 2HD2 LEU 48 4.653 3.931 4.079 415 H LEU 49 H LEU 49 -0.807 6.015 5.451 416 HA LEU 49 HA LEU 49 -3.221 5.429 4.033 417 HG LEU 49 HG LEU 49 -1.956 4.347 6.651 418 HB2 LEU 49 2HB LEU 49 -2.749 6.736 6.741 419 HB3 LEU 49 1HB LEU 49 -4.324 6.210 6.153 420 HD11 LEU 49 1HD1 LEU 49 -2.733 5.291 8.766 421 HD12 LEU 49 2HD1 LEU 49 -3.142 3.583 8.658 422 HD13 LEU 49 3HD1 LEU 49 -4.395 4.805 8.409 423 HD21 LEU 49 3HD2 LEU 49 -4.856 3.705 6.004 424 HD22 LEU 49 1HD2 LEU 49 -3.598 2.530 6.400 425 HD23 LEU 49 2HD2 LEU 49 -3.468 3.494 4.935 426 H ILE 50 H ILE 50 -1.372 8.392 4.574 427 HA ILE 50 HA ILE 50 -3.377 10.346 4.196 428 HB ILE 50 HB ILE 50 -0.431 10.464 3.389 429 HG12 ILE 50 2HG1 ILE 50 -1.821 11.589 5.863 430 HG13 ILE 50 1HG1 ILE 50 -0.838 10.136 5.830 431 HG21 ILE 50 1HG2 ILE 50 -1.676 12.162 2.115 432 HG22 ILE 50 2HG2 ILE 50 -0.657 12.933 3.328 433 HG23 ILE 50 3HG2 ILE 50 -2.393 12.784 3.604 434 HD11 ILE 50 3HD1 ILE 50 0.383 12.002 6.761 435 HD12 ILE 50 1HD1 ILE 50 0.144 12.931 5.281 436 HD13 ILE 50 2HD1 ILE 50 1.131 11.466 5.257 437 H ALA 51 H ALA 51 -1.199 8.804 1.851 438 HA ALA 51 HA ALA 51 -2.222 9.987 -0.503 439 HB1 ALA 51 1HB ALA 51 -0.792 7.326 -0.197 440 HB2 ALA 51 2HB ALA 51 -0.016 8.899 -0.390 441 HB3 ALA 51 3HB ALA 51 -0.990 8.234 -1.703 442 H PHE 52 H PHE 52 -3.016 6.991 1.175 443 HA PHE 52 HA PHE 52 -4.730 5.692 -0.585 444 HD1 PHE 52 2HD PHE 52 -6.307 3.566 0.018 445 HD2 PHE 52 1HD PHE 52 -6.115 5.335 3.911 446 HE1 PHE 52 2HE PHE 52 -8.403 2.467 0.642 447 HE2 PHE 52 1HE PHE 52 -8.222 4.218 4.517 448 HZ PHE 52 HZ PHE 52 -9.367 2.781 2.880 449 HB2 PHE 52 2HB PHE 52 -4.036 4.461 1.295 450 HB3 PHE 52 1HB PHE 52 -4.391 5.760 2.415 451 H GLN 53 H GLN 53 -5.579 8.037 1.966 452 HA GLN 53 HA GLN 53 -8.415 7.857 1.669 453 HB2 GLN 53 2HB GLN 53 -6.676 9.985 2.991 454 HB3 GLN 53 1HB GLN 53 -8.424 9.844 3.202 455 HG2 GLN 53 2HG GLN 53 -8.237 7.811 4.396 456 HG3 GLN 53 1HG GLN 53 -6.585 7.536 3.856 457 HE21 GLN 53 1HE2 GLN 53 -5.823 7.256 5.933 458 HE22 GLN 53 2HE2 GLN 53 -5.640 8.560 7.051 459 H ASN 54 H ASN 54 -5.968 9.954 0.298 460 HA ASN 54 HA ASN 54 -7.731 11.748 -1.095 461 HB2 ASN 54 2HB ASN 54 -4.779 11.103 -1.522 462 HB3 ASN 54 1HB ASN 54 -5.636 12.421 -2.321 463 HD21 ASN 54 1HD2 ASN 54 -3.325 12.500 -0.509 464 HD22 ASN 54 2HD2 ASN 54 -3.780 13.533 0.796 465 H ARG 55 H ARG 55 -6.109 8.698 -1.832 466 HA ARG 55 HA ARG 55 -6.331 8.826 -4.680 467 HE ARG 55 HE ARG 55 -5.565 5.409 -7.352 468 HB2 ARG 55 2HB ARG 55 -4.565 7.556 -3.355 469 HB3 ARG 55 1HB ARG 55 -5.790 6.358 -2.965 470 HG2 ARG 55 2HG ARG 55 -5.182 7.008 -5.856 471 HG3 ARG 55 1HG ARG 55 -4.090 5.963 -4.951 472 HD2 ARG 55 2HD ARG 55 -5.670 4.246 -4.767 473 HD3 ARG 55 1HD ARG 55 -7.042 5.329 -5.010 474 HH11 ARG 55 1HH1 ARG 55 -7.277 2.923 -5.579 475 HH12 ARG 55 2HH1 ARG 55 -7.764 2.079 -7.009 476 HH21 ARG 55 1HH2 ARG 55 -6.255 4.343 -9.208 477 HH22 ARG 55 2HH2 ARG 55 -7.170 2.874 -9.071 478 H GLU 56 H GLU 56 -8.379 7.559 -2.121 479 HA GLU 56 HA GLU 56 -10.056 5.875 -3.636 480 HB2 GLU 56 2HB GLU 56 -10.712 7.455 -1.118 481 HB3 GLU 56 1HB GLU 56 -11.757 6.220 -1.825 482 HG2 GLU 56 2HG GLU 56 -9.843 4.583 -1.545 483 HG3 GLU 56 1HG GLU 56 -9.002 5.830 -0.620 484 H ARG 57 H ARG 57 -10.006 9.378 -3.361 485 HA ARG 57 HA ARG 57 -12.441 9.608 -5.011 486 HE ARG 57 HE ARG 57 -14.900 13.857 -4.921 487 HB2 ARG 57 2HB ARG 57 -12.213 11.009 -2.886 488 HB3 ARG 57 1HB ARG 57 -10.911 11.894 -3.685 489 HG2 ARG 57 2HG ARG 57 -12.494 12.545 -5.492 490 HG3 ARG 57 1HG ARG 57 -13.785 11.685 -4.650 491 HD2 ARG 57 2HD ARG 57 -13.608 13.268 -2.766 492 HD3 ARG 57 1HD ARG 57 -12.273 14.101 -3.589 493 HH11 ARG 57 1HH1 ARG 57 -12.538 15.977 -3.418 494 HH12 ARG 57 2HH1 ARG 57 -13.172 17.401 -4.165 495 HH21 ARG 57 1HH2 ARG 57 -15.742 15.730 -5.845 496 HH22 ARG 57 2HH2 ARG 57 -15.008 17.265 -5.517 497 H GLN 58 H GLN 58 -9.108 9.391 -5.448 498 HA GLN 58 HA GLN 58 -8.992 11.081 -7.833 499 HB2 GLN 58 2HB GLN 58 -6.949 9.176 -6.629 500 HB3 GLN 58 1HB GLN 58 -6.676 10.108 -8.100 501 HG2 GLN 58 2HG GLN 58 -7.255 11.309 -5.376 502 HG3 GLN 58 1HG GLN 58 -5.650 11.107 -6.069 503 HE21 GLN 58 1HE2 GLN 58 -5.252 13.324 -5.939 504 HE22 GLN 58 2HE2 GLN 58 -5.990 14.478 -6.988 505 H GLU 59 H GLU 59 -8.988 10.368 -9.889 506 HA GLU 59 HA GLU 59 -9.824 9.323 -11.680 507 HB2 GLU 59 2HB GLU 59 -8.194 7.358 -10.531 508 HB3 GLU 59 1HB GLU 59 -9.724 6.514 -10.682 509 HG2 GLU 59 2HG GLU 59 -8.214 7.844 -12.969 510 HG3 GLU 59 1HG GLU 59 -8.186 6.126 -12.593 511 H GLN 60 H GLN 60 -11.491 10.249 -9.540 512 HA GLN 60 HA GLN 60 -13.780 8.570 -9.182 513 HB2 GLN 60 2HB GLN 60 -13.262 10.396 -7.607 514 HB3 GLN 60 1HB GLN 60 -13.464 11.595 -8.881 515 HG2 GLN 60 2HG GLN 60 -15.858 10.975 -9.058 516 HG3 GLN 60 1HG GLN 60 -15.640 9.809 -7.754 517 HE21 GLN 60 1HE2 GLN 60 -17.197 10.859 -6.469 518 HE22 GLN 60 2HE2 GLN 60 -16.895 12.374 -5.705 Start of MODEL 8 1 H1 GLY 1 1HT GLY 1 23.966 0.906 -2.144 2 H2 GLY 1 2HT GLY 1 23.981 2.396 -2.942 3 H3 GLY 1 3HT GLY 1 25.421 1.745 -2.344 4 HA2 GLY 1 1HA GLY 1 25.182 1.515 -4.765 5 HA3 GLY 1 2HA GLY 1 25.395 -0.010 -3.909 6 H SER 2 H SER 2 24.032 -1.568 -4.539 7 HA SER 2 HA SER 2 21.265 -0.916 -5.413 8 HG SER 2 HG SER 2 23.156 -4.028 -5.903 9 HB2 SER 2 2HB SER 2 21.447 -2.942 -6.911 10 HB3 SER 2 1HB SER 2 22.572 -1.655 -7.348 11 H GLU 3 H GLU 3 22.065 -1.378 -2.749 12 HA GLU 3 HA GLU 3 21.536 -4.053 -1.902 13 HB2 GLU 3 2HB GLU 3 21.428 -3.165 0.403 14 HB3 GLU 3 1HB GLU 3 22.839 -2.551 -0.439 15 HG2 GLU 3 2HG GLU 3 20.288 -0.936 -0.143 16 HG3 GLU 3 1HG GLU 3 21.558 -0.927 1.082 17 H HIS 4 H HIS 4 19.656 -4.879 -0.912 18 HA HIS 4 HA HIS 4 17.250 -4.069 -2.337 19 HD1 HIS 4 1HD HIS 4 16.310 -7.875 -3.256 20 HD2 HIS 4 2HD HIS 4 20.006 -6.011 -2.959 21 HE1 HIS 4 1HE HIS 4 17.658 -8.763 -5.183 22 HE2 HIS 4 2HE HIS 4 19.970 -7.838 -4.794 23 HB2 HIS 4 2HB HIS 4 17.870 -6.493 -0.589 24 HB3 HIS 4 1HB HIS 4 16.334 -6.245 -1.417 25 H VAL 5 H VAL 5 16.714 -2.125 -1.273 26 HA VAL 5 HA VAL 5 16.010 -2.159 1.563 27 HB VAL 5 HB VAL 5 15.518 0.263 1.303 28 HG11 VAL 5 1HG1 VAL 5 17.835 1.025 0.828 29 HG12 VAL 5 2HG1 VAL 5 18.207 -0.547 0.113 30 HG13 VAL 5 3HG1 VAL 5 17.818 -0.429 1.833 31 HG21 VAL 5 3HG2 VAL 5 14.656 0.316 -1.011 32 HG22 VAL 5 1HG2 VAL 5 16.252 -0.096 -1.643 33 HG23 VAL 5 2HG2 VAL 5 15.988 1.459 -0.844 34 H PHE 6 H PHE 6 14.021 -2.648 2.275 35 HA PHE 6 HA PHE 6 11.702 -2.493 0.425 36 HD1 PHE 6 2HD PHE 6 10.359 -4.984 -0.460 37 HD2 PHE 6 1HD PHE 6 14.081 -5.614 1.564 38 HE1 PHE 6 2HE PHE 6 11.070 -6.546 -2.227 39 HE2 PHE 6 1HE PHE 6 14.776 -7.171 -0.209 40 HZ PHE 6 HZ PHE 6 13.275 -7.637 -2.104 41 HB2 PHE 6 2HB PHE 6 12.231 -4.459 2.697 42 HB3 PHE 6 1HB PHE 6 10.669 -4.289 1.902 43 H ALA 7 H ALA 7 10.918 -0.552 0.873 44 HA ALA 7 HA ALA 7 9.613 -0.118 3.476 45 HB1 ALA 7 1HB ALA 7 10.336 2.258 3.498 46 HB2 ALA 7 2HB ALA 7 11.318 1.988 2.054 47 HB3 ALA 7 3HB ALA 7 11.726 1.175 3.567 48 H VAL 8 H VAL 8 7.567 0.656 3.213 49 HA VAL 8 HA VAL 8 6.445 0.796 0.561 50 HB VAL 8 HB VAL 8 5.165 1.306 3.280 51 HG11 VAL 8 1HG1 VAL 8 2.961 1.066 2.133 52 HG12 VAL 8 2HG1 VAL 8 3.783 0.972 0.574 53 HG13 VAL 8 3HG1 VAL 8 3.854 2.461 1.518 54 HG21 VAL 8 3HG2 VAL 8 4.207 -0.957 3.026 55 HG22 VAL 8 1HG2 VAL 8 5.973 -1.002 3.013 56 HG23 VAL 8 2HG2 VAL 8 5.073 -1.157 1.501 57 H GLU 9 H GLU 9 5.549 2.572 -0.455 58 HA GLU 9 HA GLU 9 6.667 5.199 0.255 59 HB2 GLU 9 2HB GLU 9 7.254 4.227 -1.987 60 HB3 GLU 9 1HB GLU 9 5.553 4.187 -2.410 61 HG2 GLU 9 2HG GLU 9 6.576 6.059 -3.511 62 HG3 GLU 9 1HG GLU 9 5.493 6.682 -2.265 63 H SER 10 H SER 10 3.720 3.763 -1.210 64 HA SER 10 HA SER 10 1.913 5.313 0.420 65 HG SER 10 HG SER 10 2.819 7.308 -0.294 66 HB2 SER 10 2HB SER 10 2.071 5.885 -2.577 67 HB3 SER 10 1HB SER 10 0.778 6.451 -1.514 68 H ILE 11 H ILE 11 -0.345 4.781 0.015 69 HA ILE 11 HA ILE 11 -0.877 2.091 -0.964 70 HB ILE 11 HB ILE 11 -2.680 4.236 0.265 71 HG12 ILE 11 2HG1 ILE 11 -1.615 1.598 1.393 72 HG13 ILE 11 1HG1 ILE 11 -1.052 3.208 1.838 73 HG21 ILE 11 1HG2 ILE 11 -4.479 2.523 0.386 74 HG22 ILE 11 2HG2 ILE 11 -3.475 1.405 -0.539 75 HG23 ILE 11 3HG2 ILE 11 -4.044 2.900 -1.285 76 HD11 ILE 11 3HD1 ILE 11 -2.494 2.283 3.541 77 HD12 ILE 11 1HD1 ILE 11 -3.796 2.071 2.371 78 HD13 ILE 11 2HD1 ILE 11 -3.254 3.695 2.806 79 H GLU 12 H GLU 12 -1.181 1.768 -3.076 80 HA GLU 12 HA GLU 12 -1.625 3.905 -4.975 81 HB2 GLU 12 2HB GLU 12 -1.356 0.897 -5.465 82 HB3 GLU 12 1HB GLU 12 -1.219 2.169 -6.679 83 HG2 GLU 12 2HG GLU 12 0.696 1.731 -4.358 84 HG3 GLU 12 1HG GLU 12 0.958 1.192 -6.015 85 H LYS 13 H LYS 13 -3.197 0.801 -4.166 86 HA LYS 13 HA LYS 13 -5.800 1.811 -5.136 87 HB2 LYS 13 2HB LYS 13 -4.617 -0.961 -5.657 88 HB3 LYS 13 1HB LYS 13 -6.265 -0.472 -6.065 89 HG2 LYS 13 2HG LYS 13 -5.192 1.332 -7.564 90 HG3 LYS 13 1HG LYS 13 -3.660 0.495 -7.305 91 HD2 LYS 13 2HD LYS 13 -6.159 -0.701 -8.573 92 HD3 LYS 13 1HD LYS 13 -4.729 -0.149 -9.445 93 HE2 LYS 13 2HE LYS 13 -3.386 -1.909 -8.373 94 HE3 LYS 13 1HE LYS 13 -4.789 -2.425 -7.438 95 HZ1 LYS 13 3HZ LYS 13 -4.559 -2.491 -10.384 96 HZ2 LYS 13 1HZ LYS 13 -5.904 -2.987 -9.493 97 HZ3 LYS 13 2HZ LYS 13 -4.439 -3.821 -9.347 98 H LYS 14 H LYS 14 -7.637 0.462 -4.310 99 HA LYS 14 HA LYS 14 -7.287 -0.459 -1.532 100 HB2 LYS 14 2HB LYS 14 -7.465 1.898 -1.176 101 HB3 LYS 14 1HB LYS 14 -8.679 2.097 -2.428 102 HG2 LYS 14 2HG LYS 14 -9.632 2.426 -0.198 103 HG3 LYS 14 1HG LYS 14 -10.375 1.043 -1.005 104 HD2 LYS 14 2HD LYS 14 -9.027 -0.505 0.343 105 HD3 LYS 14 1HD LYS 14 -8.175 0.853 1.086 106 HE2 LYS 14 2HE LYS 14 -9.907 -0.063 2.584 107 HE3 LYS 14 1HE LYS 14 -10.255 1.602 2.156 108 HZ1 LYS 14 3HZ LYS 14 -11.538 -0.813 1.018 109 HZ2 LYS 14 1HZ LYS 14 -11.844 0.767 0.510 110 HZ3 LYS 14 2HZ LYS 14 -12.241 0.298 2.085 111 H ARG 15 H ARG 15 -8.735 -2.026 -1.005 112 HA ARG 15 HA ARG 15 -11.491 -1.909 -1.905 113 HE ARG 15 HE ARG 15 -8.157 -3.738 -4.778 114 HB2 ARG 15 2HB ARG 15 -11.647 -4.159 -2.808 115 HB3 ARG 15 1HB ARG 15 -10.385 -3.321 -3.702 116 HG2 ARG 15 2HG ARG 15 -9.631 -5.035 -1.329 117 HG3 ARG 15 1HG ARG 15 -10.017 -5.812 -2.867 118 HD2 ARG 15 2HD ARG 15 -7.885 -3.670 -2.491 119 HD3 ARG 15 1HD ARG 15 -7.566 -5.414 -2.488 120 HH11 ARG 15 1HH1 ARG 15 -8.018 -7.069 -3.645 121 HH12 ARG 15 2HH1 ARG 15 -7.892 -7.724 -5.245 122 HH21 ARG 15 1HH2 ARG 15 -7.970 -4.623 -6.859 123 HH22 ARG 15 2HH2 ARG 15 -7.848 -6.336 -7.062 124 H ILE 16 H ILE 16 -12.811 -3.610 -0.768 125 HA ILE 16 HA ILE 16 -11.528 -4.914 1.566 126 HB ILE 16 HB ILE 16 -14.284 -3.587 1.492 127 HG12 ILE 16 2HG1 ILE 16 -11.972 -3.287 3.424 128 HG13 ILE 16 1HG1 ILE 16 -12.294 -2.166 2.100 129 HG21 ILE 16 1HG2 ILE 16 -13.240 -5.495 3.643 130 HG22 ILE 16 2HG2 ILE 16 -14.573 -5.812 2.530 131 HG23 ILE 16 3HG2 ILE 16 -14.729 -4.549 3.747 132 HD11 ILE 16 3HD1 ILE 16 -14.460 -1.611 3.163 133 HD12 ILE 16 1HD1 ILE 16 -13.064 -1.244 4.178 134 HD13 ILE 16 2HD1 ILE 16 -14.035 -2.677 4.509 135 H ARG 17 H ARG 17 -11.675 -7.032 1.420 136 HA ARG 17 HA ARG 17 -14.049 -8.298 0.323 137 HE ARG 17 HE ARG 17 -15.540 -10.656 -2.780 138 HB2 ARG 17 2HB ARG 17 -12.025 -8.013 -1.456 139 HB3 ARG 17 1HB ARG 17 -11.419 -9.446 -0.646 140 HG2 ARG 17 2HG ARG 17 -12.619 -10.246 -2.517 141 HG3 ARG 17 1HG ARG 17 -13.691 -10.533 -1.141 142 HD2 ARG 17 2HD ARG 17 -14.891 -8.403 -1.717 143 HD3 ARG 17 1HD ARG 17 -13.869 -8.253 -3.151 144 HH11 ARG 17 1HH1 ARG 17 -14.800 -7.802 -4.707 145 HH12 ARG 17 2HH1 ARG 17 -15.958 -8.201 -5.931 146 HH21 ARG 17 1HH2 ARG 17 -17.038 -11.136 -4.395 147 HH22 ARG 17 2HH2 ARG 17 -17.224 -10.072 -5.752 148 H LYS 18 H LYS 18 -14.391 -10.427 1.098 149 HA LYS 18 HA LYS 18 -14.386 -12.158 2.568 150 HB2 LYS 18 2HB LYS 18 -11.371 -11.706 2.516 151 HB3 LYS 18 1HB LYS 18 -12.143 -13.135 3.198 152 HG2 LYS 18 2HG LYS 18 -12.860 -13.901 1.038 153 HG3 LYS 18 1HG LYS 18 -12.521 -12.339 0.293 154 HD2 LYS 18 2HD LYS 18 -10.829 -14.045 -0.310 155 HD3 LYS 18 1HD LYS 18 -10.119 -12.674 0.548 156 HE2 LYS 18 2HE LYS 18 -10.189 -14.066 2.658 157 HE3 LYS 18 1HE LYS 18 -10.713 -15.437 1.675 158 HZ1 LYS 18 3HZ LYS 18 -8.171 -13.938 1.365 159 HZ2 LYS 18 1HZ LYS 18 -8.660 -15.241 0.415 160 HZ3 LYS 18 2HZ LYS 18 -8.345 -15.471 2.060 161 H GLY 19 H GLY 19 -14.682 -9.435 3.606 162 HA2 GLY 19 2HA GLY 19 -15.010 -8.357 5.608 163 HA3 GLY 19 1HA GLY 19 -14.650 -9.874 6.419 164 H ARG 20 H ARG 20 -12.421 -8.360 4.211 165 HA ARG 20 HA ARG 20 -10.545 -7.580 6.339 166 HE ARG 20 HE ARG 20 -7.554 -9.825 6.755 167 HB2 ARG 20 2HB ARG 20 -9.878 -9.472 4.017 168 HB3 ARG 20 1HB ARG 20 -8.695 -8.778 5.125 169 HG2 ARG 20 2HG ARG 20 -10.943 -10.660 5.958 170 HG3 ARG 20 1HG ARG 20 -9.278 -11.159 5.634 171 HD2 ARG 20 2HD ARG 20 -10.144 -9.194 7.799 172 HD3 ARG 20 1HD ARG 20 -9.703 -10.889 8.058 173 HH11 ARG 20 1HH1 ARG 20 -9.146 -8.991 9.774 174 HH12 ARG 20 2HH1 ARG 20 -7.686 -8.372 10.470 175 HH21 ARG 20 1HH2 ARG 20 -5.709 -9.060 7.701 176 HH22 ARG 20 2HH2 ARG 20 -5.761 -8.396 9.298 177 H VAL 21 H VAL 21 -8.989 -6.043 5.590 178 HA VAL 21 HA VAL 21 -9.549 -4.863 2.928 179 HB VAL 21 HB VAL 21 -10.585 -3.369 4.473 180 HG11 VAL 21 1HG1 VAL 21 -8.049 -3.336 6.119 181 HG12 VAL 21 2HG1 VAL 21 -9.582 -4.078 6.573 182 HG13 VAL 21 3HG1 VAL 21 -9.467 -2.324 6.408 183 HG21 VAL 21 3HG2 VAL 21 -9.338 -1.274 4.116 184 HG22 VAL 21 1HG2 VAL 21 -9.309 -2.288 2.671 185 HG23 VAL 21 2HG2 VAL 21 -7.887 -2.195 3.713 186 H GLU 22 H GLU 22 -7.883 -4.537 1.671 187 HA GLU 22 HA GLU 22 -5.118 -4.717 2.676 188 HB2 GLU 22 2HB GLU 22 -4.542 -6.195 0.709 189 HB3 GLU 22 1HB GLU 22 -5.589 -6.962 1.896 190 HG2 GLU 22 2HG GLU 22 -6.659 -5.702 -0.640 191 HG3 GLU 22 1HG GLU 22 -6.103 -7.374 -0.587 192 H TYR 23 H TYR 23 -3.550 -3.862 1.176 193 HA TYR 23 HA TYR 23 -4.563 -1.708 -0.577 194 HD1 TYR 23 2HD TYR 23 -5.830 0.018 0.841 195 HD2 TYR 23 1HD TYR 23 -2.989 -1.338 3.732 196 HE1 TYR 23 2HE TYR 23 -7.379 0.580 2.663 197 HE2 TYR 23 1HE TYR 23 -4.542 -0.780 5.541 198 HH TYR 23 HH TYR 23 -6.444 0.751 5.919 199 HB2 TYR 23 2HB TYR 23 -2.355 -1.332 1.496 200 HB3 TYR 23 1HB TYR 23 -3.096 -0.095 0.491 201 H LEU 24 H LEU 24 -3.235 -1.283 -2.335 202 HA LEU 24 HA LEU 24 -1.025 -3.110 -2.875 203 HG LEU 24 HG LEU 24 0.256 -1.937 -5.232 204 HB2 LEU 24 2HB LEU 24 -2.714 -2.253 -4.634 205 HB3 LEU 24 1HB LEU 24 -1.873 -0.711 -4.556 206 HD11 LEU 24 1HD1 LEU 24 -0.393 -4.203 -4.552 207 HD12 LEU 24 2HD1 LEU 24 0.059 -4.151 -6.253 208 HD13 LEU 24 3HD1 LEU 24 -1.648 -4.229 -5.799 209 HD21 LEU 24 3HD2 LEU 24 -0.297 -2.057 -7.600 210 HD22 LEU 24 1HD2 LEU 24 -1.075 -0.653 -6.870 211 HD23 LEU 24 2HD2 LEU 24 -2.017 -2.101 -7.224 212 H VAL 25 H VAL 25 0.820 -2.673 -1.787 213 HA VAL 25 HA VAL 25 1.553 0.048 -1.023 214 HB VAL 25 HB VAL 25 3.368 -1.020 0.290 215 HG11 VAL 25 1HG1 VAL 25 0.628 -2.304 0.734 216 HG12 VAL 25 2HG1 VAL 25 1.152 -0.727 1.336 217 HG13 VAL 25 3HG1 VAL 25 1.919 -2.196 1.938 218 HG21 VAL 25 3HG2 VAL 25 2.325 -3.684 -0.774 219 HG22 VAL 25 1HG2 VAL 25 3.545 -3.487 0.489 220 HG23 VAL 25 2HG2 VAL 25 3.885 -2.957 -1.157 221 H LYS 26 H LYS 26 3.002 1.262 -2.063 222 HA LYS 26 HA LYS 26 4.442 0.216 -4.367 223 HB2 LYS 26 2HB LYS 26 3.198 2.543 -4.118 224 HB3 LYS 26 1HB LYS 26 4.702 3.073 -3.380 225 HG2 LYS 26 2HG LYS 26 4.464 1.863 -6.160 226 HG3 LYS 26 1HG LYS 26 4.476 3.594 -5.826 227 HD2 LYS 26 2HD LYS 26 6.772 3.487 -5.023 228 HD3 LYS 26 1HD LYS 26 6.772 1.723 -5.106 229 HE2 LYS 26 2HE LYS 26 7.987 2.771 -7.007 230 HE3 LYS 26 1HE LYS 26 6.617 1.794 -7.543 231 HZ1 LYS 26 3HZ LYS 26 6.710 3.894 -8.717 232 HZ2 LYS 26 1HZ LYS 26 6.634 4.750 -7.262 233 HZ3 LYS 26 2HZ LYS 26 5.315 3.824 -7.766 234 H TRP 27 H TRP 27 6.268 -0.891 -3.889 235 HA TRP 27 HA TRP 27 7.887 -0.321 -1.570 236 HD1 TRP 27 HD TRP 27 6.242 -3.865 -3.619 237 HE1 TRP 27 1HE TRP 27 5.223 -5.187 -1.662 238 HE3 TRP 27 3HE TRP 27 8.934 -1.825 0.223 239 HZ2 TRP 27 2HZ TRP 27 5.501 -5.319 1.146 240 HZ3 TRP 27 3HZ TRP 27 8.470 -2.571 2.521 241 HH2 TRP 27 HH TRP 27 6.794 -4.288 2.972 242 HB2 TRP 27 2HB TRP 27 8.291 -2.254 -3.894 243 HB3 TRP 27 1HB TRP 27 9.365 -2.150 -2.502 244 H ARG 28 H ARG 28 9.754 0.806 -1.428 245 HA ARG 28 HA ARG 28 10.361 2.749 -3.471 246 HE ARG 28 HE ARG 28 8.800 5.842 -0.049 247 HB2 ARG 28 2HB ARG 28 11.489 2.239 -0.696 248 HB3 ARG 28 1HB ARG 28 12.046 3.560 -1.725 249 HG2 ARG 28 2HG ARG 28 9.778 4.527 -1.720 250 HG3 ARG 28 1HG ARG 28 9.199 3.192 -0.719 251 HD2 ARG 28 2HD ARG 28 10.552 3.901 1.142 252 HD3 ARG 28 1HD ARG 28 11.397 5.105 0.156 253 HH11 ARG 28 1HH1 ARG 28 10.858 5.267 2.737 254 HH12 ARG 28 2HH1 ARG 28 10.038 6.432 3.719 255 HH21 ARG 28 1HH2 ARG 28 7.783 7.368 1.197 256 HH22 ARG 28 2HH2 ARG 28 8.299 7.645 2.831 257 H GLY 29 H GLY 29 12.049 2.792 -4.820 258 HA2 GLY 29 2HA GLY 29 14.058 2.225 -5.833 259 HA3 GLY 29 1HA GLY 29 14.328 0.974 -4.631 260 H TRP 30 H TRP 30 11.659 -0.146 -5.011 261 HA TRP 30 HA TRP 30 12.145 -1.886 -7.275 262 HD1 TRP 30 HD TRP 30 11.175 -2.089 -2.838 263 HE1 TRP 30 1HE TRP 30 13.171 -3.400 -1.913 264 HE3 TRP 30 3HE TRP 30 12.741 -4.372 -7.145 265 HZ2 TRP 30 2HZ TRP 30 15.168 -5.129 -2.852 266 HZ3 TRP 30 3HZ TRP 30 14.720 -5.834 -7.042 267 HH2 TRP 30 HH TRP 30 15.908 -6.205 -4.936 268 HB2 TRP 30 2HB TRP 30 9.934 -1.958 -5.158 269 HB3 TRP 30 1HB TRP 30 10.338 -3.245 -6.297 270 H SER 31 H SER 31 10.848 -2.065 -9.031 271 HA SER 31 HA SER 31 9.400 0.217 -9.958 272 HG SER 31 HG SER 31 10.767 -3.121 -11.687 273 HB2 SER 31 2HB SER 31 9.045 -1.333 -11.987 274 HB3 SER 31 1HB SER 31 10.718 -1.008 -11.548 275 HA PRO 32 HA PRO 32 5.188 -0.496 -8.784 276 HB2 PRO 32 2HB PRO 32 3.676 -0.265 -11.103 277 HB3 PRO 32 1HB PRO 32 4.429 1.108 -10.281 278 HG2 PRO 32 2HG PRO 32 5.459 -0.503 -12.621 279 HG3 PRO 32 1HG PRO 32 5.364 1.263 -12.446 280 HD2 PRO 32 2HD PRO 32 7.672 0.005 -12.038 281 HD3 PRO 32 1HD PRO 32 7.196 1.336 -10.956 282 H LYS 33 H LYS 33 6.457 -2.749 -11.040 283 HA LYS 33 HA LYS 33 4.299 -4.619 -11.138 284 HB2 LYS 33 2HB LYS 33 5.967 -6.158 -12.086 285 HB3 LYS 33 1HB LYS 33 6.081 -4.568 -12.832 286 HG2 LYS 33 2HG LYS 33 8.017 -4.089 -11.229 287 HG3 LYS 33 1HG LYS 33 7.975 -5.800 -10.794 288 HD2 LYS 33 2HD LYS 33 8.485 -4.656 -13.570 289 HD3 LYS 33 1HD LYS 33 9.708 -5.323 -12.486 290 HE2 LYS 33 2HE LYS 33 8.602 -7.548 -12.639 291 HE3 LYS 33 1HE LYS 33 7.404 -6.859 -13.741 292 HZ1 LYS 33 3HZ LYS 33 10.320 -6.955 -14.234 293 HZ2 LYS 33 1HZ LYS 33 9.150 -6.366 -15.300 294 HZ3 LYS 33 2HZ LYS 33 9.180 -8.007 -14.899 295 H TYR 34 H TYR 34 6.978 -4.061 -8.914 296 HA TYR 34 HA TYR 34 6.765 -6.565 -7.478 297 HD1 TYR 34 2HD TYR 34 9.032 -7.697 -7.316 298 HD2 TYR 34 1HD TYR 34 9.995 -3.712 -8.528 299 HE1 TYR 34 2HE TYR 34 10.832 -8.563 -8.744 300 HE2 TYR 34 1HE TYR 34 11.795 -4.583 -9.956 301 HH TYR 34 HH TYR 34 12.119 -7.857 -10.731 302 HB2 TYR 34 2HB TYR 34 8.335 -4.016 -6.876 303 HB3 TYR 34 1HB TYR 34 8.436 -5.479 -5.903 304 H ASN 35 H ASN 35 4.924 -3.732 -7.439 305 HA ASN 35 HA ASN 35 4.355 -3.392 -4.696 306 HB2 ASN 35 2HB ASN 35 2.597 -2.770 -7.112 307 HB3 ASN 35 1HB ASN 35 2.275 -2.220 -5.467 308 HD21 ASN 35 1HD2 ASN 35 2.412 -0.351 -7.347 309 HD22 ASN 35 2HD2 ASN 35 3.874 0.559 -7.238 310 H THR 36 H THR 36 3.194 -4.583 -3.306 311 HA THR 36 HA THR 36 1.572 -6.869 -4.300 312 HB THR 36 HB THR 36 2.273 -8.013 -2.124 313 HG1 THR 36 1HG THR 36 3.103 -6.518 -0.809 314 HG21 THR 36 3HG2 THR 36 4.517 -8.676 -2.914 315 HG22 THR 36 1HG2 THR 36 4.535 -7.301 -4.022 316 HG23 THR 36 2HG2 THR 36 3.371 -8.607 -4.257 317 H TRP 37 H TRP 37 -0.241 -7.514 -2.961 318 HA TRP 37 HA TRP 37 -1.603 -5.349 -1.582 319 HD1 TRP 37 HD TRP 37 -2.385 -8.380 -4.687 320 HE1 TRP 37 1HE TRP 37 -3.458 -6.989 -6.565 321 HE3 TRP 37 3HE TRP 37 -4.190 -4.492 -1.904 322 HZ2 TRP 37 2HZ TRP 37 -4.831 -4.557 -6.844 323 HZ3 TRP 37 3HZ TRP 37 -5.357 -2.662 -3.050 324 HH2 TRP 37 HH TRP 37 -5.677 -2.700 -5.478 325 HB2 TRP 37 2HB TRP 37 -2.443 -8.248 -2.043 326 HB3 TRP 37 1HB TRP 37 -3.470 -6.999 -1.344 327 H GLU 38 H GLU 38 -0.906 -4.890 0.435 328 HA GLU 38 HA GLU 38 -0.383 -7.071 2.374 329 HB2 GLU 38 2HB GLU 38 0.372 -4.113 2.566 330 HB3 GLU 38 1HB GLU 38 0.812 -5.371 3.717 331 HG2 GLU 38 2HG GLU 38 1.807 -5.032 0.875 332 HG3 GLU 38 1HG GLU 38 2.726 -4.844 2.365 333 HA PRO 39 HA PRO 39 -4.337 -6.085 4.308 334 HB2 PRO 39 2HB PRO 39 -3.855 -7.039 6.870 335 HB3 PRO 39 1HB PRO 39 -4.219 -8.075 5.482 336 HG2 PRO 39 2HG PRO 39 -1.530 -7.348 6.648 337 HG3 PRO 39 1HG PRO 39 -2.139 -8.945 6.159 338 HD2 PRO 39 2HD PRO 39 -0.502 -7.562 4.540 339 HD3 PRO 39 1HD PRO 39 -1.856 -8.498 3.868 340 H GLU 40 H GLU 40 -5.269 -4.915 6.139 341 HA GLU 40 HA GLU 40 -4.490 -2.289 6.451 342 HB2 GLU 40 2HB GLU 40 -6.746 -3.154 6.971 343 HB3 GLU 40 1HB GLU 40 -6.109 -4.024 8.360 344 HG2 GLU 40 2HG GLU 40 -5.413 -1.627 9.210 345 HG3 GLU 40 1HG GLU 40 -6.582 -1.060 8.012 346 H GLU 41 H GLU 41 -3.901 -4.982 8.635 347 HA GLU 41 HA GLU 41 -2.676 -3.445 10.744 348 HB2 GLU 41 2HB GLU 41 -2.363 -5.745 11.784 349 HB3 GLU 41 1HB GLU 41 -4.020 -5.293 11.391 350 HG2 GLU 41 2HG GLU 41 -3.832 -6.672 9.285 351 HG3 GLU 41 1HG GLU 41 -2.244 -7.214 9.837 352 H ASN 42 H ASN 42 -1.489 -4.586 7.830 353 HA ASN 42 HA ASN 42 1.292 -4.935 8.675 354 HB2 ASN 42 2HB ASN 42 0.163 -6.262 6.805 355 HB3 ASN 42 1HB ASN 42 0.132 -4.783 5.857 356 HD21 ASN 42 1HD2 ASN 42 1.494 -7.443 5.597 357 HD22 ASN 42 2HD2 ASN 42 3.131 -7.040 5.214 358 H ILE 43 H ILE 43 -0.886 -2.488 7.575 359 HA ILE 43 HA ILE 43 1.161 -0.512 6.922 360 HB ILE 43 HB ILE 43 -1.886 -0.357 6.961 361 HG12 ILE 43 2HG1 ILE 43 -1.099 -1.794 5.160 362 HG13 ILE 43 1HG1 ILE 43 -1.652 -0.280 4.461 363 HG21 ILE 43 1HG2 ILE 43 -1.019 1.874 7.434 364 HG22 ILE 43 2HG2 ILE 43 -1.676 1.826 5.800 365 HG23 ILE 43 3HG2 ILE 43 0.071 1.787 6.045 366 HD11 ILE 43 3HD1 ILE 43 0.337 -1.031 3.357 367 HD12 ILE 43 1HD1 ILE 43 1.213 -1.118 4.885 368 HD13 ILE 43 2HD1 ILE 43 0.694 0.447 4.249 369 H LEU 44 H LEU 44 2.211 0.107 8.712 370 HA LEU 44 HA LEU 44 0.713 1.145 11.050 371 HG LEU 44 HG LEU 44 2.765 -1.409 12.904 372 HB2 LEU 44 2HB LEU 44 3.537 -0.003 10.897 373 HB3 LEU 44 1HB LEU 44 2.920 0.852 12.294 374 HD11 LEU 44 1HD1 LEU 44 0.422 -1.948 13.118 375 HD12 LEU 44 2HD1 LEU 44 0.007 -0.782 11.858 376 HD13 LEU 44 3HD1 LEU 44 0.700 -0.229 13.387 377 HD21 LEU 44 3HD2 LEU 44 3.270 -2.402 10.739 378 HD22 LEU 44 1HD2 LEU 44 1.618 -2.106 10.190 379 HD23 LEU 44 2HD2 LEU 44 1.926 -3.230 11.520 380 H ASP 45 H ASP 45 0.562 2.922 9.255 381 HA ASP 45 HA ASP 45 2.262 5.074 10.089 382 HB2 ASP 45 2HB ASP 45 3.774 4.092 8.442 383 HB3 ASP 45 1HB ASP 45 2.495 4.060 7.227 384 HA PRO 46 HA PRO 46 -1.780 6.931 9.185 385 HB2 PRO 46 2HB PRO 46 -1.117 9.542 9.806 386 HB3 PRO 46 1HB PRO 46 -1.489 8.310 11.021 387 HG2 PRO 46 2HG PRO 46 1.217 9.217 10.011 388 HG3 PRO 46 1HG PRO 46 0.678 8.981 11.691 389 HD2 PRO 46 2HD PRO 46 2.136 7.106 10.451 390 HD3 PRO 46 1HD PRO 46 0.801 6.633 11.531 391 H ARG 47 H ARG 47 1.263 8.113 7.805 392 HA ARG 47 HA ARG 47 0.224 9.907 5.865 393 HE ARG 47 HE ARG 47 4.538 11.621 5.214 394 HB2 ARG 47 2HB ARG 47 2.841 8.361 5.744 395 HB3 ARG 47 1HB ARG 47 2.447 9.804 4.813 396 HG2 ARG 47 2HG ARG 47 2.470 11.173 6.789 397 HG3 ARG 47 1HG ARG 47 2.583 9.758 7.841 398 HD2 ARG 47 2HD ARG 47 4.750 10.932 7.600 399 HD3 ARG 47 1HD ARG 47 4.826 9.266 7.013 400 HH11 ARG 47 1HH1 ARG 47 6.035 8.524 5.908 401 HH12 ARG 47 2HH1 ARG 47 7.022 8.558 4.491 402 HH21 ARG 47 1HH2 ARG 47 5.818 11.612 3.337 403 HH22 ARG 47 2HH2 ARG 47 6.889 10.286 3.038 404 H LEU 48 H LEU 48 0.943 6.422 5.741 405 HA LEU 48 HA LEU 48 0.321 5.987 2.997 406 HG LEU 48 HG LEU 48 2.345 4.683 5.188 407 HB2 LEU 48 2HB LEU 48 -0.016 4.060 5.334 408 HB3 LEU 48 1HB LEU 48 -0.038 3.610 3.631 409 HD11 LEU 48 1HD1 LEU 48 1.886 1.933 4.009 410 HD12 LEU 48 2HD1 LEU 48 1.860 2.364 5.723 411 HD13 LEU 48 3HD1 LEU 48 3.358 2.496 4.808 412 HD21 LEU 48 3HD2 LEU 48 2.191 3.957 2.249 413 HD22 LEU 48 1HD2 LEU 48 3.669 4.334 3.140 414 HD23 LEU 48 2HD2 LEU 48 2.433 5.568 2.931 415 H LEU 49 H LEU 49 -1.657 5.972 5.947 416 HA LEU 49 HA LEU 49 -4.144 5.281 4.743 417 HG LEU 49 HG LEU 49 -2.622 4.571 7.494 418 HB2 LEU 49 2HB LEU 49 -3.630 6.824 7.315 419 HB3 LEU 49 1HB LEU 49 -5.175 6.117 6.848 420 HD11 LEU 49 1HD1 LEU 49 -3.821 3.806 9.495 421 HD12 LEU 49 2HD1 LEU 49 -5.184 4.858 9.098 422 HD13 LEU 49 3HD1 LEU 49 -3.608 5.555 9.483 423 HD21 LEU 49 3HD2 LEU 49 -5.376 3.494 6.776 424 HD22 LEU 49 1HD2 LEU 49 -3.997 2.532 7.317 425 HD23 LEU 49 2HD2 LEU 49 -3.919 3.392 5.784 426 H ILE 50 H ILE 50 -2.389 8.336 4.998 427 HA ILE 50 HA ILE 50 -4.557 10.062 4.253 428 HB ILE 50 HB ILE 50 -1.576 10.545 3.756 429 HG12 ILE 50 2HG1 ILE 50 -1.890 10.206 6.140 430 HG13 ILE 50 1HG1 ILE 50 -1.631 11.918 5.863 431 HG21 ILE 50 1HG2 ILE 50 -2.978 12.032 2.391 432 HG22 ILE 50 2HG2 ILE 50 -2.162 12.948 3.655 433 HG23 ILE 50 3HG2 ILE 50 -3.872 12.550 3.826 434 HD11 ILE 50 3HD1 ILE 50 -3.312 11.557 7.539 435 HD12 ILE 50 1HD1 ILE 50 -4.268 10.572 6.432 436 HD13 ILE 50 2HD1 ILE 50 -4.046 12.297 6.115 437 H ALA 51 H ALA 51 -2.015 8.323 2.447 438 HA ALA 51 HA ALA 51 -2.680 9.170 -0.171 439 HB1 ALA 51 1HB ALA 51 -1.411 7.203 -0.954 440 HB2 ALA 51 2HB ALA 51 -1.437 6.526 0.678 441 HB3 ALA 51 3HB ALA 51 -0.560 8.023 0.356 442 H PHE 52 H PHE 52 -3.963 6.550 1.829 443 HA PHE 52 HA PHE 52 -5.770 5.334 0.032 444 HD1 PHE 52 1HD PHE 52 -8.060 3.661 1.024 445 HD2 PHE 52 2HD PHE 52 -7.143 5.998 4.485 446 HE1 PHE 52 1HE PHE 52 -10.359 3.388 1.837 447 HE2 PHE 52 2HE PHE 52 -9.447 5.703 5.291 448 HZ PHE 52 HZ PHE 52 -11.057 4.404 3.961 449 HB2 PHE 52 2HB PHE 52 -5.581 4.061 1.969 450 HB3 PHE 52 1HB PHE 52 -5.404 5.465 2.999 451 H GLN 53 H GLN 53 -6.183 8.123 2.218 452 HA GLN 53 HA GLN 53 -8.919 8.688 1.627 453 HB2 GLN 53 2HB GLN 53 -6.747 10.574 2.659 454 HB3 GLN 53 1HB GLN 53 -8.485 10.867 2.738 455 HG2 GLN 53 2HG GLN 53 -8.801 9.090 4.308 456 HG3 GLN 53 1HG GLN 53 -7.154 8.508 4.086 457 HE21 GLN 53 1HE2 GLN 53 -6.576 8.690 6.242 458 HE22 GLN 53 2HE2 GLN 53 -6.413 10.205 7.056 459 H ASN 54 H ASN 54 -5.872 9.663 0.178 460 HA ASN 54 HA ASN 54 -6.866 11.732 -1.557 461 HB2 ASN 54 2HB ASN 54 -4.245 10.169 -1.689 462 HB3 ASN 54 1HB ASN 54 -4.603 11.631 -2.607 463 HD21 ASN 54 1HD2 ASN 54 -2.425 11.200 -0.780 464 HD22 ASN 54 2HD2 ASN 54 -2.589 12.354 0.493 465 H ARG 55 H ARG 55 -6.414 8.260 -1.763 466 HA ARG 55 HA ARG 55 -6.719 7.903 -4.569 467 HE ARG 55 HE ARG 55 -7.711 3.616 -6.328 468 HB2 ARG 55 2HB ARG 55 -5.782 6.220 -2.878 469 HB3 ARG 55 1HB ARG 55 -7.432 5.899 -2.366 470 HG2 ARG 55 2HG ARG 55 -6.564 5.524 -5.251 471 HG3 ARG 55 1HG ARG 55 -6.274 4.272 -4.048 472 HD2 ARG 55 2HD ARG 55 -8.543 3.764 -3.848 473 HD3 ARG 55 1HD ARG 55 -9.065 5.354 -4.399 474 HH11 ARG 55 1HH1 ARG 55 -10.764 4.949 -5.236 475 HH12 ARG 55 2HH1 ARG 55 -11.550 4.693 -6.756 476 HH21 ARG 55 1HH2 ARG 55 -8.753 3.338 -8.328 477 HH22 ARG 55 2HH2 ARG 55 -10.412 3.798 -8.502 478 H GLU 56 H GLU 56 -8.996 8.108 -1.865 479 HA GLU 56 HA GLU 56 -11.352 7.705 -3.553 480 HB2 GLU 56 2HB GLU 56 -11.133 8.445 -0.603 481 HB3 GLU 56 1HB GLU 56 -12.614 7.971 -1.442 482 HG2 GLU 56 2HG GLU 56 -11.542 5.748 -1.920 483 HG3 GLU 56 1HG GLU 56 -10.181 6.234 -0.911 484 H ARG 57 H ARG 57 -9.370 10.322 -2.643 485 HA ARG 57 HA ARG 57 -11.346 12.425 -2.857 486 HE ARG 57 HE ARG 57 -10.348 16.827 -2.202 487 HB2 ARG 57 2HB ARG 57 -9.177 12.532 -1.482 488 HB3 ARG 57 1HB ARG 57 -8.312 12.702 -3.000 489 HG2 ARG 57 2HG ARG 57 -8.601 14.879 -1.957 490 HG3 ARG 57 1HG ARG 57 -9.537 14.813 -3.455 491 HD2 ARG 57 2HD ARG 57 -11.581 14.340 -2.126 492 HD3 ARG 57 1HD ARG 57 -10.630 14.469 -0.641 493 HH11 ARG 57 1HH1 ARG 57 -12.667 15.232 -0.094 494 HH12 ARG 57 2HH1 ARG 57 -13.474 16.708 0.322 495 HH21 ARG 57 1HH2 ARG 57 -11.405 18.747 -1.627 496 HH22 ARG 57 2HH2 ARG 57 -12.759 18.694 -0.541 497 H GLN 58 H GLN 58 -9.480 10.545 -5.054 498 HA GLN 58 HA GLN 58 -9.029 12.194 -7.260 499 HB2 GLN 58 2HB GLN 58 -9.742 9.228 -7.192 500 HB3 GLN 58 1HB GLN 58 -9.139 10.054 -8.626 501 HG2 GLN 58 2HG GLN 58 -7.624 9.766 -6.012 502 HG3 GLN 58 1HG GLN 58 -7.403 8.745 -7.431 503 HE21 GLN 58 1HE2 GLN 58 -6.377 9.596 -9.261 504 HE22 GLN 58 2HE2 GLN 58 -5.458 11.059 -9.207 505 H GLU 59 H GLU 59 -11.907 10.250 -6.496 506 HA GLU 59 HA GLU 59 -13.482 11.642 -8.562 507 HB2 GLU 59 2HB GLU 59 -14.142 9.176 -6.886 508 HB3 GLU 59 1HB GLU 59 -15.201 9.883 -8.107 509 HG2 GLU 59 2HG GLU 59 -12.499 8.578 -8.559 510 HG3 GLU 59 1HG GLU 59 -14.073 7.926 -9.004 511 H GLN 60 H GLN 60 -14.883 13.157 -8.015 512 HA GLN 60 HA GLN 60 -15.288 13.948 -5.241 513 HB2 GLN 60 2HB GLN 60 -16.113 15.217 -7.892 514 HB3 GLN 60 1HB GLN 60 -16.593 15.869 -6.337 515 HG2 GLN 60 2HG GLN 60 -14.741 17.141 -7.117 516 HG3 GLN 60 1HG GLN 60 -14.165 16.158 -5.769 517 HE21 GLN 60 1HE2 GLN 60 -12.693 14.455 -6.192 518 HE22 GLN 60 2HE2 GLN 60 -11.817 14.353 -7.676 Start of MODEL 9 1 H1 GLY 1 1HT GLY 1 23.381 0.063 7.251 2 H2 GLY 1 2HT GLY 1 23.258 1.681 6.790 3 H3 GLY 1 3HT GLY 1 24.245 0.623 5.916 4 HA2 GLY 1 1HA GLY 1 21.300 0.460 6.125 5 HA3 GLY 1 2HA GLY 1 22.196 1.056 4.730 6 H SER 2 H SER 2 20.649 -0.825 3.963 7 HA SER 2 HA SER 2 22.301 -3.251 3.646 8 HG SER 2 HG SER 2 19.030 -2.599 5.384 9 HB2 SER 2 2HB SER 2 20.160 -4.624 3.856 10 HB3 SER 2 1HB SER 2 20.717 -3.899 5.363 11 H GLU 3 H GLU 3 22.082 -4.230 1.633 12 HA GLU 3 HA GLU 3 21.648 -2.530 -0.561 13 HB2 GLU 3 2HB GLU 3 22.008 -5.551 -0.406 14 HB3 GLU 3 1HB GLU 3 22.012 -4.651 -1.923 15 HG2 GLU 3 2HG GLU 3 24.007 -3.434 -1.269 16 HG3 GLU 3 1HG GLU 3 23.955 -4.128 0.355 17 H HIS 4 H HIS 4 19.644 -5.210 0.667 18 HA HIS 4 HA HIS 4 17.643 -4.885 -1.450 19 HD1 HIS 4 1HD HIS 4 19.291 -8.469 1.088 20 HD2 HIS 4 2HD HIS 4 18.806 -7.130 -2.819 21 HE1 HIS 4 1HE HIS 4 21.016 -9.698 -0.260 22 HE2 HIS 4 2HE HIS 4 20.761 -8.817 -2.604 23 HB2 HIS 4 2HB HIS 4 17.500 -6.792 0.930 24 HB3 HIS 4 1HB HIS 4 16.644 -6.913 -0.605 25 H VAL 5 H VAL 5 16.965 -2.764 -0.945 26 HA VAL 5 HA VAL 5 15.976 -2.043 1.661 27 HB VAL 5 HB VAL 5 15.311 0.119 0.659 28 HG11 VAL 5 1HG1 VAL 5 17.570 0.925 0.023 29 HG12 VAL 5 2HG1 VAL 5 18.119 -0.744 -0.163 30 HG13 VAL 5 3HG1 VAL 5 17.629 -0.146 1.424 31 HG21 VAL 5 3HG2 VAL 5 16.218 -1.021 -2.026 32 HG22 VAL 5 1HG2 VAL 5 15.745 0.657 -1.726 33 HG23 VAL 5 2HG2 VAL 5 14.556 -0.639 -1.572 34 H PHE 6 H PHE 6 13.930 -2.060 2.409 35 HA PHE 6 HA PHE 6 11.638 -2.349 0.592 36 HD1 PHE 6 2HD PHE 6 10.260 -4.620 -0.162 37 HD2 PHE 6 1HD PHE 6 13.725 -5.720 2.095 38 HE1 PHE 6 2HE PHE 6 10.785 -6.372 -1.805 39 HE2 PHE 6 1HE PHE 6 14.244 -7.469 0.443 40 HZ PHE 6 HZ PHE 6 12.777 -7.793 -1.508 41 HB2 PHE 6 2HB PHE 6 12.170 -4.137 3.013 42 HB3 PHE 6 1HB PHE 6 10.576 -3.958 2.292 43 H ALA 7 H ALA 7 10.758 -0.452 0.909 44 HA ALA 7 HA ALA 7 9.674 0.257 3.527 45 HB1 ALA 7 1HB ALA 7 11.316 2.218 1.847 46 HB2 ALA 7 2HB ALA 7 11.809 1.517 3.390 47 HB3 ALA 7 3HB ALA 7 10.427 2.608 3.326 48 H VAL 8 H VAL 8 7.593 0.770 3.244 49 HA VAL 8 HA VAL 8 6.412 0.954 0.634 50 HB VAL 8 HB VAL 8 5.091 1.502 3.323 51 HG11 VAL 8 1HG1 VAL 8 2.956 0.965 2.158 52 HG12 VAL 8 2HG1 VAL 8 3.832 0.782 0.637 53 HG13 VAL 8 3HG1 VAL 8 3.757 2.359 1.424 54 HG21 VAL 8 3HG2 VAL 8 5.260 -1.145 1.830 55 HG22 VAL 8 1HG2 VAL 8 4.326 -0.852 3.302 56 HG23 VAL 8 2HG2 VAL 8 6.090 -0.750 3.338 57 H GLU 9 H GLU 9 5.309 2.756 -0.228 58 HA GLU 9 HA GLU 9 6.566 5.358 0.453 59 HB2 GLU 9 2HB GLU 9 7.396 4.201 -1.629 60 HB3 GLU 9 1HB GLU 9 5.769 4.269 -2.289 61 HG2 GLU 9 2HG GLU 9 5.882 6.755 -2.236 62 HG3 GLU 9 1HG GLU 9 7.524 6.645 -1.605 63 H SER 10 H SER 10 3.743 3.667 -0.823 64 HA SER 10 HA SER 10 1.852 5.665 -0.003 65 HG SER 10 HG SER 10 0.411 5.454 -3.082 66 HB2 SER 10 2HB SER 10 2.613 6.815 -2.010 67 HB3 SER 10 1HB SER 10 2.553 5.326 -2.952 68 H ILE 11 H ILE 11 -0.339 4.934 -0.292 69 HA ILE 11 HA ILE 11 -0.755 2.105 -0.959 70 HB ILE 11 HB ILE 11 -2.589 4.243 0.220 71 HG12 ILE 11 2HG1 ILE 11 -1.501 1.627 1.363 72 HG13 ILE 11 1HG1 ILE 11 -0.909 3.238 1.764 73 HG21 ILE 11 1HG2 ILE 11 -4.361 2.515 0.419 74 HG22 ILE 11 2HG2 ILE 11 -3.366 1.386 -0.500 75 HG23 ILE 11 3HG2 ILE 11 -3.973 2.853 -1.273 76 HD11 ILE 11 3HD1 ILE 11 -2.314 2.330 3.512 77 HD12 ILE 11 1HD1 ILE 11 -3.658 2.154 2.387 78 HD13 ILE 11 2HD1 ILE 11 -3.056 3.763 2.808 79 H GLU 12 H GLU 12 -1.185 1.589 -2.966 80 HA GLU 12 HA GLU 12 -1.651 3.571 -5.027 81 HB2 GLU 12 2HB GLU 12 -0.997 0.598 -5.207 82 HB3 GLU 12 1HB GLU 12 -1.131 1.687 -6.589 83 HG2 GLU 12 2HG GLU 12 0.918 1.842 -4.357 84 HG3 GLU 12 1HG GLU 12 1.208 1.329 -6.023 85 H LYS 13 H LYS 13 -3.124 0.580 -3.842 86 HA LYS 13 HA LYS 13 -5.710 1.371 -5.016 87 HB2 LYS 13 2HB LYS 13 -4.451 -1.404 -5.167 88 HB3 LYS 13 1HB LYS 13 -6.135 -1.058 -5.552 89 HG2 LYS 13 2HG LYS 13 -5.410 0.385 -7.426 90 HG3 LYS 13 1HG LYS 13 -3.719 0.034 -7.042 91 HD2 LYS 13 2HD LYS 13 -4.106 -2.366 -7.517 92 HD3 LYS 13 1HD LYS 13 -5.808 -2.031 -7.862 93 HE2 LYS 13 2HE LYS 13 -3.450 -0.922 -9.432 94 HE3 LYS 13 1HE LYS 13 -4.471 -2.274 -9.928 95 HZ1 LYS 13 3HZ LYS 13 -6.369 -0.769 -9.965 96 HZ2 LYS 13 1HZ LYS 13 -5.145 -0.223 -10.995 97 HZ3 LYS 13 2HZ LYS 13 -5.382 0.523 -9.498 98 H LYS 14 H LYS 14 -7.515 0.436 -3.958 99 HA LYS 14 HA LYS 14 -7.126 -0.559 -1.198 100 HB2 LYS 14 2HB LYS 14 -7.496 1.978 -1.351 101 HB3 LYS 14 1HB LYS 14 -9.089 1.644 -2.008 102 HG2 LYS 14 2HG LYS 14 -8.146 0.797 0.751 103 HG3 LYS 14 1HG LYS 14 -9.040 2.272 0.410 104 HD2 LYS 14 2HD LYS 14 -10.893 0.719 -0.526 105 HD3 LYS 14 1HD LYS 14 -10.015 -0.603 0.249 106 HE2 LYS 14 2HE LYS 14 -11.773 0.139 1.744 107 HE3 LYS 14 1HE LYS 14 -10.224 0.633 2.436 108 HZ1 LYS 14 3HZ LYS 14 -10.599 2.848 1.422 109 HZ2 LYS 14 1HZ LYS 14 -11.762 2.441 2.577 110 HZ3 LYS 14 2HZ LYS 14 -12.135 2.342 0.934 111 H ARG 15 H ARG 15 -8.426 -2.297 -0.820 112 HA ARG 15 HA ARG 15 -11.073 -2.469 -1.954 113 HE ARG 15 HE ARG 15 -9.005 -7.142 -3.024 114 HB2 ARG 15 2HB ARG 15 -10.598 -4.874 -2.872 115 HB3 ARG 15 1HB ARG 15 -10.152 -3.485 -3.849 116 HG2 ARG 15 2HG ARG 15 -8.368 -5.048 -4.022 117 HG3 ARG 15 1HG ARG 15 -7.783 -3.725 -3.019 118 HD2 ARG 15 2HD ARG 15 -7.002 -5.799 -2.085 119 HD3 ARG 15 1HD ARG 15 -8.236 -5.154 -1.000 120 HH11 ARG 15 1HH1 ARG 15 -8.671 -6.357 0.379 121 HH12 ARG 15 2HH1 ARG 15 -9.343 -7.862 0.911 122 HH21 ARG 15 1HH2 ARG 15 -9.926 -9.043 -2.344 123 HH22 ARG 15 2HH2 ARG 15 -10.067 -9.391 -0.657 124 H ILE 16 H ILE 16 -12.382 -4.043 -1.042 125 HA ILE 16 HA ILE 16 -11.421 -5.498 1.334 126 HB ILE 16 HB ILE 16 -13.892 -3.686 1.268 127 HG12 ILE 16 2HG1 ILE 16 -11.488 -3.748 3.114 128 HG13 ILE 16 1HG1 ILE 16 -11.720 -2.572 1.824 129 HG21 ILE 16 1HG2 ILE 16 -14.439 -4.529 3.546 130 HG22 ILE 16 2HG2 ILE 16 -13.129 -5.706 3.429 131 HG23 ILE 16 3HG2 ILE 16 -14.517 -5.824 2.345 132 HD11 ILE 16 3HD1 ILE 16 -12.210 -1.583 3.956 133 HD12 ILE 16 1HD1 ILE 16 -13.364 -2.859 4.340 134 HD13 ILE 16 2HD1 ILE 16 -13.706 -1.718 3.034 135 H ARG 17 H ARG 17 -12.068 -7.532 1.298 136 HA ARG 17 HA ARG 17 -14.614 -8.340 0.221 137 HE ARG 17 HE ARG 17 -15.297 -11.475 -3.764 138 HB2 ARG 17 2HB ARG 17 -13.116 -8.296 -1.811 139 HB3 ARG 17 1HB ARG 17 -12.076 -9.485 -1.035 140 HG2 ARG 17 2HG ARG 17 -13.957 -11.110 -1.033 141 HG3 ARG 17 1HG ARG 17 -14.979 -9.915 -1.837 142 HD2 ARG 17 2HD ARG 17 -13.350 -9.897 -3.753 143 HD3 ARG 17 1HD ARG 17 -12.454 -11.199 -2.950 144 HH11 ARG 17 1HH1 ARG 17 -12.050 -12.814 -3.666 145 HH12 ARG 17 2HH1 ARG 17 -12.498 -14.248 -4.522 146 HH21 ARG 17 1HH2 ARG 17 -15.860 -13.356 -4.874 147 HH22 ARG 17 2HH2 ARG 17 -14.654 -14.552 -5.211 148 H LYS 18 H LYS 18 -15.332 -10.252 1.133 149 HA LYS 18 HA LYS 18 -15.546 -11.951 2.613 150 HB2 LYS 18 2HB LYS 18 -13.699 -12.881 1.115 151 HB3 LYS 18 1HB LYS 18 -12.532 -12.337 2.308 152 HG2 LYS 18 2HG LYS 18 -12.935 -14.726 2.520 153 HG3 LYS 18 1HG LYS 18 -13.488 -13.884 3.968 154 HD2 LYS 18 2HD LYS 18 -15.083 -15.637 3.314 155 HD3 LYS 18 1HD LYS 18 -15.826 -14.045 3.181 156 HE2 LYS 18 2HE LYS 18 -16.443 -15.466 1.283 157 HE3 LYS 18 1HE LYS 18 -15.484 -14.094 0.731 158 HZ1 LYS 18 3HZ LYS 18 -14.761 -16.098 -0.348 159 HZ2 LYS 18 1HZ LYS 18 -14.532 -16.877 1.136 160 HZ3 LYS 18 2HZ LYS 18 -13.540 -15.580 0.699 161 H GLY 19 H GLY 19 -14.973 -9.215 3.538 162 HA2 GLY 19 2HA GLY 19 -14.787 -8.091 5.534 163 HA3 GLY 19 1HA GLY 19 -14.625 -9.641 6.344 164 H ARG 20 H ARG 20 -12.472 -8.716 3.750 165 HA ARG 20 HA ARG 20 -10.238 -8.310 5.662 166 HE ARG 20 HE ARG 20 -8.958 -12.810 6.938 167 HB2 ARG 20 2HB ARG 20 -10.100 -9.704 2.944 168 HB3 ARG 20 1HB ARG 20 -8.724 -9.361 3.994 169 HG2 ARG 20 2HG ARG 20 -11.030 -11.235 4.625 170 HG3 ARG 20 1HG ARG 20 -9.400 -11.713 4.137 171 HD2 ARG 20 2HD ARG 20 -8.482 -10.716 6.189 172 HD3 ARG 20 1HD ARG 20 -10.094 -10.185 6.679 173 HH11 ARG 20 1HH1 ARG 20 -12.035 -11.123 6.623 174 HH12 ARG 20 2HH1 ARG 20 -12.930 -12.372 7.418 175 HH21 ARG 20 1HH2 ARG 20 -10.160 -14.421 7.983 176 HH22 ARG 20 2HH2 ARG 20 -11.868 -14.219 8.199 177 H VAL 21 H VAL 21 -9.600 -6.278 5.564 178 HA VAL 21 HA VAL 21 -9.764 -4.688 3.108 179 HB VAL 21 HB VAL 21 -10.446 -3.509 5.103 180 HG11 VAL 21 1HG1 VAL 21 -9.298 -4.804 6.823 181 HG12 VAL 21 2HG1 VAL 21 -8.969 -3.084 7.040 182 HG13 VAL 21 3HG1 VAL 21 -7.740 -4.134 6.329 183 HG21 VAL 21 3HG2 VAL 21 -8.942 -1.519 5.036 184 HG22 VAL 21 1HG2 VAL 21 -9.293 -2.141 3.422 185 HG23 VAL 21 2HG2 VAL 21 -7.730 -2.471 4.174 186 H GLU 22 H GLU 22 -8.006 -4.088 1.900 187 HA GLU 22 HA GLU 22 -5.302 -4.890 2.636 188 HB2 GLU 22 2HB GLU 22 -6.284 -6.993 1.841 189 HB3 GLU 22 1HB GLU 22 -6.864 -6.214 0.376 190 HG2 GLU 22 2HG GLU 22 -4.520 -5.854 -0.337 191 HG3 GLU 22 1HG GLU 22 -3.969 -6.683 1.125 192 H TYR 23 H TYR 23 -3.752 -3.897 1.391 193 HA TYR 23 HA TYR 23 -4.624 -1.816 -0.523 194 HD1 TYR 23 2HD TYR 23 -5.940 -0.332 0.679 195 HD2 TYR 23 1HD TYR 23 -3.055 -0.846 3.780 196 HE1 TYR 23 2HE TYR 23 -7.558 0.466 2.347 197 HE2 TYR 23 1HE TYR 23 -4.675 -0.049 5.432 198 HH TYR 23 HH TYR 23 -6.656 1.223 5.594 199 HB2 TYR 23 2HB TYR 23 -2.474 -1.511 1.620 200 HB3 TYR 23 1HB TYR 23 -3.018 -0.266 0.501 201 H LEU 24 H LEU 24 -3.176 -1.410 -2.213 202 HA LEU 24 HA LEU 24 -0.982 -3.309 -2.658 203 HG LEU 24 HG LEU 24 0.269 -1.891 -5.110 204 HB2 LEU 24 2HB LEU 24 -2.606 -2.695 -4.494 205 HB3 LEU 24 1HB LEU 24 -1.989 -1.050 -4.439 206 HD11 LEU 24 1HD1 LEU 24 0.137 -4.159 -4.215 207 HD12 LEU 24 2HD1 LEU 24 0.539 -4.185 -5.929 208 HD13 LEU 24 3HD1 LEU 24 -1.101 -4.581 -5.404 209 HD21 LEU 24 3HD2 LEU 24 -0.265 -2.353 -7.453 210 HD22 LEU 24 1HD2 LEU 24 -1.281 -1.055 -6.825 211 HD23 LEU 24 2HD2 LEU 24 -1.947 -2.679 -7.027 212 H VAL 25 H VAL 25 0.935 -2.806 -1.738 213 HA VAL 25 HA VAL 25 1.522 -0.089 -0.868 214 HB VAL 25 HB VAL 25 3.350 -1.068 0.437 215 HG11 VAL 25 1HG1 VAL 25 2.002 -2.514 1.957 216 HG12 VAL 25 2HG1 VAL 25 0.769 -2.685 0.704 217 HG13 VAL 25 3HG1 VAL 25 1.086 -1.103 1.422 218 HG21 VAL 25 3HG2 VAL 25 3.759 -3.519 0.533 219 HG22 VAL 25 1HG2 VAL 25 4.150 -2.837 -1.045 220 HG23 VAL 25 2HG2 VAL 25 2.659 -3.747 -0.828 221 H LYS 26 H LYS 26 2.657 1.271 -2.087 222 HA LYS 26 HA LYS 26 4.280 0.488 -4.320 223 HB2 LYS 26 2HB LYS 26 2.958 2.771 -3.858 224 HB3 LYS 26 1HB LYS 26 4.469 3.261 -3.110 225 HG2 LYS 26 2HG LYS 26 4.085 2.392 -6.007 226 HG3 LYS 26 1HG LYS 26 4.300 4.046 -5.435 227 HD2 LYS 26 2HD LYS 26 6.606 3.471 -4.683 228 HD3 LYS 26 1HD LYS 26 6.376 1.818 -5.263 229 HE2 LYS 26 2HE LYS 26 7.675 3.092 -6.889 230 HE3 LYS 26 1HE LYS 26 6.100 2.696 -7.581 231 HZ1 LYS 26 3HZ LYS 26 5.351 4.927 -7.078 232 HZ2 LYS 26 1HZ LYS 26 6.752 4.983 -8.025 233 HZ3 LYS 26 2HZ LYS 26 6.838 5.308 -6.368 234 H TRP 27 H TRP 27 6.178 -0.551 -3.889 235 HA TRP 27 HA TRP 27 7.817 0.039 -1.590 236 HD1 TRP 27 HD TRP 27 6.521 -3.644 -3.741 237 HE1 TRP 27 1HE TRP 27 5.662 -5.089 -1.792 238 HE3 TRP 27 3HE TRP 27 8.930 -1.323 0.107 239 HZ2 TRP 27 2HZ TRP 27 5.953 -5.208 0.992 240 HZ3 TRP 27 3HZ TRP 27 8.563 -2.136 2.390 241 HH2 TRP 27 HH TRP 27 7.113 -4.047 2.824 242 HB2 TRP 27 2HB TRP 27 8.277 -1.767 -4.001 243 HB3 TRP 27 1HB TRP 27 9.406 -1.623 -2.659 244 H ARG 28 H ARG 28 9.547 1.327 -1.454 245 HA ARG 28 HA ARG 28 10.072 3.327 -3.446 246 HE ARG 28 HE ARG 28 8.372 4.979 1.170 247 HB2 ARG 28 2HB ARG 28 11.544 2.731 -0.839 248 HB3 ARG 28 1HB ARG 28 11.738 4.190 -1.814 249 HG2 ARG 28 2HG ARG 28 9.400 4.810 -1.368 250 HG3 ARG 28 1HG ARG 28 9.172 3.336 -0.423 251 HD2 ARG 28 2HD ARG 28 10.953 4.144 1.148 252 HD3 ARG 28 1HD ARG 28 11.015 5.657 0.234 253 HH11 ARG 28 1HH1 ARG 28 11.369 6.560 2.052 254 HH12 ARG 28 2HH1 ARG 28 10.631 7.534 3.277 255 HH21 ARG 28 1HH2 ARG 28 7.410 6.245 2.762 256 HH22 ARG 28 2HH2 ARG 28 8.374 7.338 3.696 257 H GLY 29 H GLY 29 11.521 3.208 -5.043 258 HA2 GLY 29 2HA GLY 29 13.369 2.662 -6.295 259 HA3 GLY 29 1HA GLY 29 14.034 1.792 -4.921 260 H TRP 30 H TRP 30 10.800 1.050 -5.942 261 HA TRP 30 HA TRP 30 11.659 -1.261 -7.571 262 HD1 TRP 30 HD TRP 30 11.528 -0.833 -3.508 263 HE1 TRP 30 1HE TRP 30 13.183 -2.471 -2.444 264 HE3 TRP 30 3HE TRP 30 11.199 -4.654 -6.879 265 HZ2 TRP 30 2HZ TRP 30 14.212 -5.042 -2.924 266 HZ3 TRP 30 3HZ TRP 30 12.540 -6.674 -6.508 267 HH2 TRP 30 HH TRP 30 14.022 -6.871 -4.566 268 HB2 TRP 30 2HB TRP 30 9.527 -1.317 -5.382 269 HB3 TRP 30 1HB TRP 30 9.835 -2.625 -6.514 270 H SER 31 H SER 31 10.278 -1.765 -9.261 271 HA SER 31 HA SER 31 8.601 0.275 -10.308 272 HG SER 31 HG SER 31 10.158 -0.390 -12.349 273 HB2 SER 31 2HB SER 31 8.894 -2.631 -11.181 274 HB3 SER 31 1HB SER 31 8.172 -1.341 -12.146 275 HA PRO 32 HA PRO 32 4.377 -0.495 -8.779 276 HB2 PRO 32 2HB PRO 32 3.813 -0.793 -11.745 277 HB3 PRO 32 1HB PRO 32 2.866 0.050 -10.505 278 HG2 PRO 32 2HG PRO 32 4.468 1.444 -12.096 279 HG3 PRO 32 1HG PRO 32 4.390 1.832 -10.366 280 HD2 PRO 32 2HD PRO 32 6.561 0.454 -11.901 281 HD3 PRO 32 1HD PRO 32 6.670 1.484 -10.454 282 H LYS 33 H LYS 33 5.754 -2.739 -11.134 283 HA LYS 33 HA LYS 33 3.832 -4.833 -10.896 284 HB2 LYS 33 2HB LYS 33 5.450 -6.195 -12.145 285 HB3 LYS 33 1HB LYS 33 5.287 -4.593 -12.858 286 HG2 LYS 33 2HG LYS 33 7.418 -3.918 -11.714 287 HG3 LYS 33 1HG LYS 33 7.583 -5.568 -11.120 288 HD2 LYS 33 2HD LYS 33 8.994 -5.257 -13.081 289 HD3 LYS 33 1HD LYS 33 7.695 -6.390 -13.465 290 HE2 LYS 33 2HE LYS 33 6.473 -4.630 -14.651 291 HE3 LYS 33 1HE LYS 33 7.687 -3.435 -14.186 292 HZ1 LYS 33 3HZ LYS 33 8.027 -4.181 -16.426 293 HZ2 LYS 33 1HZ LYS 33 8.143 -5.790 -15.923 294 HZ3 LYS 33 2HZ LYS 33 9.320 -4.672 -15.455 295 H TYR 34 H TYR 34 6.599 -3.967 -8.971 296 HA TYR 34 HA TYR 34 6.817 -6.554 -7.605 297 HD1 TYR 34 1HD TYR 34 8.928 -7.527 -8.241 298 HD2 TYR 34 2HD TYR 34 9.779 -3.413 -8.999 299 HE1 TYR 34 1HE TYR 34 10.358 -8.170 -10.123 300 HE2 TYR 34 2HE TYR 34 11.214 -4.055 -10.890 301 HH TYR 34 HH TYR 34 11.259 -7.288 -12.115 302 HB2 TYR 34 2HB TYR 34 8.379 -3.958 -7.184 303 HB3 TYR 34 1HB TYR 34 8.741 -5.502 -6.415 304 H ASN 35 H ASN 35 4.922 -3.806 -7.312 305 HA ASN 35 HA ASN 35 4.783 -3.427 -4.510 306 HB2 ASN 35 2HB ASN 35 2.728 -2.844 -6.680 307 HB3 ASN 35 1HB ASN 35 2.574 -2.316 -5.005 308 HD21 ASN 35 1HD2 ASN 35 2.504 -0.492 -6.997 309 HD22 ASN 35 2HD2 ASN 35 3.934 0.474 -6.993 310 H THR 36 H THR 36 3.793 -4.584 -2.951 311 HA THR 36 HA THR 36 2.395 -7.065 -3.728 312 HB THR 36 HB THR 36 2.967 -7.810 -1.369 313 HG1 THR 36 1HG THR 36 3.398 -6.000 -0.225 314 HG21 THR 36 3HG2 THR 36 5.314 -7.028 -3.125 315 HG22 THR 36 1HG2 THR 36 4.360 -8.506 -3.275 316 HG23 THR 36 2HG2 THR 36 5.357 -8.239 -1.840 317 H TRP 37 H TRP 37 0.509 -7.710 -2.724 318 HA TRP 37 HA TRP 37 -1.223 -5.651 -1.611 319 HD1 TRP 37 HD TRP 37 -1.278 -8.148 -5.035 320 HE1 TRP 37 1HE TRP 37 -2.505 -6.729 -6.789 321 HE3 TRP 37 3HE TRP 37 -4.116 -5.252 -1.917 322 HZ2 TRP 37 2HZ TRP 37 -4.412 -4.668 -6.857 323 HZ3 TRP 37 3HZ TRP 37 -5.615 -3.573 -2.910 324 HH2 TRP 37 HH TRP 37 -5.757 -3.289 -5.331 325 HB2 TRP 37 2HB TRP 37 -1.660 -8.547 -2.441 326 HB3 TRP 37 1HB TRP 37 -2.908 -7.588 -1.668 327 H GLU 38 H GLU 38 -1.126 -5.257 0.519 328 HA GLU 38 HA GLU 38 -0.792 -7.453 2.469 329 HB2 GLU 38 2HB GLU 38 0.620 -4.741 2.491 330 HB3 GLU 38 1HB GLU 38 0.557 -5.825 3.882 331 HG2 GLU 38 2HG GLU 38 1.760 -7.554 2.603 332 HG3 GLU 38 1HG GLU 38 1.817 -6.480 1.202 333 HA PRO 39 HA PRO 39 -4.521 -5.721 4.189 334 HB2 PRO 39 2HB PRO 39 -4.429 -6.724 6.748 335 HB3 PRO 39 1HB PRO 39 -4.810 -7.707 5.330 336 HG2 PRO 39 2HG PRO 39 -2.187 -7.410 6.783 337 HG3 PRO 39 1HG PRO 39 -2.974 -8.889 6.190 338 HD2 PRO 39 2HD PRO 39 -0.961 -7.691 4.825 339 HD3 PRO 39 1HD PRO 39 -2.290 -8.527 3.992 340 H GLU 40 H GLU 40 -5.345 -4.470 6.125 341 HA GLU 40 HA GLU 40 -3.935 -2.016 6.285 342 HB2 GLU 40 2HB GLU 40 -6.433 -2.275 6.383 343 HB3 GLU 40 1HB GLU 40 -6.271 -2.954 7.999 344 HG2 GLU 40 2HG GLU 40 -5.182 -0.753 8.685 345 HG3 GLU 40 1HG GLU 40 -5.646 -0.127 7.104 346 H GLU 41 H GLU 41 -4.102 -4.806 8.419 347 HA GLU 41 HA GLU 41 -3.072 -3.675 10.793 348 HB2 GLU 41 2HB GLU 41 -2.540 -6.032 11.455 349 HB3 GLU 41 1HB GLU 41 -4.180 -5.820 10.852 350 HG2 GLU 41 2HG GLU 41 -3.362 -6.689 8.611 351 HG3 GLU 41 1HG GLU 41 -1.842 -7.093 9.407 352 H ASN 42 H ASN 42 -1.488 -4.767 7.841 353 HA ASN 42 HA ASN 42 1.214 -4.598 8.886 354 HB2 ASN 42 2HB ASN 42 0.185 -4.709 6.008 355 HB3 ASN 42 1HB ASN 42 1.890 -4.754 6.454 356 HD21 ASN 42 1HD2 ASN 42 2.204 -6.794 5.564 357 HD22 ASN 42 2HD2 ASN 42 1.551 -8.230 6.252 358 H ILE 43 H ILE 43 -1.084 -2.424 7.368 359 HA ILE 43 HA ILE 43 0.869 -0.275 7.036 360 HB ILE 43 HB ILE 43 -2.103 -0.323 6.332 361 HG12 ILE 43 2HG1 ILE 43 -0.789 -1.906 4.946 362 HG13 ILE 43 1HG1 ILE 43 -1.323 -0.540 3.976 363 HG21 ILE 43 1HG2 ILE 43 -1.623 1.740 5.040 364 HG22 ILE 43 2HG2 ILE 43 0.032 1.752 5.653 365 HG23 ILE 43 3HG2 ILE 43 -1.324 1.976 6.762 366 HD11 ILE 43 3HD1 ILE 43 0.929 0.435 4.115 367 HD12 ILE 43 1HD1 ILE 43 0.943 -1.182 3.419 368 HD13 ILE 43 2HD1 ILE 43 1.458 -0.944 5.083 369 H LEU 44 H LEU 44 1.390 0.089 9.191 370 HA LEU 44 HA LEU 44 -0.662 1.283 10.952 371 HG LEU 44 HG LEU 44 -0.088 -1.393 11.863 372 HB2 LEU 44 2HB LEU 44 1.990 -0.077 11.433 373 HB3 LEU 44 1HB LEU 44 1.470 1.130 12.590 374 HD11 LEU 44 1HD1 LEU 44 1.919 -1.919 13.141 375 HD12 LEU 44 2HD1 LEU 44 0.482 -2.179 14.122 376 HD13 LEU 44 3HD1 LEU 44 1.481 -0.743 14.385 377 HD21 LEU 44 3HD2 LEU 44 -1.598 -0.796 13.731 378 HD22 LEU 44 1HD2 LEU 44 -1.618 0.428 12.463 379 HD23 LEU 44 2HD2 LEU 44 -0.728 0.725 13.957 380 H ASP 45 H ASP 45 1.122 2.458 8.590 381 HA ASP 45 HA ASP 45 2.310 4.731 10.044 382 HB2 ASP 45 2HB ASP 45 3.787 3.482 8.543 383 HB3 ASP 45 1HB ASP 45 2.709 3.788 7.183 384 HA PRO 46 HA PRO 46 -1.419 6.998 8.936 385 HB2 PRO 46 2HB PRO 46 0.133 9.432 9.753 386 HB3 PRO 46 1HB PRO 46 -1.390 8.796 10.395 387 HG2 PRO 46 2HG PRO 46 0.876 8.585 11.795 388 HG3 PRO 46 1HG PRO 46 -0.308 7.257 11.796 389 HD2 PRO 46 2HD PRO 46 2.252 7.519 10.199 390 HD3 PRO 46 1HD PRO 46 1.640 6.117 11.113 391 H ARG 47 H ARG 47 1.737 7.839 7.644 392 HA ARG 47 HA ARG 47 0.840 9.843 5.790 393 HE ARG 47 HE ARG 47 3.487 11.720 8.970 394 HB2 ARG 47 2HB ARG 47 3.462 8.301 5.841 395 HB3 ARG 47 1HB ARG 47 3.142 9.754 4.891 396 HG2 ARG 47 2HG ARG 47 3.194 9.555 7.923 397 HG3 ARG 47 1HG ARG 47 4.434 10.288 6.900 398 HD2 ARG 47 2HD ARG 47 2.896 12.035 6.203 399 HD3 ARG 47 1HD ARG 47 1.558 11.260 7.061 400 HH11 ARG 47 1HH1 ARG 47 1.721 13.785 6.743 401 HH12 ARG 47 2HH1 ARG 47 1.635 15.106 7.858 402 HH21 ARG 47 1HH2 ARG 47 3.314 13.432 10.430 403 HH22 ARG 47 2HH2 ARG 47 2.516 14.896 9.957 404 H LEU 48 H LEU 48 1.442 6.370 5.622 405 HA LEU 48 HA LEU 48 0.869 6.023 2.842 406 HG LEU 48 HG LEU 48 2.742 4.698 5.203 407 HB2 LEU 48 2HB LEU 48 0.376 4.050 5.111 408 HB3 LEU 48 1HB LEU 48 0.522 3.657 3.398 409 HD11 LEU 48 1HD1 LEU 48 2.154 2.392 5.695 410 HD12 LEU 48 2HD1 LEU 48 3.746 2.489 4.950 411 HD13 LEU 48 3HD1 LEU 48 2.361 1.946 3.997 412 HD21 LEU 48 3HD2 LEU 48 2.862 3.973 2.254 413 HD22 LEU 48 1HD2 LEU 48 4.255 4.331 3.279 414 HD23 LEU 48 2HD2 LEU 48 3.057 5.581 2.961 415 H LEU 49 H LEU 49 -1.065 6.150 5.786 416 HA LEU 49 HA LEU 49 -3.599 5.583 4.609 417 HG LEU 49 HG LEU 49 -2.158 4.568 7.188 418 HB2 LEU 49 2HB LEU 49 -2.918 6.951 7.235 419 HB3 LEU 49 1HB LEU 49 -4.536 6.439 6.770 420 HD11 LEU 49 1HD1 LEU 49 -4.545 5.030 9.008 421 HD12 LEU 49 2HD1 LEU 49 -2.878 5.527 9.312 422 HD13 LEU 49 3HD1 LEU 49 -3.283 3.815 9.230 423 HD21 LEU 49 3HD2 LEU 49 -3.805 2.732 7.009 424 HD22 LEU 49 1HD2 LEU 49 -3.698 3.672 5.520 425 HD23 LEU 49 2HD2 LEU 49 -5.069 3.900 6.608 426 H ILE 50 H ILE 50 -1.683 8.536 4.814 427 HA ILE 50 HA ILE 50 -3.769 10.375 4.103 428 HB ILE 50 HB ILE 50 -0.791 10.642 3.444 429 HG12 ILE 50 2HG1 ILE 50 -0.990 10.413 5.846 430 HG13 ILE 50 1HG1 ILE 50 -0.657 12.097 5.494 431 HG21 ILE 50 1HG2 ILE 50 -2.950 12.794 3.551 432 HG22 ILE 50 2HG2 ILE 50 -2.162 12.172 2.097 433 HG23 ILE 50 3HG2 ILE 50 -1.226 13.075 3.287 434 HD11 ILE 50 3HD1 ILE 50 -2.261 11.889 7.264 435 HD12 ILE 50 1HD1 ILE 50 -3.323 10.915 6.248 436 HD13 ILE 50 2HD1 ILE 50 -3.032 12.612 5.852 437 H ALA 51 H ALA 51 -1.375 8.508 2.247 438 HA ALA 51 HA ALA 51 -2.195 9.193 -0.366 439 HB1 ALA 51 1HB ALA 51 -0.945 6.597 0.596 440 HB2 ALA 51 2HB ALA 51 -0.070 8.049 0.108 441 HB3 ALA 51 3HB ALA 51 -1.012 7.151 -1.083 442 H PHE 52 H PHE 52 -3.363 6.759 1.895 443 HA PHE 52 HA PHE 52 -5.267 5.401 0.330 444 HD1 PHE 52 1HD PHE 52 -6.800 3.096 1.831 445 HD2 PHE 52 2HD PHE 52 -7.025 6.626 4.233 446 HE1 PHE 52 1HE PHE 52 -9.014 2.423 2.639 447 HE2 PHE 52 2HE PHE 52 -9.252 5.941 5.027 448 HZ PHE 52 HZ PHE 52 -10.244 3.833 4.229 449 HB2 PHE 52 2HB PHE 52 -4.758 4.424 2.412 450 HB3 PHE 52 1HB PHE 52 -4.907 5.931 3.280 451 H GLN 53 H GLN 53 -5.612 8.323 2.392 452 HA GLN 53 HA GLN 53 -8.362 8.861 1.994 453 HB2 GLN 53 2HB GLN 53 -6.060 10.800 2.515 454 HB3 GLN 53 1HB GLN 53 -7.764 11.238 2.637 455 HG2 GLN 53 2HG GLN 53 -8.071 9.763 4.520 456 HG3 GLN 53 1HG GLN 53 -6.446 9.105 4.334 457 HE21 GLN 53 1HE2 GLN 53 -7.644 10.458 6.659 458 HE22 GLN 53 2HE2 GLN 53 -6.622 11.803 7.006 459 H ASN 54 H ASN 54 -5.501 9.856 0.210 460 HA ASN 54 HA ASN 54 -6.810 11.527 -1.725 461 HB2 ASN 54 2HB ASN 54 -4.021 10.283 -1.717 462 HB3 ASN 54 1HB ASN 54 -4.564 11.537 -2.835 463 HD21 ASN 54 1HD2 ASN 54 -2.471 11.455 -0.648 464 HD22 ASN 54 2HD2 ASN 54 -2.788 12.864 0.288 465 H ARG 55 H ARG 55 -6.064 8.126 -1.494 466 HA ARG 55 HA ARG 55 -6.667 7.540 -4.272 467 HE ARG 55 HE ARG 55 -3.971 5.900 -6.550 468 HB2 ARG 55 2HB ARG 55 -5.418 6.086 -2.075 469 HB3 ARG 55 1HB ARG 55 -6.741 5.111 -2.687 470 HG2 ARG 55 2HG ARG 55 -4.667 4.526 -3.818 471 HG3 ARG 55 1HG ARG 55 -5.811 5.233 -4.961 472 HD2 ARG 55 2HD ARG 55 -4.598 7.422 -4.720 473 HD3 ARG 55 1HD ARG 55 -3.393 6.597 -3.719 474 HH11 ARG 55 1HH1 ARG 55 -1.612 6.316 -3.974 475 HH12 ARG 55 2HH1 ARG 55 -0.263 5.898 -4.978 476 HH21 ARG 55 1HH2 ARG 55 -2.192 5.340 -7.845 477 HH22 ARG 55 2HH2 ARG 55 -0.597 5.330 -7.166 478 H GLU 56 H GLU 56 -8.408 7.790 -1.260 479 HA GLU 56 HA GLU 56 -10.820 6.475 -2.092 480 HB2 GLU 56 2HB GLU 56 -10.378 8.654 0.010 481 HB3 GLU 56 1HB GLU 56 -11.912 7.829 -0.245 482 HG2 GLU 56 2HG GLU 56 -9.325 6.606 0.752 483 HG3 GLU 56 1HG GLU 56 -10.782 6.911 1.688 484 H ARG 57 H ARG 57 -9.533 9.746 -2.326 485 HA ARG 57 HA ARG 57 -11.914 10.664 -3.851 486 HE ARG 57 HE ARG 57 -12.066 14.440 -2.267 487 HB2 ARG 57 2HB ARG 57 -9.964 12.233 -2.102 488 HB3 ARG 57 1HB ARG 57 -11.251 12.953 -3.068 489 HG2 ARG 57 2HG ARG 57 -12.901 11.567 -1.708 490 HG3 ARG 57 1HG ARG 57 -11.548 11.143 -0.651 491 HD2 ARG 57 2HD ARG 57 -12.875 13.048 0.232 492 HD3 ARG 57 1HD ARG 57 -11.202 13.506 -0.101 493 HH11 ARG 57 1HH1 ARG 57 -14.243 14.219 0.474 494 HH12 ARG 57 2HH1 ARG 57 -15.237 15.534 -0.061 495 HH21 ARG 57 1HH2 ARG 57 -13.417 16.126 -2.981 496 HH22 ARG 57 2HH2 ARG 57 -14.766 16.614 -2.006 497 H GLN 58 H GLN 58 -9.676 9.253 -5.051 498 HA GLN 58 HA GLN 58 -7.932 11.109 -6.348 499 HB2 GLN 58 2HB GLN 58 -7.226 9.207 -7.763 500 HB3 GLN 58 1HB GLN 58 -7.216 8.802 -6.053 501 HG2 GLN 58 2HG GLN 58 -9.359 7.578 -6.361 502 HG3 GLN 58 1HG GLN 58 -9.297 7.938 -8.085 503 HE21 GLN 58 1HE2 GLN 58 -7.598 7.032 -9.326 504 HE22 GLN 58 2HE2 GLN 58 -6.796 5.585 -8.830 505 H GLU 59 H GLU 59 -8.348 12.435 -7.964 506 HA GLU 59 HA GLU 59 -10.963 12.582 -9.173 507 HB2 GLU 59 2HB GLU 59 -8.442 14.264 -9.538 508 HB3 GLU 59 1HB GLU 59 -9.993 14.638 -10.293 509 HG2 GLU 59 2HG GLU 59 -11.034 14.935 -8.109 510 HG3 GLU 59 1HG GLU 59 -9.546 14.446 -7.295 511 H GLN 60 H GLN 60 -7.934 11.240 -10.101 512 HA GLN 60 HA GLN 60 -8.859 10.746 -12.864 513 HB2 GLN 60 2HB GLN 60 -6.016 10.652 -11.724 514 HB3 GLN 60 1HB GLN 60 -6.457 10.298 -13.393 515 HG2 GLN 60 2HG GLN 60 -6.797 12.977 -12.010 516 HG3 GLN 60 1HG GLN 60 -5.495 12.566 -13.126 517 HE21 GLN 60 1HE2 GLN 60 -5.994 12.339 -15.368 518 HE22 GLN 60 2HE2 GLN 60 -7.438 12.997 -16.042 Start of MODEL 10 1 H1 GLY 1 1HT GLY 1 20.925 4.588 7.051 2 H2 GLY 1 2HT GLY 1 19.741 3.399 7.237 3 H3 GLY 1 3HT GLY 1 19.293 5.019 7.053 4 HA2 GLY 1 1HA GLY 1 18.939 3.781 5.030 5 HA3 GLY 1 2HA GLY 1 20.119 5.070 4.835 6 H SER 2 H SER 2 19.519 2.008 3.967 7 HA SER 2 HA SER 2 22.367 1.340 3.514 8 HG SER 2 HG SER 2 22.645 0.035 5.782 9 HB2 SER 2 2HB SER 2 20.229 -0.624 4.468 10 HB3 SER 2 1HB SER 2 21.882 -1.054 4.019 11 H GLU 3 H GLU 3 22.655 -0.212 1.701 12 HA GLU 3 HA GLU 3 20.877 0.261 -0.538 13 HB2 GLU 3 2HB GLU 3 23.363 -1.476 -0.233 14 HB3 GLU 3 1HB GLU 3 22.477 -1.286 -1.747 15 HG2 GLU 3 2HG GLU 3 22.954 1.134 -1.729 16 HG3 GLU 3 1HG GLU 3 23.856 0.949 -0.219 17 H HIS 4 H HIS 4 19.969 -1.527 -1.834 18 HA HIS 4 HA HIS 4 18.834 -3.421 -2.275 19 HD1 HIS 4 1HD HIS 4 18.482 -6.410 0.780 20 HD2 HIS 4 2HD HIS 4 19.476 -6.425 -3.257 21 HE1 HIS 4 1HE HIS 4 17.480 -8.520 -0.143 22 HE2 HIS 4 2HE HIS 4 17.924 -8.396 -2.618 23 HB2 HIS 4 2HB HIS 4 20.836 -4.630 -1.454 24 HB3 HIS 4 1HB HIS 4 20.186 -4.618 0.179 25 H VAL 5 H VAL 5 18.216 -1.549 0.397 26 HA VAL 5 HA VAL 5 16.215 -3.134 1.711 27 HB VAL 5 HB VAL 5 15.711 -1.165 3.081 28 HG11 VAL 5 1HG1 VAL 5 17.914 -0.849 4.153 29 HG12 VAL 5 2HG1 VAL 5 18.711 -1.526 2.730 30 HG13 VAL 5 3HG1 VAL 5 17.648 -2.540 3.709 31 HG21 VAL 5 3HG2 VAL 5 16.872 1.017 2.769 32 HG22 VAL 5 1HG2 VAL 5 15.839 0.627 1.391 33 HG23 VAL 5 2HG2 VAL 5 17.587 0.422 1.268 34 H PHE 6 H PHE 6 14.072 -3.047 1.546 35 HA PHE 6 HA PHE 6 12.796 -1.429 -0.560 36 HD1 PHE 6 1HD PHE 6 14.140 -5.122 0.255 37 HD2 PHE 6 2HD PHE 6 10.083 -4.456 1.424 38 HE1 PHE 6 1HE PHE 6 14.253 -7.049 1.784 39 HE2 PHE 6 2HE PHE 6 10.208 -6.377 2.949 40 HZ PHE 6 HZ PHE 6 12.288 -7.677 3.127 41 HB2 PHE 6 2HB PHE 6 10.981 -3.248 -0.464 42 HB3 PHE 6 1HB PHE 6 12.511 -3.724 -1.166 43 H ALA 7 H ALA 7 11.201 -0.062 0.030 44 HA ALA 7 HA ALA 7 10.153 -0.028 2.797 45 HB1 ALA 7 1HB ALA 7 11.358 2.384 1.366 46 HB2 ALA 7 2HB ALA 7 12.093 1.515 2.714 47 HB3 ALA 7 3HB ALA 7 10.586 2.398 2.956 48 H VAL 8 H VAL 8 8.024 0.640 2.929 49 HA VAL 8 HA VAL 8 6.460 0.713 0.538 50 HB VAL 8 HB VAL 8 5.606 1.396 3.386 51 HG11 VAL 8 1HG1 VAL 8 3.287 0.948 2.549 52 HG12 VAL 8 2HG1 VAL 8 3.928 0.789 0.914 53 HG13 VAL 8 3HG1 VAL 8 4.029 2.335 1.750 54 HG21 VAL 8 3HG2 VAL 8 6.441 -0.922 3.231 55 HG22 VAL 8 1HG2 VAL 8 5.354 -1.237 1.874 56 HG23 VAL 8 2HG2 VAL 8 4.694 -0.903 3.478 57 H GLU 9 H GLU 9 5.949 2.389 -0.661 58 HA GLU 9 HA GLU 9 6.820 5.084 -0.059 59 HB2 GLU 9 2HB GLU 9 7.157 4.094 -2.319 60 HB3 GLU 9 1HB GLU 9 5.423 3.931 -2.513 61 HG2 GLU 9 2HG GLU 9 6.055 5.833 -3.774 62 HG3 GLU 9 1HG GLU 9 5.245 6.453 -2.337 63 H SER 10 H SER 10 3.741 3.480 -0.975 64 HA SER 10 HA SER 10 2.048 5.230 0.505 65 HG SER 10 HG SER 10 0.679 7.235 -2.135 66 HB2 SER 10 2HB SER 10 2.940 6.770 -1.329 67 HB3 SER 10 1HB SER 10 2.152 5.725 -2.511 68 H ILE 11 H ILE 11 -0.277 4.913 -0.088 69 HA ILE 11 HA ILE 11 -0.903 2.162 -0.856 70 HB ILE 11 HB ILE 11 -2.664 4.432 0.171 71 HG12 ILE 11 2HG1 ILE 11 -1.740 1.848 1.513 72 HG13 ILE 11 1HG1 ILE 11 -1.084 3.451 1.843 73 HG21 ILE 11 1HG2 ILE 11 -4.513 2.778 0.370 74 HG22 ILE 11 2HG2 ILE 11 -3.515 1.561 -0.426 75 HG23 ILE 11 3HG2 ILE 11 -4.027 2.998 -1.314 76 HD11 ILE 11 3HD1 ILE 11 -2.617 2.753 3.572 77 HD12 ILE 11 1HD1 ILE 11 -3.908 2.531 2.392 78 HD13 ILE 11 2HD1 ILE 11 -3.268 4.148 2.714 79 H GLU 12 H GLU 12 -1.243 1.674 -2.893 80 HA GLU 12 HA GLU 12 -1.645 3.698 -4.950 81 HB2 GLU 12 2HB GLU 12 -1.077 0.708 -5.227 82 HB3 GLU 12 1HB GLU 12 -1.077 1.887 -6.543 83 HG2 GLU 12 2HG GLU 12 0.849 1.791 -4.195 84 HG3 GLU 12 1HG GLU 12 1.200 1.327 -5.858 85 H LYS 13 H LYS 13 -3.243 0.844 -3.592 86 HA LYS 13 HA LYS 13 -5.776 1.615 -4.880 87 HB2 LYS 13 2HB LYS 13 -4.622 -1.211 -4.889 88 HB3 LYS 13 1HB LYS 13 -6.282 -0.811 -5.323 89 HG2 LYS 13 2HG LYS 13 -5.474 0.509 -7.242 90 HG3 LYS 13 1HG LYS 13 -3.807 0.150 -6.788 91 HD2 LYS 13 2HD LYS 13 -4.525 -1.311 -8.628 92 HD3 LYS 13 1HD LYS 13 -4.204 -2.261 -7.178 93 HE2 LYS 13 2HE LYS 13 -6.218 -3.081 -8.248 94 HE3 LYS 13 1HE LYS 13 -6.648 -2.328 -6.714 95 HZ1 LYS 13 3HZ LYS 13 -7.273 -0.326 -7.945 96 HZ2 LYS 13 1HZ LYS 13 -8.164 -1.673 -8.439 97 HZ3 LYS 13 2HZ LYS 13 -6.904 -1.103 -9.401 98 H LYS 14 H LYS 14 -7.517 1.364 -3.657 99 HA LYS 14 HA LYS 14 -7.391 0.078 -0.991 100 HB2 LYS 14 2HB LYS 14 -8.012 2.364 -0.680 101 HB3 LYS 14 1HB LYS 14 -9.010 2.384 -2.115 102 HG2 LYS 14 2HG LYS 14 -10.447 2.533 -0.206 103 HG3 LYS 14 1HG LYS 14 -10.688 0.956 -0.962 104 HD2 LYS 14 2HD LYS 14 -9.185 -0.049 0.776 105 HD3 LYS 14 1HD LYS 14 -9.081 1.534 1.552 106 HE2 LYS 14 2HE LYS 14 -11.525 -0.243 1.265 107 HE3 LYS 14 1HE LYS 14 -10.730 0.278 2.753 108 HZ1 LYS 14 3HZ LYS 14 -12.311 1.944 0.875 109 HZ2 LYS 14 1HZ LYS 14 -11.386 2.592 2.138 110 HZ3 LYS 14 2HZ LYS 14 -12.685 1.564 2.477 111 H ARG 15 H ARG 15 -8.764 -1.596 -0.569 112 HA ARG 15 HA ARG 15 -11.243 -2.037 -1.901 113 HE ARG 15 HE ARG 15 -6.499 -5.888 -1.473 114 HB2 ARG 15 2HB ARG 15 -10.714 -4.312 -2.840 115 HB3 ARG 15 1HB ARG 15 -9.904 -3.003 -3.674 116 HG2 ARG 15 2HG ARG 15 -8.287 -4.713 -3.551 117 HG3 ARG 15 1HG ARG 15 -7.811 -3.574 -2.296 118 HD2 ARG 15 2HD ARG 15 -8.551 -5.015 -0.562 119 HD3 ARG 15 1HD ARG 15 -9.452 -6.050 -1.686 120 HH11 ARG 15 1HH1 ARG 15 -9.352 -7.742 -2.365 121 HH12 ARG 15 2HH1 ARG 15 -8.457 -9.193 -2.660 122 HH21 ARG 15 1HH2 ARG 15 -5.362 -7.800 -1.849 123 HH22 ARG 15 2HH2 ARG 15 -6.198 -9.228 -2.350 124 H ILE 16 H ILE 16 -12.380 -3.922 -1.056 125 HA ILE 16 HA ILE 16 -11.167 -5.362 1.213 126 HB ILE 16 HB ILE 16 -13.990 -4.192 1.120 127 HG12 ILE 16 2HG1 ILE 16 -11.808 -4.088 3.229 128 HG13 ILE 16 1HG1 ILE 16 -12.190 -2.775 2.119 129 HG21 ILE 16 1HG2 ILE 16 -14.565 -5.514 3.150 130 HG22 ILE 16 2HG2 ILE 16 -13.032 -6.382 3.020 131 HG23 ILE 16 3HG2 ILE 16 -14.258 -6.557 1.762 132 HD11 ILE 16 3HD1 ILE 16 -13.076 -2.325 4.309 133 HD12 ILE 16 1HD1 ILE 16 -13.949 -3.856 4.323 134 HD13 ILE 16 2HD1 ILE 16 -14.410 -2.582 3.187 135 H ARG 17 H ARG 17 -11.424 -7.553 1.054 136 HA ARG 17 HA ARG 17 -13.572 -8.670 -0.554 137 HE ARG 17 HE ARG 17 -13.624 -10.786 -4.644 138 HB2 ARG 17 2HB ARG 17 -11.254 -8.340 -1.893 139 HB3 ARG 17 1HB ARG 17 -10.814 -9.822 -1.061 140 HG2 ARG 17 2HG ARG 17 -11.651 -10.374 -3.250 141 HG3 ARG 17 1HG ARG 17 -12.824 -10.935 -2.053 142 HD2 ARG 17 2HD ARG 17 -14.250 -9.005 -2.492 143 HD3 ARG 17 1HD ARG 17 -13.050 -8.319 -3.593 144 HH11 ARG 17 1HH1 ARG 17 -15.607 -8.002 -3.803 145 HH12 ARG 17 2HH1 ARG 17 -16.729 -8.265 -5.100 146 HH21 ARG 17 1HH2 ARG 17 -15.098 -11.097 -6.344 147 HH22 ARG 17 2HH2 ARG 17 -16.440 -10.009 -6.537 148 H LYS 18 H LYS 18 -14.393 -10.491 0.360 149 HA LYS 18 HA LYS 18 -14.850 -12.138 1.842 150 HB2 LYS 18 2HB LYS 18 -11.811 -12.386 1.930 151 HB3 LYS 18 1HB LYS 18 -12.901 -13.529 2.716 152 HG2 LYS 18 2HG LYS 18 -12.844 -12.951 -0.273 153 HG3 LYS 18 1HG LYS 18 -12.048 -14.320 0.518 154 HD2 LYS 18 2HD LYS 18 -14.282 -15.111 1.322 155 HD3 LYS 18 1HD LYS 18 -15.048 -13.768 0.463 156 HE2 LYS 18 2HE LYS 18 -15.196 -15.860 -0.823 157 HE3 LYS 18 1HE LYS 18 -14.224 -14.660 -1.679 158 HZ1 LYS 18 3HZ LYS 18 -13.204 -16.841 -1.758 159 HZ2 LYS 18 1HZ LYS 18 -13.164 -16.926 -0.067 160 HZ3 LYS 18 2HZ LYS 18 -12.228 -15.780 -0.882 161 H GLY 19 H GLY 19 -14.649 -9.390 2.762 162 HA2 GLY 19 2HA GLY 19 -14.927 -8.219 4.722 163 HA3 GLY 19 1HA GLY 19 -14.792 -9.731 5.598 164 H ARG 20 H ARG 20 -12.182 -9.115 3.512 165 HA ARG 20 HA ARG 20 -10.421 -8.308 5.738 166 HE ARG 20 HE ARG 20 -10.591 -12.232 7.606 167 HB2 ARG 20 2HB ARG 20 -9.803 -9.879 3.190 168 HB3 ARG 20 1HB ARG 20 -8.581 -9.334 4.342 169 HG2 ARG 20 2HG ARG 20 -10.834 -11.297 4.928 170 HG3 ARG 20 1HG ARG 20 -9.136 -11.709 4.658 171 HD2 ARG 20 2HD ARG 20 -8.512 -10.379 6.671 172 HD3 ARG 20 1HD ARG 20 -10.218 -10.020 6.947 173 HH11 ARG 20 1HH1 ARG 20 -7.218 -11.756 6.732 174 HH12 ARG 20 2HH1 ARG 20 -6.683 -13.197 7.531 175 HH21 ARG 20 1HH2 ARG 20 -9.880 -14.131 8.633 176 HH22 ARG 20 2HH2 ARG 20 -8.195 -14.545 8.615 177 H VAL 21 H VAL 21 -9.127 -6.575 5.482 178 HA VAL 21 HA VAL 21 -9.428 -4.954 3.020 179 HB VAL 21 HB VAL 21 -10.622 -3.794 4.727 180 HG11 VAL 21 1HG1 VAL 21 -9.859 -4.959 6.725 181 HG12 VAL 21 2HG1 VAL 21 -9.724 -3.217 6.968 182 HG13 VAL 21 3HG1 VAL 21 -8.282 -4.173 6.624 183 HG21 VAL 21 3HG2 VAL 21 -9.201 -2.321 3.362 184 HG22 VAL 21 1HG2 VAL 21 -7.875 -2.489 4.520 185 HG23 VAL 21 2HG2 VAL 21 -9.363 -1.672 4.995 186 H GLU 22 H GLU 22 -7.622 -4.919 1.904 187 HA GLU 22 HA GLU 22 -5.062 -4.428 3.250 188 HB2 GLU 22 2HB GLU 22 -3.940 -5.949 1.461 189 HB3 GLU 22 1HB GLU 22 -4.670 -6.704 2.867 190 HG2 GLU 22 2HG GLU 22 -6.070 -6.498 0.196 191 HG3 GLU 22 1HG GLU 22 -5.012 -7.840 0.619 192 H TYR 23 H TYR 23 -3.555 -3.339 2.048 193 HA TYR 23 HA TYR 23 -4.649 -1.707 -0.162 194 HD1 TYR 23 1HD TYR 23 -6.155 -0.319 0.904 195 HD2 TYR 23 2HD TYR 23 -3.260 -0.259 4.049 196 HE1 TYR 23 1HE TYR 23 -7.888 0.315 2.530 197 HE2 TYR 23 2HE TYR 23 -5.004 0.373 5.659 198 HH TYR 23 HH TYR 23 -7.188 1.405 5.693 199 HB2 TYR 23 2HB TYR 23 -2.555 -0.913 1.912 200 HB3 TYR 23 1HB TYR 23 -3.299 0.134 0.708 201 H LEU 24 H LEU 24 -3.340 -1.328 -1.923 202 HA LEU 24 HA LEU 24 -1.173 -3.197 -2.418 203 HG LEU 24 HG LEU 24 -0.083 -2.160 -4.956 204 HB2 LEU 24 2HB LEU 24 -2.973 -2.534 -4.107 205 HB3 LEU 24 1HB LEU 24 -2.205 -0.954 -4.206 206 HD11 LEU 24 1HD1 LEU 24 -0.637 -4.414 -4.127 207 HD12 LEU 24 2HD1 LEU 24 -0.270 -4.421 -5.850 208 HD13 LEU 24 3HD1 LEU 24 -1.948 -4.524 -5.307 209 HD21 LEU 24 3HD2 LEU 24 -0.782 -2.376 -7.259 210 HD22 LEU 24 1HD2 LEU 24 -1.571 -0.981 -6.527 211 HD23 LEU 24 2HD2 LEU 24 -2.472 -2.478 -6.772 212 H VAL 25 H VAL 25 0.779 -2.666 -1.530 213 HA VAL 25 HA VAL 25 1.531 0.119 -1.072 214 HB VAL 25 HB VAL 25 3.354 -0.787 0.320 215 HG11 VAL 25 1HG1 VAL 25 0.643 -2.044 0.940 216 HG12 VAL 25 2HG1 VAL 25 1.147 -0.400 1.344 217 HG13 VAL 25 3HG1 VAL 25 1.943 -1.776 2.107 218 HG21 VAL 25 3HG2 VAL 25 3.579 -3.204 0.796 219 HG22 VAL 25 1HG2 VAL 25 3.871 -2.873 -0.912 220 HG23 VAL 25 2HG2 VAL 25 2.333 -3.570 -0.401 221 H LYS 26 H LYS 26 2.843 1.204 -2.372 222 HA LYS 26 HA LYS 26 4.232 -0.006 -4.589 223 HB2 LYS 26 2HB LYS 26 3.154 2.333 -4.507 224 HB3 LYS 26 1HB LYS 26 4.544 2.852 -3.574 225 HG2 LYS 26 2HG LYS 26 4.781 1.640 -6.351 226 HG3 LYS 26 1HG LYS 26 4.530 3.367 -6.087 227 HD2 LYS 26 2HD LYS 26 6.675 3.415 -4.755 228 HD3 LYS 26 1HD LYS 26 6.929 1.716 -5.172 229 HE2 LYS 26 2HE LYS 26 8.225 3.213 -6.642 230 HE3 LYS 26 1HE LYS 26 7.023 2.306 -7.561 231 HZ1 LYS 26 3HZ LYS 26 7.037 4.582 -8.246 232 HZ2 LYS 26 1HZ LYS 26 6.796 5.119 -6.664 233 HZ3 LYS 26 2HZ LYS 26 5.575 4.267 -7.462 234 H TRP 27 H TRP 27 5.946 -1.295 -4.007 235 HA TRP 27 HA TRP 27 7.725 -0.661 -1.850 236 HD1 TRP 27 HD TRP 27 5.831 -4.442 -2.994 237 HE1 TRP 27 1HE TRP 27 5.225 -5.343 -0.666 238 HE3 TRP 27 3HE TRP 27 9.134 -1.776 -0.157 239 HZ2 TRP 27 2HZ TRP 27 5.986 -4.972 2.008 240 HZ3 TRP 27 3HZ TRP 27 9.127 -2.093 2.277 241 HH2 TRP 27 HH TRP 27 7.587 -3.657 3.337 242 HB2 TRP 27 2HB TRP 27 7.680 -2.863 -3.935 243 HB3 TRP 27 1HB TRP 27 9.061 -2.667 -2.862 244 H ARG 28 H ARG 28 9.282 0.727 -1.904 245 HA ARG 28 HA ARG 28 10.544 1.810 -4.245 246 HE ARG 28 HE ARG 28 12.220 4.763 -0.962 247 HB2 ARG 28 2HB ARG 28 11.217 2.053 -1.279 248 HB3 ARG 28 1HB ARG 28 11.971 3.009 -2.555 249 HG2 ARG 28 2HG ARG 28 9.901 4.145 -3.038 250 HG3 ARG 28 1HG ARG 28 8.981 3.047 -2.008 251 HD2 ARG 28 2HD ARG 28 9.285 5.213 -0.916 252 HD3 ARG 28 1HD ARG 28 10.123 3.949 -0.016 253 HH11 ARG 28 1HH1 ARG 28 9.511 6.978 -1.297 254 HH12 ARG 28 2HH1 ARG 28 10.522 8.384 -1.316 255 HH21 ARG 28 1HH2 ARG 28 13.519 6.633 -0.977 256 HH22 ARG 28 2HH2 ARG 28 12.770 8.194 -1.125 257 H GLY 29 H GLY 29 12.715 1.446 -4.878 258 HA2 GLY 29 2HA GLY 29 14.726 0.231 -5.045 259 HA3 GLY 29 1HA GLY 29 14.130 -0.937 -3.867 260 H TRP 30 H TRP 30 11.730 -1.641 -4.845 261 HA TRP 30 HA TRP 30 12.205 -3.108 -7.299 262 HD1 TRP 30 HD TRP 30 11.068 -3.718 -3.229 263 HE1 TRP 30 1HE TRP 30 12.259 -5.903 -2.578 264 HE3 TRP 30 3HE TRP 30 11.336 -5.928 -7.859 265 HZ2 TRP 30 2HZ TRP 30 13.207 -8.239 -3.846 266 HZ3 TRP 30 3HZ TRP 30 12.416 -8.139 -8.050 267 HH2 TRP 30 HH TRP 30 13.331 -9.270 -6.080 268 HB2 TRP 30 2HB TRP 30 9.774 -2.934 -5.453 269 HB3 TRP 30 1HB TRP 30 9.881 -3.996 -6.856 270 H SER 31 H SER 31 10.533 -3.061 -9.051 271 HA SER 31 HA SER 31 10.084 -0.405 -10.031 272 HG SER 31 HG SER 31 11.531 -2.224 -10.943 273 HB2 SER 31 2HB SER 31 9.036 -3.059 -11.093 274 HB3 SER 31 1HB SER 31 9.104 -1.541 -11.986 275 HA PRO 32 HA PRO 32 6.011 0.689 -8.450 276 HB2 PRO 32 2HB PRO 32 5.350 1.171 -11.369 277 HB3 PRO 32 1HB PRO 32 5.025 2.197 -9.960 278 HG2 PRO 32 2HG PRO 32 7.070 2.772 -11.556 279 HG3 PRO 32 1HG PRO 32 7.264 2.900 -9.795 280 HD2 PRO 32 2HD PRO 32 8.281 0.782 -11.668 281 HD3 PRO 32 1HD PRO 32 9.032 1.453 -10.201 282 H LYS 33 H LYS 33 6.222 -1.616 -11.115 283 HA LYS 33 HA LYS 33 3.478 -2.496 -10.982 284 HB2 LYS 33 2HB LYS 33 4.065 -4.097 -12.693 285 HB3 LYS 33 1HB LYS 33 4.812 -2.555 -13.087 286 HG2 LYS 33 2HG LYS 33 6.984 -3.404 -12.226 287 HG3 LYS 33 1HG LYS 33 6.225 -4.958 -11.869 288 HD2 LYS 33 2HD LYS 33 6.512 -3.718 -14.645 289 HD3 LYS 33 1HD LYS 33 7.526 -4.999 -13.983 290 HE2 LYS 33 2HE LYS 33 5.989 -6.109 -15.399 291 HE3 LYS 33 1HE LYS 33 5.371 -6.392 -13.777 292 HZ1 LYS 33 3HZ LYS 33 3.689 -4.761 -14.120 293 HZ2 LYS 33 1HZ LYS 33 3.666 -5.803 -15.448 294 HZ3 LYS 33 2HZ LYS 33 4.358 -4.268 -15.588 295 H TYR 34 H TYR 34 6.350 -3.332 -9.270 296 HA TYR 34 HA TYR 34 5.419 -5.984 -8.424 297 HD1 TYR 34 2HD TYR 34 6.610 -7.581 -9.436 298 HD2 TYR 34 1HD TYR 34 9.595 -4.524 -9.544 299 HE1 TYR 34 2HE TYR 34 7.485 -8.511 -11.527 300 HE2 TYR 34 1HE TYR 34 10.465 -5.462 -11.647 301 HH TYR 34 HH TYR 34 10.470 -7.538 -12.875 302 HB2 TYR 34 2HB TYR 34 7.993 -4.468 -7.808 303 HB3 TYR 34 1HB TYR 34 7.641 -6.097 -7.240 304 H ASN 35 H ASN 35 4.142 -3.364 -7.635 305 HA ASN 35 HA ASN 35 4.183 -3.228 -4.800 306 HB2 ASN 35 2HB ASN 35 1.916 -2.074 -5.145 307 HB3 ASN 35 1HB ASN 35 3.295 -1.331 -5.942 308 HD21 ASN 35 1HD2 ASN 35 1.784 -0.254 -7.316 309 HD22 ASN 35 2HD2 ASN 35 1.070 -1.067 -8.659 310 H THR 36 H THR 36 2.807 -4.253 -3.276 311 HA THR 36 HA THR 36 1.131 -6.499 -4.211 312 HB THR 36 HB THR 36 3.394 -7.444 -3.745 313 HG1 THR 36 1HG THR 36 1.872 -8.445 -1.633 314 HG21 THR 36 3HG2 THR 36 4.254 -7.563 -1.444 315 HG22 THR 36 1HG2 THR 36 2.918 -6.563 -0.871 316 HG23 THR 36 2HG2 THR 36 4.123 -5.883 -1.967 317 H TRP 37 H TRP 37 -0.144 -7.466 -2.391 318 HA TRP 37 HA TRP 37 -1.496 -5.307 -0.997 319 HD1 TRP 37 HD TRP 37 -2.278 -8.522 -3.880 320 HE1 TRP 37 1HE TRP 37 -3.566 -7.322 -5.754 321 HE3 TRP 37 3HE TRP 37 -4.154 -4.612 -1.193 322 HZ2 TRP 37 2HZ TRP 37 -5.140 -5.001 -6.064 323 HZ3 TRP 37 3HZ TRP 37 -5.519 -2.932 -2.340 324 HH2 TRP 37 HH TRP 37 -6.012 -3.123 -4.734 325 HB2 TRP 37 2HB TRP 37 -2.201 -8.262 -1.232 326 HB3 TRP 37 1HB TRP 37 -3.239 -7.018 -0.537 327 H GLU 38 H GLU 38 -0.617 -4.693 0.882 328 HA GLU 38 HA GLU 38 0.016 -6.691 2.980 329 HB2 GLU 38 2HB GLU 38 0.555 -3.688 2.843 330 HB3 GLU 38 1HB GLU 38 0.934 -4.702 4.234 331 HG2 GLU 38 2HG GLU 38 2.158 -4.936 1.463 332 HG3 GLU 38 1HG GLU 38 2.910 -4.188 2.868 333 HA PRO 39 HA PRO 39 -4.144 -5.855 4.506 334 HB2 PRO 39 2HB PRO 39 -3.873 -6.866 7.089 335 HB3 PRO 39 1HB PRO 39 -4.182 -7.851 5.650 336 HG2 PRO 39 2HG PRO 39 -1.576 -7.286 7.045 337 HG3 PRO 39 1HG PRO 39 -2.180 -8.818 6.380 338 HD2 PRO 39 2HD PRO 39 -0.362 -7.334 5.039 339 HD3 PRO 39 1HD PRO 39 -1.632 -8.233 4.176 340 H GLU 40 H GLU 40 -5.242 -4.589 6.098 341 HA GLU 40 HA GLU 40 -4.275 -2.008 6.388 342 HB2 GLU 40 2HB GLU 40 -6.663 -2.610 6.387 343 HB3 GLU 40 1HB GLU 40 -6.482 -3.423 7.939 344 HG2 GLU 40 2HG GLU 40 -5.955 -1.252 9.010 345 HG3 GLU 40 1HG GLU 40 -6.140 -0.447 7.450 346 H GLU 41 H GLU 41 -4.255 -4.655 8.715 347 HA GLU 41 HA GLU 41 -3.407 -3.355 11.050 348 HB2 GLU 41 2HB GLU 41 -2.666 -5.644 11.776 349 HB3 GLU 41 1HB GLU 41 -4.294 -5.613 11.104 350 HG2 GLU 41 2HG GLU 41 -3.368 -6.446 8.923 351 HG3 GLU 41 1HG GLU 41 -1.783 -6.574 9.680 352 H ASN 42 H ASN 42 -1.548 -4.495 8.264 353 HA ASN 42 HA ASN 42 1.071 -4.088 9.384 354 HB2 ASN 42 2HB ASN 42 0.132 -4.372 6.492 355 HB3 ASN 42 1HB ASN 42 1.828 -4.231 6.949 356 HD21 ASN 42 1HD2 ASN 42 2.174 -6.259 5.949 357 HD22 ASN 42 2HD2 ASN 42 1.731 -7.735 6.733 358 H ILE 43 H ILE 43 -1.249 -2.141 7.618 359 HA ILE 43 HA ILE 43 0.618 0.068 7.185 360 HB ILE 43 HB ILE 43 -2.320 -0.118 6.361 361 HG12 ILE 43 2HG1 ILE 43 -1.086 -1.983 5.310 362 HG13 ILE 43 1HG1 ILE 43 -1.462 -0.771 4.092 363 HG21 ILE 43 1HG2 ILE 43 -1.723 1.643 4.726 364 HG22 ILE 43 2HG2 ILE 43 -0.077 1.692 5.364 365 HG23 ILE 43 3HG2 ILE 43 -1.435 2.182 6.381 366 HD11 ILE 43 3HD1 ILE 43 0.774 -1.667 3.795 367 HD12 ILE 43 1HD1 ILE 43 1.225 -1.165 5.422 368 HD13 ILE 43 2HD1 ILE 43 0.851 0.048 4.194 369 H LEU 44 H LEU 44 0.887 0.316 9.447 370 HA LEU 44 HA LEU 44 -1.218 1.501 11.083 371 HG LEU 44 HG LEU 44 0.814 0.429 14.079 372 HB2 LEU 44 2HB LEU 44 0.921 -0.138 11.681 373 HB3 LEU 44 1HB LEU 44 1.641 1.412 12.032 374 HD11 LEU 44 1HD1 LEU 44 -0.652 2.152 14.956 375 HD12 LEU 44 2HD1 LEU 44 -1.050 2.685 13.318 376 HD13 LEU 44 3HD1 LEU 44 0.597 2.861 13.930 377 HD21 LEU 44 3HD2 LEU 44 -1.921 0.263 12.785 378 HD22 LEU 44 1HD2 LEU 44 -1.523 -0.174 14.449 379 HD23 LEU 44 2HD2 LEU 44 -0.841 -1.094 13.111 380 H ASP 45 H ASP 45 1.534 2.393 9.153 381 HA ASP 45 HA ASP 45 2.176 4.925 10.220 382 HB2 ASP 45 2HB ASP 45 3.769 3.624 8.892 383 HB3 ASP 45 1HB ASP 45 2.725 3.710 7.480 384 HA PRO 46 HA PRO 46 -1.409 7.119 8.621 385 HB2 PRO 46 2HB PRO 46 -0.817 9.643 9.429 386 HB3 PRO 46 1HB PRO 46 -1.225 8.363 10.587 387 HG2 PRO 46 2HG PRO 46 1.513 9.342 9.741 388 HG3 PRO 46 1HG PRO 46 0.891 9.075 11.384 389 HD2 PRO 46 2HD PRO 46 2.436 7.235 10.113 390 HD3 PRO 46 1HD PRO 46 1.140 6.753 11.236 391 H ARG 47 H ARG 47 1.837 7.814 7.505 392 HA ARG 47 HA ARG 47 1.185 9.899 5.623 393 HE ARG 47 HE ARG 47 5.459 10.128 8.985 394 HB2 ARG 47 2HB ARG 47 3.639 8.085 5.604 395 HB3 ARG 47 1HB ARG 47 3.466 9.651 4.804 396 HG2 ARG 47 2HG ARG 47 3.330 10.766 7.006 397 HG3 ARG 47 1HG ARG 47 3.463 9.200 7.815 398 HD2 ARG 47 2HD ARG 47 5.709 8.894 6.800 399 HD3 ARG 47 1HD ARG 47 5.575 10.492 6.048 400 HH11 ARG 47 1HH1 ARG 47 6.902 11.731 6.223 401 HH12 ARG 47 2HH1 ARG 47 7.858 12.788 7.205 402 HH21 ARG 47 1HH2 ARG 47 6.734 11.473 10.236 403 HH22 ARG 47 2HH2 ARG 47 7.762 12.644 9.478 404 H LEU 48 H LEU 48 1.479 6.393 5.517 405 HA LEU 48 HA LEU 48 0.983 6.007 2.723 406 HG LEU 48 HG LEU 48 2.588 4.614 5.372 407 HB2 LEU 48 2HB LEU 48 0.239 4.074 4.962 408 HB3 LEU 48 1HB LEU 48 0.583 3.682 3.279 409 HD11 LEU 48 1HD1 LEU 48 3.562 2.375 5.174 410 HD12 LEU 48 2HD1 LEU 48 2.277 1.900 4.058 411 HD13 LEU 48 3HD1 LEU 48 1.890 2.318 5.730 412 HD21 LEU 48 3HD2 LEU 48 4.341 4.220 3.674 413 HD22 LEU 48 1HD2 LEU 48 3.248 5.525 3.219 414 HD23 LEU 48 2HD2 LEU 48 3.097 3.942 2.452 415 H LEU 49 H LEU 49 -1.011 6.131 5.625 416 HA LEU 49 HA LEU 49 -3.533 5.540 4.487 417 HG LEU 49 HG LEU 49 -2.011 4.569 6.982 418 HB2 LEU 49 2HB LEU 49 -2.823 6.949 7.072 419 HB3 LEU 49 1HB LEU 49 -4.442 6.393 6.660 420 HD11 LEU 49 1HD1 LEU 49 -3.040 3.820 9.083 421 HD12 LEU 49 2HD1 LEU 49 -4.305 5.041 8.907 422 HD13 LEU 49 3HD1 LEU 49 -2.624 5.534 9.132 423 HD21 LEU 49 3HD2 LEU 49 -3.624 2.713 6.895 424 HD22 LEU 49 1HD2 LEU 49 -3.659 3.656 5.406 425 HD23 LEU 49 2HD2 LEU 49 -4.942 3.849 6.602 426 H ILE 50 H ILE 50 -1.731 8.548 4.556 427 HA ILE 50 HA ILE 50 -3.772 10.379 3.937 428 HB ILE 50 HB ILE 50 -0.917 10.279 2.851 429 HG12 ILE 50 2HG1 ILE 50 -2.119 11.890 5.153 430 HG13 ILE 50 1HG1 ILE 50 -1.077 10.485 5.330 431 HG21 ILE 50 1HG2 ILE 50 -1.172 12.681 2.276 432 HG22 ILE 50 2HG2 ILE 50 -2.877 12.608 2.720 433 HG23 ILE 50 3HG2 ILE 50 -2.284 11.672 1.348 434 HD11 ILE 50 3HD1 ILE 50 0.128 12.539 5.748 435 HD12 ILE 50 1HD1 ILE 50 -0.285 13.146 4.145 436 HD13 ILE 50 2HD1 ILE 50 0.770 11.738 4.314 437 H ALA 51 H ALA 51 -1.952 8.164 1.808 438 HA ALA 51 HA ALA 51 -3.267 8.827 -0.627 439 HB1 ALA 51 1HB ALA 51 -2.243 6.791 -1.533 440 HB2 ALA 51 2HB ALA 51 -1.802 6.281 0.102 441 HB3 ALA 51 3HB ALA 51 -1.083 7.733 -0.595 442 H PHE 52 H PHE 52 -4.038 6.544 1.946 443 HA PHE 52 HA PHE 52 -6.193 5.159 0.756 444 HD1 PHE 52 2HD PHE 52 -7.476 2.975 2.474 445 HD2 PHE 52 1HD PHE 52 -7.662 6.681 4.594 446 HE1 PHE 52 2HE PHE 52 -9.681 2.376 3.363 447 HE2 PHE 52 1HE PHE 52 -9.877 6.071 5.463 448 HZ PHE 52 HZ PHE 52 -10.887 3.913 4.846 449 HB2 PHE 52 2HB PHE 52 -5.426 4.364 2.883 450 HB3 PHE 52 1HB PHE 52 -5.570 5.944 3.629 451 H GLN 53 H GLN 53 -6.093 8.242 2.587 452 HA GLN 53 HA GLN 53 -8.854 8.872 2.378 453 HB2 GLN 53 2HB GLN 53 -6.454 10.665 2.915 454 HB3 GLN 53 1HB GLN 53 -8.123 11.220 3.017 455 HG2 GLN 53 2HG GLN 53 -6.863 9.043 4.721 456 HG3 GLN 53 1HG GLN 53 -7.202 10.695 5.237 457 HE21 GLN 53 1HE2 GLN 53 -8.183 8.173 6.373 458 HE22 GLN 53 2HE2 GLN 53 -9.907 8.237 6.300 459 H ASN 54 H ASN 54 -6.080 9.634 0.312 460 HA ASN 54 HA ASN 54 -7.353 11.330 -1.556 461 HB2 ASN 54 2HB ASN 54 -5.035 9.378 -1.921 462 HB3 ASN 54 1HB ASN 54 -5.572 10.473 -3.192 463 HD21 ASN 54 1HD2 ASN 54 -3.552 11.510 -3.239 464 HD22 ASN 54 2HD2 ASN 54 -3.023 12.561 -1.976 465 H ARG 55 H ARG 55 -6.984 7.794 -1.398 466 HA ARG 55 HA ARG 55 -8.228 7.145 -3.854 467 HE ARG 55 HE ARG 55 -8.618 2.541 -5.106 468 HB2 ARG 55 2HB ARG 55 -6.713 5.687 -2.198 469 HB3 ARG 55 1HB ARG 55 -8.259 5.197 -1.530 470 HG2 ARG 55 2HG ARG 55 -7.316 4.797 -4.393 471 HG3 ARG 55 1HG ARG 55 -7.448 3.554 -3.152 472 HD2 ARG 55 2HD ARG 55 -9.915 3.894 -3.130 473 HD3 ARG 55 1HD ARG 55 -9.746 5.085 -4.420 474 HH11 ARG 55 1HH1 ARG 55 -11.560 4.438 -5.115 475 HH12 ARG 55 2HH1 ARG 55 -12.372 3.394 -6.232 476 HH21 ARG 55 1HH2 ARG 55 -9.665 1.213 -6.609 477 HH22 ARG 55 2HH2 ARG 55 -11.289 1.583 -7.107 478 H GLU 56 H GLU 56 -9.489 7.602 -0.571 479 HA GLU 56 HA GLU 56 -12.076 6.552 -0.916 480 HB2 GLU 56 2HB GLU 56 -11.092 8.775 0.918 481 HB3 GLU 56 1HB GLU 56 -12.704 8.069 1.029 482 HG2 GLU 56 2HG GLU 56 -10.054 6.680 1.517 483 HG3 GLU 56 1HG GLU 56 -11.272 7.090 2.718 484 H ARG 57 H ARG 57 -10.689 9.477 -2.154 485 HA ARG 57 HA ARG 57 -13.334 10.586 -2.877 486 HE ARG 57 HE ARG 57 -13.362 15.916 -2.611 487 HB2 ARG 57 2HB ARG 57 -11.692 11.969 -1.486 488 HB3 ARG 57 1HB ARG 57 -10.644 12.017 -2.903 489 HG2 ARG 57 2HG ARG 57 -12.472 13.163 -4.170 490 HG3 ARG 57 1HG ARG 57 -13.460 13.156 -2.705 491 HD2 ARG 57 2HD ARG 57 -11.747 14.547 -1.564 492 HD3 ARG 57 1HD ARG 57 -10.778 14.556 -3.043 493 HH11 ARG 57 1HH1 ARG 57 -10.592 15.370 -4.719 494 HH12 ARG 57 2HH1 ARG 57 -10.916 16.766 -5.697 495 HH21 ARG 57 1HH2 ARG 57 -13.756 17.745 -3.891 496 HH22 ARG 57 2HH2 ARG 57 -12.711 18.097 -5.229 497 H GLN 58 H GLN 58 -10.765 8.819 -4.237 498 HA GLN 58 HA GLN 58 -11.499 9.647 -6.996 499 HB2 GLN 58 2HB GLN 58 -9.190 9.608 -7.729 500 HB3 GLN 58 1HB GLN 58 -9.282 10.661 -6.318 501 HG2 GLN 58 2HG GLN 58 -8.424 8.787 -4.915 502 HG3 GLN 58 1HG GLN 58 -8.265 7.801 -6.358 503 HE21 GLN 58 1HE2 GLN 58 -6.033 7.539 -6.135 504 HE22 GLN 58 2HE2 GLN 58 -4.908 8.834 -6.359 505 H GLU 59 H GLU 59 -10.286 7.960 -8.561 506 HA GLU 59 HA GLU 59 -11.136 5.232 -7.876 507 HB2 GLU 59 2HB GLU 59 -11.808 6.360 -10.034 508 HB3 GLU 59 1HB GLU 59 -10.122 6.473 -10.491 509 HG2 GLU 59 2HG GLU 59 -11.363 4.675 -11.673 510 HG3 GLU 59 1HG GLU 59 -9.955 4.096 -10.774 511 H GLN 60 H GLN 60 -9.366 3.602 -9.121 512 HA GLN 60 HA GLN 60 -7.338 2.667 -9.350 513 HB2 GLN 60 2HB GLN 60 -6.193 5.310 -8.348 514 HB3 GLN 60 1HB GLN 60 -5.192 3.932 -8.796 515 HG2 GLN 60 2HG GLN 60 -7.036 5.511 -10.622 516 HG3 GLN 60 1HG GLN 60 -5.278 5.583 -10.600 517 HE21 GLN 60 1HE2 GLN 60 -4.096 3.731 -11.318 518 HE22 GLN 60 2HE2 GLN 60 -4.801 2.625 -12.437 Start of MODEL 11 1 H1 GLY 1 1HT GLY 1 27.580 -4.956 -3.316 2 H2 GLY 1 2HT GLY 1 28.243 -4.698 -4.850 3 H3 GLY 1 3HT GLY 1 28.360 -6.222 -4.128 4 HA2 GLY 1 1HA GLY 1 26.667 -6.242 -5.826 5 HA3 GLY 1 2HA GLY 1 25.984 -6.503 -4.225 6 H SER 2 H SER 2 23.994 -5.608 -4.319 7 HA SER 2 HA SER 2 23.753 -2.716 -4.719 8 HG SER 2 HG SER 2 22.701 -5.695 -6.361 9 HB2 SER 2 2HB SER 2 21.713 -3.041 -6.196 10 HB3 SER 2 1HB SER 2 23.221 -3.555 -6.950 11 H GLU 3 H GLU 3 22.330 -1.830 -3.310 12 HA GLU 3 HA GLU 3 21.237 -3.433 -1.180 13 HB2 GLU 3 2HB GLU 3 20.446 -1.196 -0.271 14 HB3 GLU 3 1HB GLU 3 22.179 -1.325 -0.553 15 HG2 GLU 3 2HG GLU 3 21.990 -0.032 -2.615 16 HG3 GLU 3 1HG GLU 3 20.235 0.024 -2.452 17 H HIS 4 H HIS 4 19.335 -4.421 -1.221 18 HA HIS 4 HA HIS 4 17.178 -3.510 -3.031 19 HD1 HIS 4 1HD HIS 4 17.513 -5.198 -5.199 20 HD2 HIS 4 2HD HIS 4 19.679 -7.396 -2.410 21 HE1 HIS 4 1HE HIS 4 19.406 -6.231 -6.479 22 HE2 HIS 4 2HE HIS 4 20.808 -7.368 -4.741 23 HB2 HIS 4 2HB HIS 4 17.399 -6.161 -1.529 24 HB3 HIS 4 1HB HIS 4 16.268 -5.765 -2.819 25 H VAL 5 H VAL 5 16.304 -1.820 -1.847 26 HA VAL 5 HA VAL 5 15.702 -2.088 0.996 27 HB VAL 5 HB VAL 5 15.253 0.270 -0.892 28 HG11 VAL 5 1HG1 VAL 5 14.910 1.624 1.174 29 HG12 VAL 5 2HG1 VAL 5 15.019 0.159 2.151 30 HG13 VAL 5 3HG1 VAL 5 13.682 0.364 1.017 31 HG21 VAL 5 3HG2 VAL 5 17.462 -0.195 1.161 32 HG22 VAL 5 1HG2 VAL 5 17.250 1.267 0.193 33 HG23 VAL 5 2HG2 VAL 5 17.655 -0.261 -0.592 34 H PHE 6 H PHE 6 13.891 -3.112 1.555 35 HA PHE 6 HA PHE 6 11.377 -2.684 0.059 36 HD1 PHE 6 2HD PHE 6 10.288 -5.137 -1.118 37 HD2 PHE 6 1HD PHE 6 13.997 -5.807 0.912 38 HE1 PHE 6 2HE PHE 6 11.095 -6.485 -3.012 39 HE2 PHE 6 1HE PHE 6 14.789 -7.155 -0.989 40 HZ PHE 6 HZ PHE 6 13.340 -7.492 -2.948 41 HB2 PHE 6 2HB PHE 6 12.099 -4.844 2.096 42 HB3 PHE 6 1HB PHE 6 10.534 -4.676 1.303 43 H ALA 7 H ALA 7 10.670 -0.792 0.861 44 HA ALA 7 HA ALA 7 9.501 -0.834 3.537 45 HB1 ALA 7 1HB ALA 7 11.224 1.493 2.558 46 HB2 ALA 7 2HB ALA 7 11.628 0.379 3.865 47 HB3 ALA 7 3HB ALA 7 10.259 1.474 4.040 48 H VAL 8 H VAL 8 7.462 0.017 3.481 49 HA VAL 8 HA VAL 8 6.302 0.521 0.917 50 HB VAL 8 HB VAL 8 4.998 0.900 3.647 51 HG11 VAL 8 1HG1 VAL 8 2.848 0.614 2.414 52 HG12 VAL 8 2HG1 VAL 8 3.733 0.543 0.888 53 HG13 VAL 8 3HG1 VAL 8 3.738 2.028 1.841 54 HG21 VAL 8 3HG2 VAL 8 5.843 -1.398 3.429 55 HG22 VAL 8 1HG2 VAL 8 5.030 -1.573 1.870 56 HG23 VAL 8 2HG2 VAL 8 4.080 -1.385 3.347 57 H GLU 9 H GLU 9 5.852 2.372 -0.032 58 HA GLU 9 HA GLU 9 6.872 4.875 1.123 59 HB2 GLU 9 2HB GLU 9 7.867 3.992 -1.032 60 HB3 GLU 9 1HB GLU 9 6.304 4.206 -1.800 61 HG2 GLU 9 2HG GLU 9 7.700 6.055 -2.418 62 HG3 GLU 9 1HG GLU 9 6.458 6.665 -1.328 63 H SER 10 H SER 10 4.078 3.383 -0.420 64 HA SER 10 HA SER 10 2.208 5.346 0.491 65 HG SER 10 HG SER 10 0.853 5.819 -2.625 66 HB2 SER 10 2HB SER 10 3.194 6.599 -1.407 67 HB3 SER 10 1HB SER 10 2.879 5.242 -2.487 68 H ILE 11 H ILE 11 -0.009 4.821 -0.217 69 HA ILE 11 HA ILE 11 -0.438 1.982 -0.893 70 HB ILE 11 HB ILE 11 -2.352 4.138 0.113 71 HG12 ILE 11 2HG1 ILE 11 -1.359 1.568 1.427 72 HG13 ILE 11 1HG1 ILE 11 -0.769 3.187 1.802 73 HG21 ILE 11 1HG2 ILE 11 -4.105 2.384 0.227 74 HG22 ILE 11 2HG2 ILE 11 -3.023 1.236 -0.562 75 HG23 ILE 11 3HG2 ILE 11 -3.590 2.661 -1.438 76 HD11 ILE 11 3HD1 ILE 11 -2.321 2.408 3.478 77 HD12 ILE 11 1HD1 ILE 11 -3.571 2.163 2.264 78 HD13 ILE 11 2HD1 ILE 11 -2.997 3.794 2.630 79 H GLU 12 H GLU 12 -0.595 1.537 -2.953 80 HA GLU 12 HA GLU 12 -1.144 3.388 -5.061 81 HB2 GLU 12 2HB GLU 12 -0.930 0.339 -5.110 82 HB3 GLU 12 1HB GLU 12 -0.956 1.377 -6.536 83 HG2 GLU 12 2HG GLU 12 1.193 1.446 -4.387 84 HG3 GLU 12 1HG GLU 12 1.317 0.560 -5.906 85 H LYS 13 H LYS 13 -2.900 0.660 -3.545 86 HA LYS 13 HA LYS 13 -5.394 1.491 -4.892 87 HB2 LYS 13 2HB LYS 13 -4.006 -0.390 -6.103 88 HB3 LYS 13 1HB LYS 13 -4.584 -1.429 -4.811 89 HG2 LYS 13 2HG LYS 13 -6.927 -0.887 -5.454 90 HG3 LYS 13 1HG LYS 13 -6.312 0.089 -6.794 91 HD2 LYS 13 2HD LYS 13 -6.009 -2.920 -6.422 92 HD3 LYS 13 1HD LYS 13 -6.983 -2.093 -7.636 93 HE2 LYS 13 2HE LYS 13 -3.948 -2.094 -7.463 94 HE3 LYS 13 1HE LYS 13 -4.931 -2.968 -8.634 95 HZ1 LYS 13 3HZ LYS 13 -4.024 -0.965 -9.583 96 HZ2 LYS 13 1HZ LYS 13 -4.746 -0.016 -8.385 97 HZ3 LYS 13 2HZ LYS 13 -5.707 -0.842 -9.501 98 H LYS 14 H LYS 14 -7.268 0.828 -3.904 99 HA LYS 14 HA LYS 14 -7.136 -0.205 -1.130 100 HB2 LYS 14 2HB LYS 14 -7.713 2.091 -0.846 101 HB3 LYS 14 1HB LYS 14 -8.679 2.136 -2.309 102 HG2 LYS 14 2HG LYS 14 -10.123 2.334 -0.359 103 HG3 LYS 14 1HG LYS 14 -10.452 0.818 -1.199 104 HD2 LYS 14 2HD LYS 14 -8.995 -0.351 0.520 105 HD3 LYS 14 1HD LYS 14 -8.895 1.184 1.390 106 HE2 LYS 14 2HE LYS 14 -11.427 -0.405 0.827 107 HE3 LYS 14 1HE LYS 14 -10.614 -0.246 2.381 108 HZ1 LYS 14 3HZ LYS 14 -11.806 2.008 0.875 109 HZ2 LYS 14 1HZ LYS 14 -11.141 2.079 2.423 110 HZ3 LYS 14 2HZ LYS 14 -12.565 1.209 2.153 111 H ARG 15 H ARG 15 -8.476 -1.907 -0.708 112 HA ARG 15 HA ARG 15 -10.929 -2.362 -2.163 113 HE ARG 15 HE ARG 15 -9.204 -6.788 -2.391 114 HB2 ARG 15 2HB ARG 15 -10.270 -4.800 -2.727 115 HB3 ARG 15 1HB ARG 15 -9.619 -3.533 -3.751 116 HG2 ARG 15 2HG ARG 15 -7.823 -5.030 -3.414 117 HG3 ARG 15 1HG ARG 15 -7.474 -3.653 -2.375 118 HD2 ARG 15 2HD ARG 15 -6.922 -5.680 -1.196 119 HD3 ARG 15 1HD ARG 15 -8.351 -4.981 -0.428 120 HH11 ARG 15 1HH1 ARG 15 -7.699 -6.892 0.769 121 HH12 ARG 15 2HH1 ARG 15 -8.131 -8.543 1.049 122 HH21 ARG 15 1HH2 ARG 15 -9.776 -8.922 -2.013 123 HH22 ARG 15 2HH2 ARG 15 -9.323 -9.686 -0.527 124 H ILE 16 H ILE 16 -12.236 -4.024 -1.272 125 HA ILE 16 HA ILE 16 -11.497 -5.147 1.358 126 HB ILE 16 HB ILE 16 -14.131 -3.730 0.698 127 HG12 ILE 16 2HG1 ILE 16 -12.172 -3.220 2.957 128 HG13 ILE 16 1HG1 ILE 16 -12.195 -2.289 1.464 129 HG21 ILE 16 1HG2 ILE 16 -14.644 -5.816 1.910 130 HG22 ILE 16 2HG2 ILE 16 -14.943 -4.421 2.943 131 HG23 ILE 16 3HG2 ILE 16 -13.485 -5.391 3.175 132 HD11 ILE 16 3HD1 ILE 16 -14.449 -1.486 2.011 133 HD12 ILE 16 1HD1 ILE 16 -13.276 -1.090 3.266 134 HD13 ILE 16 2HD1 ILE 16 -14.413 -2.414 3.513 135 H ARG 17 H ARG 17 -12.128 -7.227 1.594 136 HA ARG 17 HA ARG 17 -14.314 -8.372 0.114 137 HE ARG 17 HE ARG 17 -12.921 -9.649 -3.410 138 HB2 ARG 17 2HB ARG 17 -12.523 -8.648 -1.552 139 HB3 ARG 17 1HB ARG 17 -11.474 -9.387 -0.350 140 HG2 ARG 17 2HG ARG 17 -12.937 -11.346 -0.221 141 HG3 ARG 17 1HG ARG 17 -14.080 -10.601 -1.346 142 HD2 ARG 17 2HD ARG 17 -11.200 -11.353 -2.003 143 HD3 ARG 17 1HD ARG 17 -12.634 -12.285 -2.451 144 HH11 ARG 17 1HH1 ARG 17 -11.004 -12.515 -4.109 145 HH12 ARG 17 2HH1 ARG 17 -10.771 -12.087 -5.770 146 HH21 ARG 17 1HH2 ARG 17 -12.593 -9.124 -5.596 147 HH22 ARG 17 2HH2 ARG 17 -11.671 -10.182 -6.611 148 H LYS 18 H LYS 18 -15.330 -9.787 1.379 149 HA LYS 18 HA LYS 18 -15.926 -11.116 3.102 150 HB2 LYS 18 2HB LYS 18 -12.997 -11.973 3.038 151 HB3 LYS 18 1HB LYS 18 -14.273 -12.819 3.908 152 HG2 LYS 18 2HG LYS 18 -14.049 -12.490 0.894 153 HG3 LYS 18 1HG LYS 18 -13.766 -13.968 1.825 154 HD2 LYS 18 2HD LYS 18 -16.167 -13.915 2.551 155 HD3 LYS 18 1HD LYS 18 -16.417 -12.502 1.518 156 HE2 LYS 18 2HE LYS 18 -17.196 -14.512 0.391 157 HE3 LYS 18 1HE LYS 18 -15.789 -13.874 -0.460 158 HZ1 LYS 18 3HZ LYS 18 -14.414 -15.534 0.596 159 HZ2 LYS 18 1HZ LYS 18 -15.709 -16.291 -0.179 160 HZ3 LYS 18 2HZ LYS 18 -15.720 -16.112 1.500 161 H GLY 19 H GLY 19 -15.182 -8.393 3.681 162 HA2 GLY 19 2HA GLY 19 -14.974 -7.017 5.518 163 HA3 GLY 19 1HA GLY 19 -14.998 -8.454 6.527 164 H ARG 20 H ARG 20 -12.641 -8.127 3.982 165 HA ARG 20 HA ARG 20 -10.474 -7.552 5.932 166 HE ARG 20 HE ARG 20 -11.513 -11.692 7.607 167 HB2 ARG 20 2HB ARG 20 -10.229 -9.296 3.435 168 HB3 ARG 20 1HB ARG 20 -8.973 -8.972 4.633 169 HG2 ARG 20 2HG ARG 20 -11.536 -10.549 5.106 170 HG3 ARG 20 1HG ARG 20 -9.923 -11.232 4.864 171 HD2 ARG 20 2HD ARG 20 -9.152 -10.062 6.926 172 HD3 ARG 20 1HD ARG 20 -10.802 -9.478 7.184 173 HH11 ARG 20 1HH1 ARG 20 -8.013 -11.453 7.286 174 HH12 ARG 20 2HH1 ARG 20 -7.728 -12.999 8.012 175 HH21 ARG 20 1HH2 ARG 20 -11.116 -13.743 8.490 176 HH22 ARG 20 2HH2 ARG 20 -9.488 -14.308 8.680 177 H VAL 21 H VAL 21 -9.786 -5.545 5.551 178 HA VAL 21 HA VAL 21 -9.643 -4.510 2.797 179 HB VAL 21 HB VAL 21 -10.713 -2.943 4.270 180 HG11 VAL 21 1HG1 VAL 21 -8.279 -3.047 6.076 181 HG12 VAL 21 2HG1 VAL 21 -9.868 -3.713 6.438 182 HG13 VAL 21 3HG1 VAL 21 -9.664 -1.969 6.275 183 HG21 VAL 21 3HG2 VAL 21 -9.279 -0.950 3.979 184 HG22 VAL 21 1HG2 VAL 21 -9.231 -1.986 2.552 185 HG23 VAL 21 2HG2 VAL 21 -7.881 -1.988 3.691 186 H GLU 22 H GLU 22 -7.763 -4.132 1.784 187 HA GLU 22 HA GLU 22 -5.190 -4.537 3.110 188 HB2 GLU 22 2HB GLU 22 -5.944 -6.816 2.576 189 HB3 GLU 22 1HB GLU 22 -6.244 -6.368 0.905 190 HG2 GLU 22 2HG GLU 22 -3.929 -6.204 0.419 191 HG3 GLU 22 1HG GLU 22 -3.499 -6.211 2.129 192 H TYR 23 H TYR 23 -3.430 -3.786 1.809 193 HA TYR 23 HA TYR 23 -4.289 -1.800 -0.223 194 HD1 TYR 23 1HD TYR 23 -5.452 0.045 0.697 195 HD2 TYR 23 2HD TYR 23 -3.138 -1.049 4.126 196 HE1 TYR 23 1HE TYR 23 -7.218 0.909 2.180 197 HE2 TYR 23 2HE TYR 23 -4.912 -0.194 5.598 198 HH TYR 23 HH TYR 23 -6.737 1.375 5.545 199 HB2 TYR 23 2HB TYR 23 -2.224 -1.439 1.998 200 HB3 TYR 23 1HB TYR 23 -2.682 -0.229 0.802 201 H LEU 24 H LEU 24 -3.072 -1.637 -2.015 202 HA LEU 24 HA LEU 24 -0.896 -3.475 -2.520 203 HG LEU 24 HG LEU 24 0.210 -2.143 -5.110 204 HB2 LEU 24 2HB LEU 24 -2.636 -2.788 -4.229 205 HB3 LEU 24 1HB LEU 24 -1.917 -1.186 -4.248 206 HD11 LEU 24 1HD1 LEU 24 -1.268 -4.789 -5.205 207 HD12 LEU 24 2HD1 LEU 24 0.068 -4.380 -4.127 208 HD13 LEU 24 3HD1 LEU 24 0.340 -4.463 -5.863 209 HD21 LEU 24 3HD2 LEU 24 -0.563 -2.657 -7.370 210 HD22 LEU 24 1HD2 LEU 24 -1.477 -1.310 -6.690 211 HD23 LEU 24 2HD2 LEU 24 -2.204 -2.920 -6.772 212 H VAL 25 H VAL 25 1.028 -3.024 -1.660 213 HA VAL 25 HA VAL 25 1.689 -0.354 -0.757 214 HB VAL 25 HB VAL 25 3.468 -1.447 0.536 215 HG11 VAL 25 1HG1 VAL 25 2.025 -2.785 2.010 216 HG12 VAL 25 2HG1 VAL 25 0.797 -2.890 0.746 217 HG13 VAL 25 3HG1 VAL 25 1.197 -1.325 1.466 218 HG21 VAL 25 3HG2 VAL 25 4.125 -3.248 -1.026 219 HG22 VAL 25 1HG2 VAL 25 2.590 -4.069 -0.748 220 HG23 VAL 25 2HG2 VAL 25 3.754 -3.904 0.567 221 H LYS 26 H LYS 26 2.976 0.963 -1.745 222 HA LYS 26 HA LYS 26 4.455 0.280 -4.129 223 HB2 LYS 26 2HB LYS 26 3.138 2.414 -3.817 224 HB3 LYS 26 1HB LYS 26 4.289 2.911 -2.584 225 HG2 LYS 26 2HG LYS 26 4.698 4.005 -4.746 226 HG3 LYS 26 1HG LYS 26 6.078 3.030 -4.230 227 HD2 LYS 26 2HD LYS 26 5.740 1.412 -5.895 228 HD3 LYS 26 1HD LYS 26 4.025 1.787 -6.076 229 HE2 LYS 26 2HE LYS 26 6.288 3.596 -6.986 230 HE3 LYS 26 1HE LYS 26 5.386 2.492 -8.027 231 HZ1 LYS 26 3HZ LYS 26 4.244 4.777 -6.511 232 HZ2 LYS 26 1HZ LYS 26 3.357 3.714 -7.488 233 HZ3 LYS 26 2HZ LYS 26 4.521 4.732 -8.176 234 H TRP 27 H TRP 27 6.184 -1.057 -3.462 235 HA TRP 27 HA TRP 27 7.942 -0.467 -1.307 236 HD1 TRP 27 HD TRP 27 6.596 -4.110 -3.640 237 HE1 TRP 27 1HE TRP 27 5.594 -5.577 -1.801 238 HE3 TRP 27 3HE TRP 27 8.777 -1.947 0.439 239 HZ2 TRP 27 2HZ TRP 27 5.679 -5.806 0.988 240 HZ3 TRP 27 3HZ TRP 27 8.248 -2.840 2.669 241 HH2 TRP 27 HH TRP 27 6.729 -4.738 2.942 242 HB2 TRP 27 2HB TRP 27 8.364 -2.241 -3.754 243 HB3 TRP 27 1HB TRP 27 9.445 -2.188 -2.364 244 H ARG 28 H ARG 28 9.400 1.119 -1.192 245 HA ARG 28 HA ARG 28 9.881 2.896 -3.353 246 HE ARG 28 HE ARG 28 10.156 4.950 0.595 247 HB2 ARG 28 2HB ARG 28 11.379 4.110 -1.798 248 HB3 ARG 28 1HB ARG 28 9.815 3.753 -1.081 249 HG2 ARG 28 2HG ARG 28 10.785 1.950 0.256 250 HG3 ARG 28 1HG ARG 28 12.348 2.162 -0.540 251 HD2 ARG 28 2HD ARG 28 12.274 3.199 1.717 252 HD3 ARG 28 1HD ARG 28 12.600 4.380 0.445 253 HH11 ARG 28 1HH1 ARG 28 11.792 3.639 3.384 254 HH12 ARG 28 2HH1 ARG 28 10.729 4.403 4.513 255 HH21 ARG 28 1HH2 ARG 28 8.791 5.992 2.083 256 HH22 ARG 28 2HH2 ARG 28 9.045 5.744 3.779 257 H GLY 29 H GLY 29 11.661 3.224 -4.619 258 HA2 GLY 29 2HA GLY 29 13.757 2.819 -5.582 259 HA3 GLY 29 1HA GLY 29 14.011 1.474 -4.481 260 H TRP 30 H TRP 30 11.055 0.789 -5.449 261 HA TRP 30 HA TRP 30 11.879 -0.791 -7.810 262 HD1 TRP 30 HD TRP 30 11.085 -1.616 -3.510 263 HE1 TRP 30 1HE TRP 30 13.121 -2.970 -2.743 264 HE3 TRP 30 3HE TRP 30 12.549 -3.558 -8.025 265 HZ2 TRP 30 2HZ TRP 30 15.095 -4.620 -3.860 266 HZ3 TRP 30 3HZ TRP 30 14.538 -5.014 -8.080 267 HH2 TRP 30 HH TRP 30 15.787 -5.536 -6.038 268 HB2 TRP 30 2HB TRP 30 9.702 -1.459 -5.767 269 HB3 TRP 30 1HB TRP 30 10.236 -2.477 -7.108 270 H SER 31 H SER 31 10.217 -1.199 -9.420 271 HA SER 31 HA SER 31 8.697 1.165 -10.106 272 HG SER 31 HG SER 31 9.100 -2.172 -12.444 273 HB2 SER 31 2HB SER 31 8.197 -0.161 -12.200 274 HB3 SER 31 1HB SER 31 9.919 -0.031 -11.856 275 HA PRO 32 HA PRO 32 4.608 -0.071 -8.642 276 HB2 PRO 32 2HB PRO 32 3.375 0.616 -11.281 277 HB3 PRO 32 1HB PRO 32 3.085 1.313 -9.682 278 HG2 PRO 32 2HG PRO 32 4.453 2.666 -11.563 279 HG3 PRO 32 1HG PRO 32 4.884 2.783 -9.845 280 HD2 PRO 32 2HD PRO 32 6.216 1.179 -12.027 281 HD3 PRO 32 1HD PRO 32 6.944 2.146 -10.721 282 H LYS 33 H LYS 33 6.114 -2.003 -10.915 283 HA LYS 33 HA LYS 33 3.874 -3.916 -11.087 284 HB2 LYS 33 2HB LYS 33 5.070 -5.079 -12.766 285 HB3 LYS 33 1HB LYS 33 5.310 -3.375 -13.124 286 HG2 LYS 33 2HG LYS 33 7.568 -3.573 -11.967 287 HG3 LYS 33 1HG LYS 33 7.300 -5.318 -11.924 288 HD2 LYS 33 2HD LYS 33 7.593 -3.540 -14.374 289 HD3 LYS 33 1HD LYS 33 8.674 -4.829 -13.846 290 HE2 LYS 33 2HE LYS 33 5.843 -5.180 -14.921 291 HE3 LYS 33 1HE LYS 33 7.336 -5.544 -15.781 292 HZ1 LYS 33 3HZ LYS 33 7.816 -7.256 -14.147 293 HZ2 LYS 33 1HZ LYS 33 6.328 -7.540 -14.894 294 HZ3 LYS 33 2HZ LYS 33 6.382 -6.914 -13.322 295 H TYR 34 H TYR 34 6.865 -3.354 -9.391 296 HA TYR 34 HA TYR 34 6.936 -6.074 -8.234 297 HD1 TYR 34 1HD TYR 34 8.601 -7.357 -9.113 298 HD2 TYR 34 2HD TYR 34 10.313 -3.517 -9.890 299 HE1 TYR 34 1HE TYR 34 9.689 -8.254 -11.121 300 HE2 TYR 34 2HE TYR 34 11.394 -4.410 -11.907 301 HH TYR 34 HH TYR 34 10.590 -7.448 -13.250 302 HB2 TYR 34 2HB TYR 34 8.928 -3.770 -8.007 303 HB3 TYR 34 1HB TYR 34 9.130 -5.347 -7.246 304 H ASN 35 H ASN 35 4.770 -4.446 -7.585 305 HA ASN 35 HA ASN 35 5.114 -3.904 -4.705 306 HB2 ASN 35 2HB ASN 35 3.212 -2.345 -4.920 307 HB3 ASN 35 1HB ASN 35 4.534 -1.879 -5.982 308 HD21 ASN 35 1HD2 ASN 35 1.964 -0.930 -6.302 309 HD22 ASN 35 2HD2 ASN 35 1.309 -1.530 -7.781 310 H THR 36 H THR 36 3.663 -4.917 -3.281 311 HA THR 36 HA THR 36 1.794 -6.910 -4.445 312 HB THR 36 HB THR 36 4.007 -7.946 -3.677 313 HG1 THR 36 1HG THR 36 2.941 -9.725 -2.850 314 HG21 THR 36 3HG2 THR 36 4.396 -8.294 -1.306 315 HG22 THR 36 1HG2 THR 36 2.921 -7.419 -0.888 316 HG23 THR 36 2HG2 THR 36 4.281 -6.562 -1.601 317 H TRP 37 H TRP 37 0.446 -7.873 -2.478 318 HA TRP 37 HA TRP 37 -0.903 -5.593 -1.230 319 HD1 TRP 37 HD TRP 37 -1.649 -8.571 -4.193 320 HE1 TRP 37 1HE TRP 37 -2.990 -7.322 -5.989 321 HE3 TRP 37 3HE TRP 37 -3.792 -4.983 -1.264 322 HZ2 TRP 37 2HZ TRP 37 -4.703 -5.097 -6.163 323 HZ3 TRP 37 3HZ TRP 37 -5.260 -3.319 -2.322 324 HH2 TRP 37 HH TRP 37 -5.704 -3.381 -4.718 325 HB2 TRP 37 2HB TRP 37 -1.700 -8.525 -1.524 326 HB3 TRP 37 1HB TRP 37 -2.699 -7.291 -0.769 327 H GLU 38 H GLU 38 -0.705 -5.082 0.881 328 HA GLU 38 HA GLU 38 0.026 -7.144 2.884 329 HB2 GLU 38 2HB GLU 38 0.838 -4.194 2.941 330 HB3 GLU 38 1HB GLU 38 1.141 -5.353 4.229 331 HG2 GLU 38 2HG GLU 38 2.371 -5.336 1.458 332 HG3 GLU 38 1HG GLU 38 3.170 -4.949 2.979 333 HA PRO 39 HA PRO 39 -3.986 -6.151 4.594 334 HB2 PRO 39 2HB PRO 39 -3.609 -6.934 7.224 335 HB3 PRO 39 1HB PRO 39 -3.819 -8.065 5.877 336 HG2 PRO 39 2HG PRO 39 -1.241 -7.077 7.132 337 HG3 PRO 39 1HG PRO 39 -1.725 -8.750 6.762 338 HD2 PRO 39 2HD PRO 39 -0.095 -7.422 5.120 339 HD3 PRO 39 1HD PRO 39 -1.372 -8.461 4.444 340 H GLU 40 H GLU 40 -5.102 -4.935 6.287 341 HA GLU 40 HA GLU 40 -4.405 -2.255 6.544 342 HB2 GLU 40 2HB GLU 40 -6.278 -2.110 8.164 343 HB3 GLU 40 1HB GLU 40 -6.710 -3.045 6.737 344 HG2 GLU 40 2HG GLU 40 -6.529 -5.130 7.953 345 HG3 GLU 40 1HG GLU 40 -5.851 -4.317 9.360 346 H GLU 41 H GLU 41 -3.863 -4.914 8.762 347 HA GLU 41 HA GLU 41 -3.086 -3.418 11.063 348 HB2 GLU 41 2HB GLU 41 -2.358 -5.683 11.933 349 HB3 GLU 41 1HB GLU 41 -4.017 -5.629 11.344 350 HG2 GLU 41 2HG GLU 41 -3.269 -6.677 9.208 351 HG3 GLU 41 1HG GLU 41 -1.636 -6.784 9.862 352 H ASN 42 H ASN 42 -1.406 -4.766 8.308 353 HA ASN 42 HA ASN 42 1.286 -4.475 9.277 354 HB2 ASN 42 2HB ASN 42 0.541 -6.092 7.477 355 HB3 ASN 42 1HB ASN 42 0.261 -4.727 6.408 356 HD21 ASN 42 1HD2 ASN 42 2.158 -7.094 6.397 357 HD22 ASN 42 2HD2 ASN 42 3.678 -6.388 5.997 358 H ILE 43 H ILE 43 -1.019 -2.525 7.461 359 HA ILE 43 HA ILE 43 0.914 -0.349 7.022 360 HB ILE 43 HB ILE 43 -1.939 -0.638 5.960 361 HG12 ILE 43 2HG1 ILE 43 -0.506 -2.366 4.983 362 HG13 ILE 43 1HG1 ILE 43 -0.827 -1.138 3.765 363 HG21 ILE 43 1HG2 ILE 43 0.213 1.394 5.198 364 HG22 ILE 43 2HG2 ILE 43 -1.259 1.736 6.112 365 HG23 ILE 43 3HG2 ILE 43 -1.368 1.216 4.433 366 HD11 ILE 43 3HD1 ILE 43 1.720 -1.431 5.362 367 HD12 ILE 43 1HD1 ILE 43 1.411 -0.199 4.136 368 HD13 ILE 43 2HD1 ILE 43 1.473 -1.900 3.684 369 H LEU 44 H LEU 44 0.986 -0.089 9.349 370 HA LEU 44 HA LEU 44 -1.330 1.135 10.667 371 HG LEU 44 HG LEU 44 -0.073 1.776 13.400 372 HB2 LEU 44 2HB LEU 44 0.101 -0.745 11.701 373 HB3 LEU 44 1HB LEU 44 1.379 0.441 11.887 374 HD11 LEU 44 1HD1 LEU 44 -2.215 0.876 14.210 375 HD12 LEU 44 2HD1 LEU 44 -2.108 -0.441 13.037 376 HD13 LEU 44 3HD1 LEU 44 -2.256 1.228 12.483 377 HD21 LEU 44 3HD2 LEU 44 -0.043 0.241 15.326 378 HD22 LEU 44 1HD2 LEU 44 1.436 0.114 14.373 379 HD23 LEU 44 2HD2 LEU 44 0.193 -1.133 14.240 380 H ASP 45 H ASP 45 1.335 2.071 8.884 381 HA ASP 45 HA ASP 45 2.028 4.531 10.229 382 HB2 ASP 45 2HB ASP 45 3.684 3.262 8.905 383 HB3 ASP 45 1HB ASP 45 2.731 3.507 7.446 384 HA PRO 46 HA PRO 46 -1.523 6.714 8.572 385 HB2 PRO 46 2HB PRO 46 -0.919 9.265 9.334 386 HB3 PRO 46 1HB PRO 46 -1.382 8.011 10.497 387 HG2 PRO 46 2HG PRO 46 1.395 8.935 9.721 388 HG3 PRO 46 1HG PRO 46 0.719 8.705 11.349 389 HD2 PRO 46 2HD PRO 46 2.282 6.828 10.178 390 HD3 PRO 46 1HD PRO 46 0.923 6.370 11.238 391 H ARG 47 H ARG 47 1.744 7.632 7.572 392 HA ARG 47 HA ARG 47 1.089 9.672 5.677 393 HE ARG 47 HE ARG 47 4.094 10.508 9.374 394 HB2 ARG 47 2HB ARG 47 3.569 7.897 5.569 395 HB3 ARG 47 1HB ARG 47 3.399 9.546 4.967 396 HG2 ARG 47 2HG ARG 47 3.448 8.684 7.888 397 HG3 ARG 47 1HG ARG 47 4.776 9.440 7.001 398 HD2 ARG 47 2HD ARG 47 3.457 11.488 6.731 399 HD3 ARG 47 1HD ARG 47 2.084 10.734 7.557 400 HH11 ARG 47 1HH1 ARG 47 2.833 13.299 7.626 401 HH12 ARG 47 2HH1 ARG 47 3.203 14.387 8.923 402 HH21 ARG 47 1HH2 ARG 47 4.544 11.969 11.026 403 HH22 ARG 47 2HH2 ARG 47 4.174 13.647 10.822 404 H LEU 48 H LEU 48 1.464 6.193 5.536 405 HA LEU 48 HA LEU 48 1.184 5.795 2.725 406 HG LEU 48 HG LEU 48 2.638 4.477 5.478 407 HB2 LEU 48 2HB LEU 48 0.336 3.837 4.905 408 HB3 LEU 48 1HB LEU 48 0.825 3.461 3.255 409 HD11 LEU 48 1HD1 LEU 48 2.496 1.728 4.206 410 HD12 LEU 48 2HD1 LEU 48 1.991 2.164 5.841 411 HD13 LEU 48 3HD1 LEU 48 3.691 2.265 5.394 412 HD21 LEU 48 3HD2 LEU 48 3.346 3.744 2.627 413 HD22 LEU 48 1HD2 LEU 48 4.498 4.116 3.913 414 HD23 LEU 48 2HD2 LEU 48 3.383 5.354 3.349 415 H LEU 49 H LEU 49 -1.066 5.784 5.476 416 HA LEU 49 HA LEU 49 -3.429 5.053 4.112 417 HG LEU 49 HG LEU 49 -2.192 4.170 6.767 418 HB2 LEU 49 2HB LEU 49 -3.017 6.537 6.727 419 HB3 LEU 49 1HB LEU 49 -4.588 5.964 6.178 420 HD11 LEU 49 1HD1 LEU 49 -3.396 3.465 8.787 421 HD12 LEU 49 2HD1 LEU 49 -4.651 4.670 8.475 422 HD13 LEU 49 3HD1 LEU 49 -2.996 5.180 8.823 423 HD21 LEU 49 3HD2 LEU 49 -5.065 3.418 6.118 424 HD22 LEU 49 1HD2 LEU 49 -3.783 2.299 6.595 425 HD23 LEU 49 2HD2 LEU 49 -3.655 3.187 5.081 426 H ILE 50 H ILE 50 -1.831 8.178 4.363 427 HA ILE 50 HA ILE 50 -3.976 9.920 3.782 428 HB ILE 50 HB ILE 50 -1.082 10.249 2.835 429 HG12 ILE 50 2HG1 ILE 50 -1.141 9.955 5.279 430 HG13 ILE 50 1HG1 ILE 50 -0.715 11.612 4.891 431 HG21 ILE 50 1HG2 ILE 50 -3.272 12.342 3.171 432 HG22 ILE 50 2HG2 ILE 50 -2.597 11.766 1.644 433 HG23 ILE 50 3HG2 ILE 50 -1.588 12.682 2.763 434 HD11 ILE 50 3HD1 ILE 50 -3.009 12.299 5.426 435 HD12 ILE 50 1HD1 ILE 50 -2.196 11.514 6.780 436 HD13 ILE 50 2HD1 ILE 50 -3.400 10.627 5.844 437 H ALA 51 H ALA 51 -1.784 8.122 1.637 438 HA ALA 51 HA ALA 51 -2.771 8.977 -0.860 439 HB1 ALA 51 1HB ALA 51 -1.502 6.305 -0.168 440 HB2 ALA 51 2HB ALA 51 -0.639 7.782 -0.604 441 HB3 ALA 51 3HB ALA 51 -1.670 6.985 -1.794 442 H PHE 52 H PHE 52 -3.798 6.342 1.269 443 HA PHE 52 HA PHE 52 -5.739 5.090 -0.356 444 HD1 PHE 52 2HD PHE 52 -7.811 3.103 1.180 445 HD2 PHE 52 1HD PHE 52 -6.455 5.890 4.122 446 HE1 PHE 52 2HE PHE 52 -9.921 2.861 2.407 447 HE2 PHE 52 1HE PHE 52 -8.578 5.638 5.333 448 HZ PHE 52 HZ PHE 52 -10.308 4.124 4.472 449 HB2 PHE 52 2HB PHE 52 -5.350 3.711 1.450 450 HB3 PHE 52 1HB PHE 52 -4.913 5.042 2.500 451 H GLN 53 H GLN 53 -5.981 7.824 1.914 452 HA GLN 53 HA GLN 53 -8.797 8.135 2.013 453 HB2 GLN 53 2HB GLN 53 -6.594 10.222 2.358 454 HB3 GLN 53 1HB GLN 53 -8.280 10.453 2.830 455 HG2 GLN 53 2HG GLN 53 -8.111 8.799 4.553 456 HG3 GLN 53 1HG GLN 53 -6.535 8.261 3.970 457 HE21 GLN 53 1HE2 GLN 53 -5.476 8.654 5.902 458 HE22 GLN 53 2HE2 GLN 53 -5.202 10.239 6.525 459 H ASN 54 H ASN 54 -6.321 9.750 0.060 460 HA ASN 54 HA ASN 54 -8.100 11.333 -1.510 461 HB2 ASN 54 2HB ASN 54 -5.164 10.609 -1.864 462 HB3 ASN 54 1HB ASN 54 -6.026 11.641 -3.000 463 HD21 ASN 54 1HD2 ASN 54 -4.705 11.428 0.227 464 HD22 ASN 54 2HD2 ASN 54 -4.866 13.098 0.619 465 H ARG 55 H ARG 55 -6.631 8.144 -1.950 466 HA ARG 55 HA ARG 55 -7.027 7.611 -4.650 467 HE ARG 55 HE ARG 55 -8.373 5.577 -6.240 468 HB2 ARG 55 2HB ARG 55 -5.803 6.107 -3.144 469 HB3 ARG 55 1HB ARG 55 -7.264 5.739 -2.252 470 HG2 ARG 55 2HG ARG 55 -6.608 3.854 -3.649 471 HG3 ARG 55 1HG ARG 55 -8.154 4.497 -4.195 472 HD2 ARG 55 2HD ARG 55 -5.554 5.330 -5.515 473 HD3 ARG 55 1HD ARG 55 -6.376 3.842 -5.987 474 HH11 ARG 55 1HH1 ARG 55 -5.049 6.008 -7.319 475 HH12 ARG 55 2HH1 ARG 55 -5.514 6.955 -8.693 476 HH21 ARG 55 1HH2 ARG 55 -8.944 6.819 -8.021 477 HH22 ARG 55 2HH2 ARG 55 -7.710 7.423 -9.085 478 H GLU 56 H GLU 56 -9.336 7.243 -1.971 479 HA GLU 56 HA GLU 56 -11.466 6.169 -3.574 480 HB2 GLU 56 2HB GLU 56 -11.545 7.338 -0.763 481 HB3 GLU 56 1HB GLU 56 -12.820 6.377 -1.523 482 HG2 GLU 56 2HG GLU 56 -11.151 4.488 -1.715 483 HG3 GLU 56 1HG GLU 56 -10.033 5.457 -0.751 484 H ARG 57 H ARG 57 -10.480 9.409 -2.646 485 HA ARG 57 HA ARG 57 -12.921 10.689 -3.561 486 HE ARG 57 HE ARG 57 -12.813 12.862 1.083 487 HB2 ARG 57 2HB ARG 57 -10.272 11.771 -2.551 488 HB3 ARG 57 1HB ARG 57 -11.461 12.833 -3.306 489 HG2 ARG 57 2HG ARG 57 -13.147 12.034 -1.590 490 HG3 ARG 57 1HG ARG 57 -11.823 11.197 -0.769 491 HD2 ARG 57 2HD ARG 57 -10.710 13.274 -0.285 492 HD3 ARG 57 1HD ARG 57 -11.778 14.175 -1.371 493 HH11 ARG 57 1HH1 ARG 57 -12.475 15.766 -0.879 494 HH12 ARG 57 2HH1 ARG 57 -13.530 16.706 0.119 495 HH21 ARG 57 1HH2 ARG 57 -14.185 14.126 2.377 496 HH22 ARG 57 2HH2 ARG 57 -14.495 15.778 1.965 497 H GLN 58 H GLN 58 -9.980 9.620 -5.060 498 HA GLN 58 HA GLN 58 -10.367 11.265 -7.461 499 HB2 GLN 58 2HB GLN 58 -8.384 8.979 -7.025 500 HB3 GLN 58 1HB GLN 58 -8.363 10.146 -8.343 501 HG2 GLN 58 2HG GLN 58 -7.787 10.681 -5.420 502 HG3 GLN 58 1HG GLN 58 -6.631 10.688 -6.742 503 HE21 GLN 58 1HE2 GLN 58 -7.382 12.775 -4.760 504 HE22 GLN 58 2HE2 GLN 58 -7.774 14.169 -5.704 505 H GLU 59 H GLU 59 -12.635 10.244 -7.304 506 HA GLU 59 HA GLU 59 -12.967 7.514 -8.209 507 HB2 GLU 59 2HB GLU 59 -15.378 8.004 -8.069 508 HB3 GLU 59 1HB GLU 59 -14.556 8.511 -6.594 509 HG2 GLU 59 2HG GLU 59 -14.595 10.858 -7.408 510 HG3 GLU 59 1HG GLU 59 -15.462 10.332 -8.853 511 H GLN 60 H GLN 60 -14.493 7.128 -10.050 512 HA GLN 60 HA GLN 60 -14.779 6.898 -12.257 513 HB2 GLN 60 2HB GLN 60 -14.618 9.940 -12.321 514 HB3 GLN 60 1HB GLN 60 -15.261 8.919 -13.610 515 HG2 GLN 60 2HG GLN 60 -17.034 8.136 -11.994 516 HG3 GLN 60 1HG GLN 60 -16.415 9.322 -10.834 517 HE21 GLN 60 1HE2 GLN 60 -18.117 8.882 -13.853 518 HE22 GLN 60 2HE2 GLN 60 -18.746 10.485 -13.958 Start of MODEL 12 1 H1 GLY 1 1HT GLY 1 26.668 -3.363 -0.089 2 H2 GLY 1 2HT GLY 1 25.953 -1.915 0.395 3 H3 GLY 1 3HT GLY 1 25.327 -2.763 -0.923 4 HA2 GLY 1 1HA GLY 1 24.755 -4.616 0.546 5 HA3 GLY 1 2HA GLY 1 25.320 -3.650 1.900 6 H SER 2 H SER 2 23.025 -4.183 2.564 7 HA SER 2 HA SER 2 20.826 -3.800 2.867 8 HG SER 2 HG SER 2 21.766 -0.776 1.346 9 HB2 SER 2 2HB SER 2 20.181 -1.412 3.185 10 HB3 SER 2 1HB SER 2 21.720 -1.791 3.951 11 H GLU 3 H GLU 3 21.308 -4.725 0.349 12 HA GLU 3 HA GLU 3 19.972 -3.118 -1.681 13 HB2 GLU 3 2HB GLU 3 20.592 -5.023 -3.194 14 HB3 GLU 3 1HB GLU 3 21.959 -4.307 -2.344 15 HG2 GLU 3 2HG GLU 3 21.691 -6.204 -0.623 16 HG3 GLU 3 1HG GLU 3 20.625 -6.972 -1.797 17 H HIS 4 H HIS 4 19.034 -5.419 0.659 18 HA HIS 4 HA HIS 4 16.632 -6.263 -0.839 19 HD1 HIS 4 1HD HIS 4 15.180 -7.845 2.622 20 HD2 HIS 4 2HD HIS 4 16.256 -9.534 -1.013 21 HE1 HIS 4 1HE HIS 4 13.377 -9.512 2.100 22 HE2 HIS 4 2HE HIS 4 13.948 -10.360 -0.195 23 HB2 HIS 4 2HB HIS 4 18.149 -7.958 0.354 24 HB3 HIS 4 1HB HIS 4 17.599 -7.280 1.879 25 H VAL 5 H VAL 5 17.149 -3.497 0.421 26 HA VAL 5 HA VAL 5 15.294 -3.332 2.616 27 HB VAL 5 HB VAL 5 15.429 -0.834 2.349 28 HG11 VAL 5 1HG1 VAL 5 16.961 -2.041 3.853 29 HG12 VAL 5 2HG1 VAL 5 17.765 -0.648 3.131 30 HG13 VAL 5 3HG1 VAL 5 18.106 -2.271 2.527 31 HG21 VAL 5 3HG2 VAL 5 17.411 -1.435 0.112 32 HG22 VAL 5 1HG2 VAL 5 17.105 0.161 0.806 33 HG23 VAL 5 2HG2 VAL 5 15.832 -0.676 -0.087 34 H PHE 6 H PHE 6 13.208 -3.276 2.534 35 HA PHE 6 HA PHE 6 11.749 -2.164 0.223 36 HD1 PHE 6 2HD PHE 6 12.990 -5.902 1.590 37 HD2 PHE 6 1HD PHE 6 9.079 -4.603 2.729 38 HE1 PHE 6 2HE PHE 6 13.008 -7.477 3.477 39 HE2 PHE 6 1HE PHE 6 9.108 -6.181 4.612 40 HZ PHE 6 HZ PHE 6 11.070 -7.617 4.987 41 HB2 PHE 6 2HB PHE 6 10.006 -3.962 0.548 42 HB3 PHE 6 1HB PHE 6 11.551 -4.600 0.008 43 H ALA 7 H ALA 7 10.327 -0.643 0.847 44 HA ALA 7 HA ALA 7 9.058 -0.654 3.479 45 HB1 ALA 7 1HB ALA 7 9.729 1.670 3.997 46 HB2 ALA 7 2HB ALA 7 10.747 1.715 2.554 47 HB3 ALA 7 3HB ALA 7 11.143 0.623 3.880 48 H VAL 8 H VAL 8 7.044 0.220 3.364 49 HA VAL 8 HA VAL 8 5.876 0.652 0.800 50 HB VAL 8 HB VAL 8 4.689 1.173 3.554 51 HG11 VAL 8 1HG1 VAL 8 3.301 0.894 0.852 52 HG12 VAL 8 2HG1 VAL 8 3.397 2.359 1.831 53 HG13 VAL 8 3HG1 VAL 8 2.471 0.972 2.409 54 HG21 VAL 8 3HG2 VAL 8 5.412 -1.176 3.310 55 HG22 VAL 8 1HG2 VAL 8 4.486 -1.317 1.813 56 HG23 VAL 8 2HG2 VAL 8 3.653 -1.065 3.346 57 H GLU 9 H GLU 9 5.629 2.454 -0.290 58 HA GLU 9 HA GLU 9 6.674 4.999 0.771 59 HB2 GLU 9 2HB GLU 9 7.755 4.135 -1.257 60 HB3 GLU 9 1HB GLU 9 6.205 4.012 -2.085 61 HG2 GLU 9 2HG GLU 9 5.989 6.475 -2.039 62 HG3 GLU 9 1HG GLU 9 7.525 6.592 -1.178 63 H SER 10 H SER 10 4.017 3.696 -1.220 64 HA SER 10 HA SER 10 2.082 5.537 -0.052 65 HG SER 10 HG SER 10 3.608 7.068 -1.178 66 HB2 SER 10 2HB SER 10 2.659 5.488 -3.061 67 HB3 SER 10 1HB SER 10 1.261 6.277 -2.327 68 H ILE 11 H ILE 11 -0.109 4.914 -0.560 69 HA ILE 11 HA ILE 11 -0.519 2.110 -1.336 70 HB ILE 11 HB ILE 11 -2.406 4.197 -0.127 71 HG12 ILE 11 2HG1 ILE 11 -1.250 1.633 1.054 72 HG13 ILE 11 1HG1 ILE 11 -0.645 3.251 1.407 73 HG21 ILE 11 1HG2 ILE 11 -4.075 2.373 0.090 74 HG22 ILE 11 2HG2 ILE 11 -3.010 1.284 -0.795 75 HG23 ILE 11 3HG2 ILE 11 -3.702 2.690 -1.607 76 HD11 ILE 11 3HD1 ILE 11 -3.366 2.154 2.102 77 HD12 ILE 11 1HD1 ILE 11 -2.832 3.811 2.402 78 HD13 ILE 11 2HD1 ILE 11 -2.027 2.466 3.198 79 H GLU 12 H GLU 12 -1.394 1.596 -3.262 80 HA GLU 12 HA GLU 12 -1.750 3.704 -5.283 81 HB2 GLU 12 2HB GLU 12 -1.237 0.706 -5.607 82 HB3 GLU 12 1HB GLU 12 -1.374 1.864 -6.927 83 HG2 GLU 12 2HG GLU 12 0.775 1.837 -4.792 84 HG3 GLU 12 1HG GLU 12 0.973 1.336 -6.470 85 H LYS 13 H LYS 13 -3.179 0.636 -4.194 86 HA LYS 13 HA LYS 13 -5.869 1.598 -4.942 87 HB2 LYS 13 2HB LYS 13 -4.866 -1.264 -5.352 88 HB3 LYS 13 1HB LYS 13 -6.490 -0.668 -5.692 89 HG2 LYS 13 2HG LYS 13 -5.564 0.799 -7.471 90 HG3 LYS 13 1HG LYS 13 -3.952 0.151 -7.142 91 HD2 LYS 13 2HD LYS 13 -4.811 -2.137 -7.746 92 HD3 LYS 13 1HD LYS 13 -6.361 -1.399 -8.172 93 HE2 LYS 13 2HE LYS 13 -3.688 -0.795 -9.486 94 HE3 LYS 13 1HE LYS 13 -4.981 -1.777 -10.170 95 HZ1 LYS 13 3HZ LYS 13 -5.131 1.129 -9.557 96 HZ2 LYS 13 1HZ LYS 13 -6.410 0.198 -10.154 97 HZ3 LYS 13 2HZ LYS 13 -5.026 0.437 -11.094 98 H LYS 14 H LYS 14 -7.564 0.593 -3.694 99 HA LYS 14 HA LYS 14 -6.826 -1.034 -1.380 100 HB2 LYS 14 2HB LYS 14 -7.305 0.474 0.270 101 HB3 LYS 14 1HB LYS 14 -7.032 1.689 -0.951 102 HG2 LYS 14 2HG LYS 14 -8.991 2.421 0.037 103 HG3 LYS 14 1HG LYS 14 -9.622 1.524 -1.342 104 HD2 LYS 14 2HD LYS 14 -10.190 -0.376 0.090 105 HD3 LYS 14 1HD LYS 14 -9.370 0.362 1.469 106 HE2 LYS 14 2HE LYS 14 -11.893 0.543 1.507 107 HE3 LYS 14 1HE LYS 14 -11.032 2.073 1.658 108 HZ1 LYS 14 3HZ LYS 14 -12.177 1.065 -0.889 109 HZ2 LYS 14 1HZ LYS 14 -11.495 2.585 -0.612 110 HZ3 LYS 14 2HZ LYS 14 -12.949 2.161 0.136 111 H ARG 15 H ARG 15 -8.488 -2.323 -0.654 112 HA ARG 15 HA ARG 15 -11.193 -2.069 -1.614 113 HE ARG 15 HE ARG 15 -7.019 -6.186 -2.825 114 HB2 ARG 15 2HB ARG 15 -11.165 -4.493 -2.549 115 HB3 ARG 15 1HB ARG 15 -10.516 -3.206 -3.553 116 HG2 ARG 15 2HG ARG 15 -9.118 -5.193 -3.731 117 HG3 ARG 15 1HG ARG 15 -8.213 -3.883 -2.983 118 HD2 ARG 15 2HD ARG 15 -8.346 -4.901 -0.826 119 HD3 ARG 15 1HD ARG 15 -9.521 -6.109 -1.396 120 HH11 ARG 15 1HH1 ARG 15 -8.683 -7.370 0.037 121 HH12 ARG 15 2HH1 ARG 15 -7.608 -8.704 0.246 122 HH21 ARG 15 1HH2 ARG 15 -5.643 -7.940 -2.541 123 HH22 ARG 15 2HH2 ARG 15 -5.859 -9.006 -1.193 124 H ILE 16 H ILE 16 -12.616 -3.709 -0.695 125 HA ILE 16 HA ILE 16 -11.535 -5.131 1.667 126 HB ILE 16 HB ILE 16 -14.286 -3.879 1.276 127 HG12 ILE 16 2HG1 ILE 16 -12.169 -3.636 3.434 128 HG13 ILE 16 1HG1 ILE 16 -12.491 -2.424 2.192 129 HG21 ILE 16 1HG2 ILE 16 -14.996 -4.968 3.403 130 HG22 ILE 16 2HG2 ILE 16 -13.496 -5.895 3.428 131 HG23 ILE 16 3HG2 ILE 16 -14.675 -6.159 2.140 132 HD11 ILE 16 3HD1 ILE 16 -13.405 -1.753 4.324 133 HD12 ILE 16 1HD1 ILE 16 -14.347 -3.239 4.425 134 HD13 ILE 16 2HD1 ILE 16 -14.712 -2.044 3.175 135 H ARG 17 H ARG 17 -11.339 -7.153 1.236 136 HA ARG 17 HA ARG 17 -13.448 -8.650 -0.128 137 HE ARG 17 HE ARG 17 -12.844 -7.896 -4.864 138 HB2 ARG 17 2HB ARG 17 -10.481 -8.825 -0.831 139 HB3 ARG 17 1HB ARG 17 -11.641 -10.066 -1.294 140 HG2 ARG 17 2HG ARG 17 -11.656 -7.169 -2.205 141 HG3 ARG 17 1HG ARG 17 -11.155 -8.563 -3.164 142 HD2 ARG 17 2HD ARG 17 -13.489 -9.468 -2.972 143 HD3 ARG 17 1HD ARG 17 -13.955 -7.986 -2.127 144 HH11 ARG 17 1HH1 ARG 17 -15.499 -7.149 -2.686 145 HH12 ARG 17 2HH1 ARG 17 -16.358 -6.227 -3.869 146 HH21 ARG 17 1HH2 ARG 17 -13.999 -6.688 -6.393 147 HH22 ARG 17 2HH2 ARG 17 -15.507 -5.957 -5.960 148 H LYS 18 H LYS 18 -13.889 -10.552 0.862 149 HA LYS 18 HA LYS 18 -13.976 -12.186 2.414 150 HB2 LYS 18 2HB LYS 18 -11.745 -12.764 1.336 151 HB3 LYS 18 1HB LYS 18 -10.942 -11.896 2.638 152 HG2 LYS 18 2HG LYS 18 -11.727 -13.498 4.278 153 HG3 LYS 18 1HG LYS 18 -12.761 -14.287 3.083 154 HD2 LYS 18 2HD LYS 18 -10.713 -14.951 1.806 155 HD3 LYS 18 1HD LYS 18 -9.714 -14.241 3.082 156 HE2 LYS 18 2HE LYS 18 -9.952 -16.714 3.295 157 HE3 LYS 18 1HE LYS 18 -10.580 -15.854 4.701 158 HZ1 LYS 18 3HZ LYS 18 -12.804 -16.144 3.877 159 HZ2 LYS 18 1HZ LYS 18 -12.043 -17.648 3.947 160 HZ3 LYS 18 2HZ LYS 18 -12.245 -16.874 2.459 161 H GLY 19 H GLY 19 -14.278 -9.394 3.157 162 HA2 GLY 19 2HA GLY 19 -14.677 -8.100 5.018 163 HA3 GLY 19 1HA GLY 19 -14.279 -9.491 6.015 164 H ARG 20 H ARG 20 -11.829 -8.697 3.792 165 HA ARG 20 HA ARG 20 -10.151 -7.560 5.945 166 HE ARG 20 HE ARG 20 -9.119 -12.733 5.857 167 HB2 ARG 20 2HB ARG 20 -9.270 -9.014 3.405 168 HB3 ARG 20 1HB ARG 20 -8.232 -8.446 4.710 169 HG2 ARG 20 2HG ARG 20 -9.173 -10.120 6.236 170 HG3 ARG 20 1HG ARG 20 -10.320 -10.636 4.991 171 HD2 ARG 20 2HD ARG 20 -8.395 -11.300 3.542 172 HD3 ARG 20 1HD ARG 20 -7.292 -10.852 4.845 173 HH11 ARG 20 1HH1 ARG 20 -6.427 -12.597 3.581 174 HH12 ARG 20 2HH1 ARG 20 -6.039 -14.278 3.752 175 HH21 ARG 20 1HH2 ARG 20 -8.576 -14.942 6.080 176 HH22 ARG 20 2HH2 ARG 20 -7.261 -15.611 5.173 177 H VAL 21 H VAL 21 -9.894 -5.402 5.679 178 HA VAL 21 HA VAL 21 -9.782 -4.184 3.044 179 HB VAL 21 HB VAL 21 -10.819 -2.865 4.782 180 HG11 VAL 21 1HG1 VAL 21 -9.611 -1.951 6.737 181 HG12 VAL 21 2HG1 VAL 21 -8.213 -2.943 6.323 182 HG13 VAL 21 3HG1 VAL 21 -9.729 -3.714 6.785 183 HG21 VAL 21 3HG2 VAL 21 -9.658 -1.627 3.011 184 HG22 VAL 21 1HG2 VAL 21 -8.172 -1.613 3.966 185 HG23 VAL 21 2HG2 VAL 21 -9.593 -0.730 4.530 186 H GLU 22 H GLU 22 -8.011 -4.278 1.839 187 HA GLU 22 HA GLU 22 -5.341 -4.486 3.066 188 HB2 GLU 22 2HB GLU 22 -6.088 -6.776 2.633 189 HB3 GLU 22 1HB GLU 22 -6.499 -6.373 0.973 190 HG2 GLU 22 2HG GLU 22 -4.253 -6.290 0.300 191 HG3 GLU 22 1HG GLU 22 -3.672 -6.076 1.950 192 H TYR 23 H TYR 23 -3.681 -3.640 1.829 193 HA TYR 23 HA TYR 23 -4.600 -1.680 -0.196 194 HD1 TYR 23 1HD TYR 23 -5.862 -0.383 0.923 195 HD2 TYR 23 2HD TYR 23 -2.905 -0.451 4.006 196 HE1 TYR 23 1HE TYR 23 -7.498 0.506 2.522 197 HE2 TYR 23 2HE TYR 23 -4.550 0.430 5.607 198 HH TYR 23 HH TYR 23 -6.649 1.787 5.512 199 HB2 TYR 23 2HB TYR 23 -2.386 -1.420 1.885 200 HB3 TYR 23 1HB TYR 23 -2.885 -0.170 0.744 201 H LEU 24 H LEU 24 -3.521 -1.588 -2.098 202 HA LEU 24 HA LEU 24 -1.308 -3.380 -2.680 203 HG LEU 24 HG LEU 24 -0.380 -2.073 -5.324 204 HB2 LEU 24 2HB LEU 24 -3.144 -2.889 -4.337 205 HB3 LEU 24 1HB LEU 24 -2.574 -1.230 -4.428 206 HD11 LEU 24 1HD1 LEU 24 -0.216 -4.410 -6.108 207 HD12 LEU 24 2HD1 LEU 24 -1.767 -4.774 -5.351 208 HD13 LEU 24 3HD1 LEU 24 -0.383 -4.320 -4.355 209 HD21 LEU 24 3HD2 LEU 24 -2.822 -2.914 -6.915 210 HD22 LEU 24 1HD2 LEU 24 -1.209 -2.615 -7.570 211 HD23 LEU 24 2HD2 LEU 24 -2.127 -1.290 -6.857 212 H VAL 25 H VAL 25 0.622 -2.759 -1.884 213 HA VAL 25 HA VAL 25 1.224 0.063 -1.388 214 HB VAL 25 HB VAL 25 3.020 -0.769 0.046 215 HG11 VAL 25 1HG1 VAL 25 0.755 -0.653 1.011 216 HG12 VAL 25 2HG1 VAL 25 1.652 -2.002 1.709 217 HG13 VAL 25 3HG1 VAL 25 0.421 -2.307 0.481 218 HG21 VAL 25 3HG2 VAL 25 3.412 -3.196 0.400 219 HG22 VAL 25 1HG2 VAL 25 3.779 -2.714 -1.257 220 HG23 VAL 25 2HG2 VAL 25 2.280 -3.570 -0.901 221 H LYS 26 H LYS 26 2.629 1.198 -2.518 222 HA LYS 26 HA LYS 26 4.286 0.052 -4.616 223 HB2 LYS 26 2HB LYS 26 2.967 2.303 -4.699 224 HB3 LYS 26 1HB LYS 26 4.233 2.959 -3.679 225 HG2 LYS 26 2HG LYS 26 4.702 1.741 -6.422 226 HG3 LYS 26 1HG LYS 26 4.461 3.461 -6.120 227 HD2 LYS 26 2HD LYS 26 6.520 3.368 -4.604 228 HD3 LYS 26 1HD LYS 26 6.783 1.727 -5.204 229 HE2 LYS 26 2HE LYS 26 8.166 3.303 -6.448 230 HE3 LYS 26 1HE LYS 26 6.933 2.623 -7.519 231 HZ1 LYS 26 3HZ LYS 26 6.803 5.278 -6.183 232 HZ2 LYS 26 1HZ LYS 26 5.620 4.633 -7.205 233 HZ3 LYS 26 2HZ LYS 26 7.149 5.004 -7.819 234 H TRP 27 H TRP 27 6.137 -0.897 -3.913 235 HA TRP 27 HA TRP 27 7.506 -0.170 -1.479 236 HD1 TRP 27 HD TRP 27 6.263 -3.735 -3.786 237 HE1 TRP 27 1HE TRP 27 5.069 -5.157 -2.005 238 HE3 TRP 27 3HE TRP 27 8.428 -1.809 0.420 239 HZ2 TRP 27 2HZ TRP 27 5.032 -5.431 0.781 240 HZ3 TRP 27 3HZ TRP 27 7.751 -2.696 2.608 241 HH2 TRP 27 HH TRP 27 6.088 -4.474 2.782 242 HB2 TRP 27 2HB TRP 27 8.287 -2.067 -3.742 243 HB3 TRP 27 1HB TRP 27 9.146 -1.918 -2.210 244 H ARG 28 H ARG 28 9.119 1.264 -1.269 245 HA ARG 28 HA ARG 28 9.785 3.131 -3.261 246 HE ARG 28 HE ARG 28 13.648 3.387 -0.935 247 HB2 ARG 28 2HB ARG 28 11.490 3.971 -1.659 248 HB3 ARG 28 1HB ARG 28 9.921 3.727 -0.908 249 HG2 ARG 28 2HG ARG 28 10.651 1.888 0.367 250 HG3 ARG 28 1HG ARG 28 12.026 1.568 -0.691 251 HD2 ARG 28 2HD ARG 28 11.772 3.996 1.122 252 HD3 ARG 28 1HD ARG 28 12.690 2.536 1.504 253 HH11 ARG 28 1HH1 ARG 28 13.498 4.795 2.278 254 HH12 ARG 28 2HH1 ARG 28 14.941 5.721 2.055 255 HH21 ARG 28 1HH2 ARG 28 15.529 4.599 -1.205 256 HH22 ARG 28 2HH2 ARG 28 16.091 5.624 0.078 257 H GLY 29 H GLY 29 11.287 3.139 -4.823 258 HA2 GLY 29 2HA GLY 29 13.200 2.723 -6.017 259 HA3 GLY 29 1HA GLY 29 13.832 1.805 -4.663 260 H TRP 30 H TRP 30 10.800 0.613 -5.449 261 HA TRP 30 HA TRP 30 11.831 -1.391 -7.369 262 HD1 TRP 30 HD TRP 30 11.116 -1.433 -3.112 263 HE1 TRP 30 1HE TRP 30 12.975 -2.902 -2.115 264 HE3 TRP 30 3HE TRP 30 12.022 -4.457 -7.154 265 HZ2 TRP 30 2HZ TRP 30 14.605 -5.050 -2.915 266 HZ3 TRP 30 3HZ TRP 30 13.753 -6.201 -6.949 267 HH2 TRP 30 HH TRP 30 15.020 -6.493 -4.871 268 HB2 TRP 30 2HB TRP 30 9.582 -1.658 -5.307 269 HB3 TRP 30 1HB TRP 30 10.029 -2.891 -6.483 270 H SER 31 H SER 31 10.540 -1.835 -9.150 271 HA SER 31 HA SER 31 9.044 0.283 -10.255 272 HG SER 31 HG SER 31 10.862 -1.904 -12.455 273 HB2 SER 31 2HB SER 31 9.163 -2.626 -11.163 274 HB3 SER 31 1HB SER 31 8.631 -1.259 -12.144 275 HA PRO 32 HA PRO 32 4.910 -0.349 -8.609 276 HB2 PRO 32 2HB PRO 32 3.348 0.564 -10.716 277 HB3 PRO 32 1HB PRO 32 4.240 1.627 -9.619 278 HG2 PRO 32 2HG PRO 32 5.065 0.589 -12.331 279 HG3 PRO 32 1HG PRO 32 5.134 2.254 -11.713 280 HD2 PRO 32 2HD PRO 32 7.337 0.747 -11.744 281 HD3 PRO 32 1HD PRO 32 7.008 1.802 -10.349 282 H LYS 33 H LYS 33 6.012 -2.370 -11.125 283 HA LYS 33 HA LYS 33 3.576 -4.025 -11.093 284 HB2 LYS 33 2HB LYS 33 4.808 -5.556 -12.607 285 HB3 LYS 33 1HB LYS 33 4.683 -3.920 -13.237 286 HG2 LYS 33 2HG LYS 33 6.983 -3.463 -12.814 287 HG3 LYS 33 1HG LYS 33 7.177 -4.916 -11.826 288 HD2 LYS 33 2HD LYS 33 7.089 -6.356 -13.719 289 HD3 LYS 33 1HD LYS 33 6.393 -5.109 -14.757 290 HE2 LYS 33 2HE LYS 33 9.211 -4.977 -13.628 291 HE3 LYS 33 1HE LYS 33 8.808 -5.615 -15.224 292 HZ1 LYS 33 3HZ LYS 33 8.267 -2.852 -14.280 293 HZ2 LYS 33 1HZ LYS 33 7.863 -3.463 -15.804 294 HZ3 LYS 33 2HZ LYS 33 9.484 -3.314 -15.355 295 H TYR 34 H TYR 34 6.579 -3.753 -9.428 296 HA TYR 34 HA TYR 34 6.543 -6.456 -8.306 297 HD1 TYR 34 1HD TYR 34 8.073 -7.384 -9.507 298 HD2 TYR 34 2HD TYR 34 10.255 -3.726 -9.137 299 HE1 TYR 34 1HE TYR 34 9.407 -7.988 -11.472 300 HE2 TYR 34 2HE TYR 34 11.593 -4.331 -11.113 301 HH TYR 34 HH TYR 34 12.249 -6.335 -12.371 302 HB2 TYR 34 2HB TYR 34 8.389 -4.094 -7.714 303 HB3 TYR 34 1HB TYR 34 8.604 -5.733 -7.104 304 H ASN 35 H ASN 35 4.547 -4.052 -7.795 305 HA ASN 35 HA ASN 35 4.520 -3.610 -4.992 306 HB2 ASN 35 2HB ASN 35 2.167 -2.826 -5.361 307 HB3 ASN 35 1HB ASN 35 3.329 -2.074 -6.446 308 HD21 ASN 35 1HD2 ASN 35 1.392 -1.513 -7.636 309 HD22 ASN 35 2HD2 ASN 35 0.729 -2.633 -8.770 310 H THR 36 H THR 36 3.077 -4.514 -3.412 311 HA THR 36 HA THR 36 1.828 -7.136 -4.036 312 HB THR 36 HB THR 36 2.527 -7.979 -1.776 313 HG1 THR 36 1HG THR 36 3.001 -6.280 -0.538 314 HG21 THR 36 3HG2 THR 36 4.901 -8.414 -2.260 315 HG22 THR 36 1HG2 THR 36 4.899 -7.137 -3.480 316 HG23 THR 36 2HG2 THR 36 3.927 -8.592 -3.721 317 H TRP 37 H TRP 37 0.001 -7.646 -2.723 318 HA TRP 37 HA TRP 37 -1.389 -5.406 -1.463 319 HD1 TRP 37 HD TRP 37 -2.040 -8.237 -4.551 320 HE1 TRP 37 1HE TRP 37 -3.442 -6.988 -6.311 321 HE3 TRP 37 3HE TRP 37 -4.394 -4.866 -1.489 322 HZ2 TRP 37 2HZ TRP 37 -5.268 -4.844 -6.404 323 HZ3 TRP 37 3HZ TRP 37 -5.932 -3.232 -2.499 324 HH2 TRP 37 HH TRP 37 -6.363 -3.219 -4.919 325 HB2 TRP 37 2HB TRP 37 -2.151 -8.337 -1.865 326 HB3 TRP 37 1HB TRP 37 -3.185 -7.157 -1.067 327 H GLU 38 H GLU 38 -0.954 -4.892 0.597 328 HA GLU 38 HA GLU 38 -0.030 -6.954 2.511 329 HB2 GLU 38 2HB GLU 38 0.593 -3.964 2.553 330 HB3 GLU 38 1HB GLU 38 1.097 -5.120 3.769 331 HG2 GLU 38 2HG GLU 38 1.987 -5.084 0.874 332 HG3 GLU 38 1HG GLU 38 2.935 -4.551 2.262 333 HA PRO 39 HA PRO 39 -3.854 -6.201 4.689 334 HB2 PRO 39 2HB PRO 39 -3.039 -6.881 7.255 335 HB3 PRO 39 1HB PRO 39 -3.448 -8.061 6.004 336 HG2 PRO 39 2HG PRO 39 -0.723 -7.017 6.801 337 HG3 PRO 39 1HG PRO 39 -1.234 -8.700 6.522 338 HD2 PRO 39 2HD PRO 39 0.090 -7.365 4.631 339 HD3 PRO 39 1HD PRO 39 -1.265 -8.430 4.181 340 H GLU 40 H GLU 40 -4.830 -4.689 6.024 341 HA GLU 40 HA GLU 40 -3.783 -2.100 6.160 342 HB2 GLU 40 2HB GLU 40 -6.151 -2.424 6.067 343 HB3 GLU 40 1HB GLU 40 -6.154 -3.437 7.495 344 HG2 GLU 40 2HG GLU 40 -5.300 -0.580 7.841 345 HG3 GLU 40 1HG GLU 40 -7.005 -0.884 7.522 346 H GLU 41 H GLU 41 -3.752 -4.667 8.584 347 HA GLU 41 HA GLU 41 -2.890 -3.234 10.857 348 HB2 GLU 41 2HB GLU 41 -2.083 -5.439 11.691 349 HB3 GLU 41 1HB GLU 41 -3.698 -5.553 11.005 350 HG2 GLU 41 2HG GLU 41 -2.851 -6.584 8.987 351 HG3 GLU 41 1HG GLU 41 -1.185 -6.304 9.480 352 H ASN 42 H ASN 42 -1.125 -4.513 8.086 353 HA ASN 42 HA ASN 42 1.538 -4.091 9.116 354 HB2 ASN 42 2HB ASN 42 0.847 -5.847 7.363 355 HB3 ASN 42 1HB ASN 42 0.684 -4.533 6.213 356 HD21 ASN 42 1HD2 ASN 42 2.246 -5.736 4.984 357 HD22 ASN 42 2HD2 ASN 42 3.922 -5.567 5.325 358 H ILE 43 H ILE 43 -0.859 -2.134 7.648 359 HA ILE 43 HA ILE 43 1.056 0.015 6.956 360 HB ILE 43 HB ILE 43 -1.836 -0.251 6.011 361 HG12 ILE 43 2HG1 ILE 43 -0.535 -2.115 5.047 362 HG13 ILE 43 1HG1 ILE 43 -0.930 -0.945 3.795 363 HG21 ILE 43 1HG2 ILE 43 -1.033 2.066 5.995 364 HG22 ILE 43 2HG2 ILE 43 -1.188 1.472 4.345 365 HG23 ILE 43 3HG2 ILE 43 0.408 1.596 5.083 366 HD11 ILE 43 3HD1 ILE 43 1.318 -1.786 3.536 367 HD12 ILE 43 1HD1 ILE 43 1.743 -1.246 5.162 368 HD13 ILE 43 2HD1 ILE 43 1.351 -0.064 3.909 369 H LEU 44 H LEU 44 1.055 0.129 9.381 370 HA LEU 44 HA LEU 44 -1.261 1.348 10.675 371 HG LEU 44 HG LEU 44 0.342 2.164 13.339 372 HB2 LEU 44 2HB LEU 44 0.079 -0.440 11.781 373 HB3 LEU 44 1HB LEU 44 1.474 0.622 11.787 374 HD11 LEU 44 1HD1 LEU 44 -1.837 1.601 14.355 375 HD12 LEU 44 2HD1 LEU 44 -2.008 0.254 13.226 376 HD13 LEU 44 3HD1 LEU 44 -1.961 1.911 12.624 377 HD21 LEU 44 3HD2 LEU 44 0.306 0.739 15.335 378 HD22 LEU 44 1HD2 LEU 44 1.666 0.335 14.289 379 HD23 LEU 44 2HD2 LEU 44 0.240 -0.707 14.322 380 H ASP 45 H ASP 45 1.605 2.344 9.103 381 HA ASP 45 HA ASP 45 2.109 4.822 10.406 382 HB2 ASP 45 2HB ASP 45 3.719 3.521 8.938 383 HB3 ASP 45 1HB ASP 45 2.791 4.051 7.542 384 HA PRO 46 HA PRO 46 -1.704 6.669 8.861 385 HB2 PRO 46 2HB PRO 46 -1.420 9.202 9.893 386 HB3 PRO 46 1HB PRO 46 -1.839 7.800 10.888 387 HG2 PRO 46 2HG PRO 46 0.876 9.048 10.438 388 HG3 PRO 46 1HG PRO 46 0.118 8.573 11.972 389 HD2 PRO 46 2HD PRO 46 1.941 6.990 10.765 390 HD3 PRO 46 1HD PRO 46 0.538 6.286 11.613 391 H ARG 47 H ARG 47 1.466 7.978 8.043 392 HA ARG 47 HA ARG 47 0.617 9.947 6.162 393 HE ARG 47 HE ARG 47 4.934 10.294 4.960 394 HB2 ARG 47 2HB ARG 47 2.884 10.215 5.573 395 HB3 ARG 47 1HB ARG 47 2.959 9.684 7.247 396 HG2 ARG 47 2HG ARG 47 3.403 7.335 6.372 397 HG3 ARG 47 1HG ARG 47 3.562 8.043 4.763 398 HD2 ARG 47 2HD ARG 47 5.276 8.651 7.196 399 HD3 ARG 47 1HD ARG 47 5.760 7.731 5.769 400 HH11 ARG 47 1HH1 ARG 47 7.619 8.763 6.642 401 HH12 ARG 47 2HH1 ARG 47 8.728 10.044 6.274 402 HH21 ARG 47 1HH2 ARG 47 6.384 11.940 4.474 403 HH22 ARG 47 2HH2 ARG 47 8.025 11.852 5.021 404 H LEU 48 H LEU 48 1.178 6.498 5.964 405 HA LEU 48 HA LEU 48 0.938 6.217 3.112 406 HG LEU 48 HG LEU 48 2.815 5.047 5.497 407 HB2 LEU 48 2HB LEU 48 0.500 4.154 5.307 408 HB3 LEU 48 1HB LEU 48 0.768 3.811 3.603 409 HD11 LEU 48 1HD1 LEU 48 2.447 2.709 6.037 410 HD12 LEU 48 2HD1 LEU 48 4.021 2.906 5.271 411 HD13 LEU 48 3HD1 LEU 48 2.670 2.242 4.349 412 HD21 LEU 48 3HD2 LEU 48 3.123 5.884 3.224 413 HD22 LEU 48 1HD2 LEU 48 3.108 4.239 2.583 414 HD23 LEU 48 2HD2 LEU 48 4.420 4.769 3.639 415 H LEU 49 H LEU 49 -1.213 6.021 5.909 416 HA LEU 49 HA LEU 49 -3.594 5.283 4.554 417 HG LEU 49 HG LEU 49 -2.201 4.515 7.331 418 HB2 LEU 49 2HB LEU 49 -3.261 6.756 7.189 419 HB3 LEU 49 1HB LEU 49 -4.757 6.026 6.623 420 HD11 LEU 49 1HD1 LEU 49 -4.846 4.646 8.811 421 HD12 LEU 49 2HD1 LEU 49 -3.322 5.383 9.314 422 HD13 LEU 49 3HD1 LEU 49 -3.463 3.629 9.236 423 HD21 LEU 49 3HD2 LEU 49 -4.887 3.412 6.429 424 HD22 LEU 49 1HD2 LEU 49 -3.521 2.453 7.012 425 HD23 LEU 49 2HD2 LEU 49 -3.376 3.372 5.518 426 H ILE 50 H ILE 50 -1.960 8.376 4.896 427 HA ILE 50 HA ILE 50 -4.073 10.077 4.046 428 HB ILE 50 HB ILE 50 -1.089 10.440 3.499 429 HG12 ILE 50 2HG1 ILE 50 -1.385 10.260 5.896 430 HG13 ILE 50 1HG1 ILE 50 -1.110 11.950 5.516 431 HG21 ILE 50 1HG2 ILE 50 -1.608 12.850 3.281 432 HG22 ILE 50 2HG2 ILE 50 -3.327 12.501 3.462 433 HG23 ILE 50 3HG2 ILE 50 -2.445 11.889 2.060 434 HD11 ILE 50 3HD1 ILE 50 -2.781 11.713 7.221 435 HD12 ILE 50 1HD1 ILE 50 -3.758 10.674 6.184 436 HD13 ILE 50 2HD1 ILE 50 -3.518 12.373 5.762 437 H ALA 51 H ALA 51 -1.585 8.230 2.274 438 HA ALA 51 HA ALA 51 -2.329 8.979 -0.356 439 HB1 ALA 51 1HB ALA 51 -1.034 7.021 -1.097 440 HB2 ALA 51 2HB ALA 51 -0.996 6.405 0.558 441 HB3 ALA 51 3HB ALA 51 -0.168 7.912 0.157 442 H PHE 52 H PHE 52 -3.386 6.309 1.742 443 HA PHE 52 HA PHE 52 -5.253 4.998 0.135 444 HD1 PHE 52 2HD PHE 52 -7.259 3.063 1.399 445 HD2 PHE 52 1HD PHE 52 -6.734 6.091 4.372 446 HE1 PHE 52 2HE PHE 52 -9.521 2.668 2.242 447 HE2 PHE 52 1HE PHE 52 -9.012 5.674 5.189 448 HZ PHE 52 HZ PHE 52 -10.407 3.964 4.118 449 HB2 PHE 52 2HB PHE 52 -4.931 3.911 2.168 450 HB3 PHE 52 1HB PHE 52 -4.864 5.401 3.084 451 H GLN 53 H GLN 53 -5.766 7.822 2.267 452 HA GLN 53 HA GLN 53 -8.498 8.221 1.672 453 HB2 GLN 53 2HB GLN 53 -6.411 10.129 2.790 454 HB3 GLN 53 1HB GLN 53 -8.122 10.526 2.676 455 HG2 GLN 53 2HG GLN 53 -7.058 8.158 4.242 456 HG3 GLN 53 1HG GLN 53 -7.337 9.751 4.943 457 HE21 GLN 53 1HE2 GLN 53 -8.800 8.712 6.414 458 HE22 GLN 53 2HE2 GLN 53 -10.400 8.291 5.920 459 H ASN 54 H ASN 54 -5.546 9.444 0.164 460 HA ASN 54 HA ASN 54 -6.655 11.418 -1.522 461 HB2 ASN 54 2HB ASN 54 -4.151 9.698 -1.848 462 HB3 ASN 54 1HB ASN 54 -4.577 10.982 -2.980 463 HD21 ASN 54 1HD2 ASN 54 -2.260 10.698 -1.168 464 HD22 ASN 54 2HD2 ASN 54 -2.246 12.130 -0.203 465 H ARG 55 H ARG 55 -6.114 7.925 -2.011 466 HA ARG 55 HA ARG 55 -7.138 7.728 -4.655 467 HE ARG 55 HE ARG 55 -2.917 5.210 -4.730 468 HB2 ARG 55 2HB ARG 55 -6.550 5.761 -2.446 469 HB3 ARG 55 1HB ARG 55 -7.564 5.206 -3.770 470 HG2 ARG 55 2HG ARG 55 -5.160 4.626 -4.044 471 HG3 ARG 55 1HG ARG 55 -5.813 5.567 -5.380 472 HD2 ARG 55 2HD ARG 55 -4.679 7.561 -4.607 473 HD3 ARG 55 1HD ARG 55 -4.175 6.759 -3.120 474 HH11 ARG 55 1HH1 ARG 55 -3.380 8.621 -5.393 475 HH12 ARG 55 2HH1 ARG 55 -1.847 8.795 -6.176 476 HH21 ARG 55 1HH2 ARG 55 -0.894 5.445 -5.716 477 HH22 ARG 55 2HH2 ARG 55 -0.434 6.981 -6.367 478 H GLU 56 H GLU 56 -8.721 7.712 -1.491 479 HA GLU 56 HA GLU 56 -11.297 6.830 -2.363 480 HB2 GLU 56 2HB GLU 56 -10.559 8.509 0.075 481 HB3 GLU 56 1HB GLU 56 -12.113 7.718 -0.172 482 HG2 GLU 56 2HG GLU 56 -9.429 6.360 0.231 483 HG3 GLU 56 1HG GLU 56 -10.753 6.442 1.388 484 H ARG 57 H ARG 57 -9.680 9.952 -2.375 485 HA ARG 57 HA ARG 57 -12.131 11.483 -2.818 486 HE ARG 57 HE ARG 57 -10.176 12.122 1.533 487 HB2 ARG 57 2HB ARG 57 -9.270 12.513 -3.036 488 HB3 ARG 57 1HB ARG 57 -10.734 13.462 -2.832 489 HG2 ARG 57 2HG ARG 57 -9.318 11.754 -0.782 490 HG3 ARG 57 1HG ARG 57 -9.615 13.487 -0.736 491 HD2 ARG 57 2HD ARG 57 -12.025 13.069 -0.471 492 HD3 ARG 57 1HD ARG 57 -11.739 11.328 -0.528 493 HH11 ARG 57 1HH1 ARG 57 -13.566 12.721 0.833 494 HH12 ARG 57 2HH1 ARG 57 -14.026 12.769 2.503 495 HH21 ARG 57 1HH2 ARG 57 -10.780 12.198 3.708 496 HH22 ARG 57 2HH2 ARG 57 -12.434 12.476 4.142 497 H GLN 58 H GLN 58 -9.150 10.761 -4.627 498 HA GLN 58 HA GLN 58 -10.003 12.226 -6.957 499 HB2 GLN 58 2HB GLN 58 -7.799 11.747 -7.838 500 HB3 GLN 58 1HB GLN 58 -7.636 12.159 -6.138 501 HG2 GLN 58 2HG GLN 58 -7.625 9.603 -5.719 502 HG3 GLN 58 1HG GLN 58 -7.335 9.450 -7.448 503 HE21 GLN 58 1HE2 GLN 58 -5.634 11.867 -7.562 504 HE22 GLN 58 2HE2 GLN 58 -4.151 11.428 -6.803 505 H GLU 59 H GLU 59 -10.264 11.416 -9.043 506 HA GLU 59 HA GLU 59 -11.099 8.586 -9.316 507 HB2 GLU 59 2HB GLU 59 -12.325 9.405 -11.355 508 HB3 GLU 59 1HB GLU 59 -12.906 10.109 -9.852 509 HG2 GLU 59 2HG GLU 59 -11.813 12.205 -10.314 510 HG3 GLU 59 1HG GLU 59 -10.962 11.523 -11.695 511 H GLN 60 H GLN 60 -10.478 7.493 -11.291 512 HA GLN 60 HA GLN 60 -7.941 8.465 -12.493 513 HB2 GLN 60 2HB GLN 60 -8.738 5.563 -11.973 514 HB3 GLN 60 1HB GLN 60 -7.230 6.109 -12.700 515 HG2 GLN 60 2HG GLN 60 -8.134 6.569 -9.842 516 HG3 GLN 60 1HG GLN 60 -6.853 5.489 -10.378 517 HE21 GLN 60 1HE2 GLN 60 -5.695 7.403 -12.285 518 HE22 GLN 60 2HE2 GLN 60 -4.916 8.616 -11.341 Start of MODEL 13 1 H1 GLY 1 1HT GLY 1 26.888 -5.774 4.915 2 H2 GLY 1 2HT GLY 1 26.645 -4.326 4.078 3 H3 GLY 1 3HT GLY 1 26.503 -5.801 3.270 4 HA2 GLY 1 1HA GLY 1 24.604 -6.387 4.652 5 HA3 GLY 1 2HA GLY 1 24.735 -4.811 5.422 6 H SER 2 H SER 2 22.374 -5.254 4.426 7 HA SER 2 HA SER 2 21.959 -4.928 1.634 8 HG SER 2 HG SER 2 18.670 -5.319 1.920 9 HB2 SER 2 2HB SER 2 20.303 -6.084 3.018 10 HB3 SER 2 1HB SER 2 20.033 -4.638 3.981 11 H GLU 3 H GLU 3 21.193 -3.224 0.497 12 HA GLU 3 HA GLU 3 21.076 -0.518 1.686 13 HB2 GLU 3 2HB GLU 3 22.219 0.321 -0.420 14 HB3 GLU 3 1HB GLU 3 23.252 -0.626 0.643 15 HG2 GLU 3 2HG GLU 3 23.028 -2.581 -0.811 16 HG3 GLU 3 1HG GLU 3 21.901 -1.710 -1.854 17 H HIS 4 H HIS 4 19.171 -2.722 0.680 18 HA HIS 4 HA HIS 4 17.335 -0.962 -0.724 19 HD1 HIS 4 1HD HIS 4 17.125 -0.256 -3.505 20 HD2 HIS 4 2HD HIS 4 15.601 -4.108 -3.251 21 HE1 HIS 4 1HE HIS 4 15.132 -0.292 -5.021 22 HE2 HIS 4 2HE HIS 4 14.386 -2.685 -5.033 23 HB2 HIS 4 2HB HIS 4 18.797 -2.135 -2.517 24 HB3 HIS 4 1HB HIS 4 18.026 -3.642 -2.026 25 H VAL 5 H VAL 5 17.070 -1.619 1.759 26 HA VAL 5 HA VAL 5 15.608 -4.026 2.324 27 HB VAL 5 HB VAL 5 15.901 -1.417 3.902 28 HG11 VAL 5 1HG1 VAL 5 15.042 -2.641 5.885 29 HG12 VAL 5 2HG1 VAL 5 14.689 -4.042 4.874 30 HG13 VAL 5 3HG1 VAL 5 13.817 -2.529 4.618 31 HG21 VAL 5 3HG2 VAL 5 18.017 -2.646 3.590 32 HG22 VAL 5 1HG2 VAL 5 17.279 -4.108 4.258 33 HG23 VAL 5 2HG2 VAL 5 17.510 -2.688 5.280 34 H PHE 6 H PHE 6 13.414 -4.327 2.337 35 HA PHE 6 HA PHE 6 11.741 -2.700 0.744 36 HD1 PHE 6 2HD PHE 6 10.023 -4.449 -0.887 37 HD2 PHE 6 1HD PHE 6 12.787 -6.541 1.618 38 HE1 PHE 6 2HE PHE 6 10.657 -5.886 -2.777 39 HE2 PHE 6 1HE PHE 6 13.414 -7.975 -0.280 40 HZ PHE 6 HZ PHE 6 12.349 -7.645 -2.476 41 HB2 PHE 6 2HB PHE 6 11.138 -5.036 2.596 42 HB3 PHE 6 1HB PHE 6 9.914 -4.272 1.591 43 H ALA 7 H ALA 7 10.773 -0.876 1.256 44 HA ALA 7 HA ALA 7 9.377 -0.507 3.815 45 HB1 ALA 7 1HB ALA 7 11.569 0.605 4.152 46 HB2 ALA 7 2HB ALA 7 10.257 1.780 4.116 47 HB3 ALA 7 3HB ALA 7 11.305 1.587 2.710 48 H VAL 8 H VAL 8 7.466 0.605 3.551 49 HA VAL 8 HA VAL 8 6.455 0.768 0.851 50 HB VAL 8 HB VAL 8 4.972 1.479 3.427 51 HG11 VAL 8 1HG1 VAL 8 3.900 0.702 0.676 52 HG12 VAL 8 2HG1 VAL 8 3.863 2.320 1.380 53 HG13 VAL 8 3HG1 VAL 8 2.918 1.022 2.112 54 HG21 VAL 8 3HG2 VAL 8 5.109 -1.234 2.041 55 HG22 VAL 8 1HG2 VAL 8 4.075 -0.828 3.417 56 HG23 VAL 8 2HG2 VAL 8 5.831 -0.829 3.601 57 H GLU 9 H GLU 9 5.877 2.542 -0.247 58 HA GLU 9 HA GLU 9 6.835 5.174 0.617 59 HB2 GLU 9 2HB GLU 9 7.837 4.395 -1.467 60 HB3 GLU 9 1HB GLU 9 6.260 4.024 -2.146 61 HG2 GLU 9 2HG GLU 9 7.150 6.042 -3.155 62 HG3 GLU 9 1HG GLU 9 5.712 6.429 -2.216 63 H SER 10 H SER 10 4.025 3.507 -0.826 64 HA SER 10 HA SER 10 2.144 5.429 0.185 65 HG SER 10 HG SER 10 0.654 5.702 -2.878 66 HB2 SER 10 2HB SER 10 2.950 6.760 -1.703 67 HB3 SER 10 1HB SER 10 2.766 5.396 -2.801 68 H ILE 11 H ILE 11 -0.064 4.827 -0.247 69 HA ILE 11 HA ILE 11 -0.511 2.061 -1.160 70 HB ILE 11 HB ILE 11 -2.427 4.083 0.114 71 HG12 ILE 11 2HG1 ILE 11 -1.154 1.544 1.245 72 HG13 ILE 11 1HG1 ILE 11 -0.732 3.194 1.693 73 HG21 ILE 11 1HG2 ILE 11 -2.987 1.186 -0.650 74 HG22 ILE 11 2HG2 ILE 11 -3.673 2.613 -1.430 75 HG23 ILE 11 3HG2 ILE 11 -4.082 2.242 0.246 76 HD11 ILE 11 3HD1 ILE 11 -2.975 3.489 2.659 77 HD12 ILE 11 1HD1 ILE 11 -2.093 2.153 3.395 78 HD13 ILE 11 2HD1 ILE 11 -3.372 1.822 2.230 79 H GLU 12 H GLU 12 -0.968 1.748 -3.235 80 HA GLU 12 HA GLU 12 -1.429 3.981 -5.059 81 HB2 GLU 12 2HB GLU 12 -0.987 1.022 -5.675 82 HB3 GLU 12 1HB GLU 12 -0.896 2.357 -6.825 83 HG2 GLU 12 2HG GLU 12 0.979 1.907 -4.477 84 HG3 GLU 12 1HG GLU 12 1.330 1.523 -6.163 85 H LYS 13 H LYS 13 -2.983 0.945 -4.108 86 HA LYS 13 HA LYS 13 -5.617 1.969 -4.885 87 HB2 LYS 13 2HB LYS 13 -4.495 -0.719 -5.813 88 HB3 LYS 13 1HB LYS 13 -6.207 -0.307 -5.867 89 HG2 LYS 13 2HG LYS 13 -5.733 1.504 -7.472 90 HG3 LYS 13 1HG LYS 13 -4.009 1.129 -7.398 91 HD2 LYS 13 2HD LYS 13 -6.162 -0.794 -8.367 92 HD3 LYS 13 1HD LYS 13 -5.146 0.192 -9.418 93 HE2 LYS 13 2HE LYS 13 -3.144 -0.966 -8.519 94 HE3 LYS 13 1HE LYS 13 -4.200 -1.981 -7.533 95 HZ1 LYS 13 3HZ LYS 13 -4.217 -1.834 -10.487 96 HZ2 LYS 13 1HZ LYS 13 -5.207 -2.822 -9.542 97 HZ3 LYS 13 2HZ LYS 13 -3.536 -3.070 -9.563 98 H LYS 14 H LYS 14 -7.355 0.729 -3.881 99 HA LYS 14 HA LYS 14 -6.667 -0.960 -1.598 100 HB2 LYS 14 2HB LYS 14 -6.865 0.668 -0.013 101 HB3 LYS 14 1HB LYS 14 -7.047 1.873 -1.258 102 HG2 LYS 14 2HG LYS 14 -8.851 2.255 0.173 103 HG3 LYS 14 1HG LYS 14 -9.566 1.359 -1.166 104 HD2 LYS 14 2HD LYS 14 -9.420 -0.730 0.247 105 HD3 LYS 14 1HD LYS 14 -8.844 0.263 1.586 106 HE2 LYS 14 2HE LYS 14 -11.299 -0.263 1.688 107 HE3 LYS 14 1HE LYS 14 -10.950 1.465 1.677 108 HZ1 LYS 14 3HZ LYS 14 -12.799 0.813 0.212 109 HZ2 LYS 14 1HZ LYS 14 -11.730 -0.097 -0.729 110 HZ3 LYS 14 2HZ LYS 14 -11.548 1.586 -0.625 111 H ARG 15 H ARG 15 -8.264 -2.349 -1.046 112 HA ARG 15 HA ARG 15 -11.068 -1.830 -1.563 113 HE ARG 15 HE ARG 15 -8.885 -3.415 -5.338 114 HB2 ARG 15 2HB ARG 15 -11.547 -3.926 -2.771 115 HB3 ARG 15 1HB ARG 15 -10.447 -2.930 -3.721 116 HG2 ARG 15 2HG ARG 15 -9.330 -5.067 -1.899 117 HG3 ARG 15 1HG ARG 15 -10.008 -5.530 -3.463 118 HD2 ARG 15 2HD ARG 15 -7.853 -3.415 -3.141 119 HD3 ARG 15 1HD ARG 15 -7.490 -5.132 -3.363 120 HH11 ARG 15 1HH1 ARG 15 -6.856 -6.198 -4.609 121 HH12 ARG 15 2HH1 ARG 15 -6.643 -6.615 -6.278 122 HH21 ARG 15 1HH2 ARG 15 -8.560 -3.967 -7.514 123 HH22 ARG 15 2HH2 ARG 15 -7.607 -5.353 -7.920 124 H ILE 16 H ILE 16 -12.406 -3.113 -0.246 125 HA ILE 16 HA ILE 16 -11.109 -4.974 1.656 126 HB ILE 16 HB ILE 16 -13.909 -3.731 1.701 127 HG12 ILE 16 2HG1 ILE 16 -11.541 -3.442 3.563 128 HG13 ILE 16 1HG1 ILE 16 -12.050 -2.224 2.397 129 HG21 ILE 16 1HG2 ILE 16 -14.261 -4.902 3.872 130 HG22 ILE 16 2HG2 ILE 16 -12.725 -5.747 3.671 131 HG23 ILE 16 3HG2 ILE 16 -14.050 -6.050 2.547 132 HD11 ILE 16 3HD1 ILE 16 -14.159 -1.957 3.667 133 HD12 ILE 16 1HD1 ILE 16 -12.725 -1.595 4.623 134 HD13 ILE 16 2HD1 ILE 16 -13.570 -3.125 4.855 135 H ARG 17 H ARG 17 -11.576 -7.106 1.576 136 HA ARG 17 HA ARG 17 -13.741 -8.065 -0.095 137 HE ARG 17 HE ARG 17 -13.012 -7.935 -3.331 138 HB2 ARG 17 2HB ARG 17 -11.633 -7.958 -1.520 139 HB3 ARG 17 1HB ARG 17 -10.909 -9.149 -0.449 140 HG2 ARG 17 2HG ARG 17 -11.790 -10.138 -2.556 141 HG3 ARG 17 1HG ARG 17 -12.546 -10.826 -1.116 142 HD2 ARG 17 2HD ARG 17 -14.151 -10.331 -3.001 143 HD3 ARG 17 1HD ARG 17 -14.561 -9.557 -1.467 144 HH11 ARG 17 1HH1 ARG 17 -16.253 -8.730 -2.200 145 HH12 ARG 17 2HH1 ARG 17 -16.931 -7.231 -2.754 146 HH21 ARG 17 1HH2 ARG 17 -13.929 -5.973 -4.012 147 HH22 ARG 17 2HH2 ARG 17 -15.621 -5.682 -3.781 148 H LYS 18 H LYS 18 -14.879 -9.253 1.220 149 HA LYS 18 HA LYS 18 -15.605 -10.831 2.635 150 HB2 LYS 18 2HB LYS 18 -12.891 -12.121 2.137 151 HB3 LYS 18 1HB LYS 18 -14.286 -12.928 2.856 152 HG2 LYS 18 2HG LYS 18 -15.557 -12.595 0.753 153 HG3 LYS 18 1HG LYS 18 -14.152 -11.791 0.041 154 HD2 LYS 18 2HD LYS 18 -12.843 -13.883 0.242 155 HD3 LYS 18 1HD LYS 18 -14.234 -14.688 0.983 156 HE2 LYS 18 2HE LYS 18 -15.536 -14.335 -1.097 157 HE3 LYS 18 1HE LYS 18 -14.134 -13.552 -1.838 158 HZ1 LYS 18 3HZ LYS 18 -14.254 -16.355 -0.877 159 HZ2 LYS 18 1HZ LYS 18 -12.911 -15.614 -1.584 160 HZ3 LYS 18 2HZ LYS 18 -14.314 -15.858 -2.493 161 H GLY 19 H GLY 19 -14.460 -8.507 3.726 162 HA2 GLY 19 2HA GLY 19 -14.345 -7.697 5.882 163 HA3 GLY 19 1HA GLY 19 -14.202 -9.340 6.486 164 H ARG 20 H ARG 20 -11.997 -8.516 3.988 165 HA ARG 20 HA ARG 20 -9.837 -7.798 5.877 166 HE ARG 20 HE ARG 20 -9.610 -13.142 6.359 167 HB2 ARG 20 2HB ARG 20 -9.588 -9.768 3.556 168 HB3 ARG 20 1HB ARG 20 -8.246 -9.147 4.520 169 HG2 ARG 20 2HG ARG 20 -9.257 -10.249 6.541 170 HG3 ARG 20 1HG ARG 20 -10.493 -10.950 5.486 171 HD2 ARG 20 2HD ARG 20 -8.712 -12.095 4.187 172 HD3 ARG 20 1HD ARG 20 -7.493 -11.397 5.264 173 HH11 ARG 20 1HH1 ARG 20 -6.187 -12.533 5.839 174 HH12 ARG 20 2HH1 ARG 20 -5.681 -13.934 6.726 175 HH21 ARG 20 1HH2 ARG 20 -8.917 -15.003 7.491 176 HH22 ARG 20 2HH2 ARG 20 -7.225 -15.333 7.653 177 H VAL 21 H VAL 21 -9.255 -5.810 5.337 178 HA VAL 21 HA VAL 21 -9.465 -4.794 2.621 179 HB VAL 21 HB VAL 21 -10.043 -3.313 4.509 180 HG11 VAL 21 1HG1 VAL 21 -8.337 -2.361 6.006 181 HG12 VAL 21 2HG1 VAL 21 -7.132 -3.457 5.326 182 HG13 VAL 21 3HG1 VAL 21 -8.506 -4.107 6.221 183 HG21 VAL 21 3HG2 VAL 21 -8.795 -1.310 3.770 184 HG22 VAL 21 1HG2 VAL 21 -9.311 -2.305 2.404 185 HG23 VAL 21 2HG2 VAL 21 -7.629 -2.346 2.943 186 H GLU 22 H GLU 22 -7.834 -4.675 1.206 187 HA GLU 22 HA GLU 22 -5.061 -5.299 2.035 188 HB2 GLU 22 2HB GLU 22 -4.791 -6.408 -0.221 189 HB3 GLU 22 1HB GLU 22 -5.934 -7.236 0.839 190 HG2 GLU 22 2HG GLU 22 -7.815 -6.167 -0.340 191 HG3 GLU 22 1HG GLU 22 -6.679 -5.332 -1.394 192 H TYR 23 H TYR 23 -3.451 -4.192 0.921 193 HA TYR 23 HA TYR 23 -4.240 -1.724 -0.515 194 HD1 TYR 23 1HD TYR 23 -5.385 -0.295 0.547 195 HD2 TYR 23 2HD TYR 23 -3.104 -1.404 3.987 196 HE1 TYR 23 1HE TYR 23 -7.121 0.610 2.005 197 HE2 TYR 23 2HE TYR 23 -4.868 -0.507 5.447 198 HH TYR 23 HH TYR 23 -6.688 1.249 5.241 199 HB2 TYR 23 2HB TYR 23 -2.291 -1.978 1.825 200 HB3 TYR 23 1HB TYR 23 -2.481 -0.526 0.846 201 H LEU 24 H LEU 24 -3.032 -1.392 -2.318 202 HA LEU 24 HA LEU 24 -0.817 -3.122 -2.969 203 HG LEU 24 HG LEU 24 0.468 -1.812 -5.235 204 HB2 LEU 24 2HB LEU 24 -2.506 -2.088 -4.647 205 HB3 LEU 24 1HB LEU 24 -1.611 -0.587 -4.463 206 HD11 LEU 24 1HD1 LEU 24 0.249 -3.957 -6.367 207 HD12 LEU 24 2HD1 LEU 24 -1.464 -4.034 -5.943 208 HD13 LEU 24 3HD1 LEU 24 -0.231 -4.100 -4.675 209 HD21 LEU 24 3HD2 LEU 24 -0.107 -1.825 -7.612 210 HD22 LEU 24 1HD2 LEU 24 -0.790 -0.417 -6.800 211 HD23 LEU 24 2HD2 LEU 24 -1.824 -1.786 -7.210 212 H VAL 25 H VAL 25 1.001 -2.808 -1.807 213 HA VAL 25 HA VAL 25 1.718 -0.190 -0.758 214 HB VAL 25 HB VAL 25 3.404 -1.354 0.602 215 HG11 VAL 25 1HG1 VAL 25 1.092 -1.264 1.448 216 HG12 VAL 25 2HG1 VAL 25 1.901 -2.732 1.994 217 HG13 VAL 25 3HG1 VAL 25 0.724 -2.813 0.679 218 HG21 VAL 25 3HG2 VAL 25 4.136 -3.112 -0.951 219 HG22 VAL 25 1HG2 VAL 25 2.574 -3.918 -0.821 220 HG23 VAL 25 2HG2 VAL 25 3.644 -3.832 0.580 221 H LYS 26 H LYS 26 3.013 1.116 -1.809 222 HA LYS 26 HA LYS 26 4.492 0.315 -4.138 223 HB2 LYS 26 2HB LYS 26 3.206 2.591 -3.655 224 HB3 LYS 26 1HB LYS 26 4.716 3.079 -2.902 225 HG2 LYS 26 2HG LYS 26 4.379 2.190 -5.797 226 HG3 LYS 26 1HG LYS 26 4.492 3.861 -5.247 227 HD2 LYS 26 2HD LYS 26 6.808 3.479 -4.491 228 HD3 LYS 26 1HD LYS 26 6.692 1.773 -4.937 229 HE2 LYS 26 2HE LYS 26 7.916 3.022 -6.646 230 HE3 LYS 26 1HE LYS 26 6.398 2.413 -7.306 231 HZ1 LYS 26 3HZ LYS 26 5.438 4.624 -6.953 232 HZ2 LYS 26 1HZ LYS 26 6.777 4.673 -7.989 233 HZ3 LYS 26 2HZ LYS 26 6.928 5.187 -6.387 234 H TRP 27 H TRP 27 6.100 -1.086 -3.380 235 HA TRP 27 HA TRP 27 7.903 -0.510 -1.278 236 HD1 TRP 27 HD TRP 27 6.575 -4.340 -3.419 237 HE1 TRP 27 1HE TRP 27 5.601 -5.672 -1.451 238 HE3 TRP 27 3HE TRP 27 8.606 -1.702 0.467 239 HZ2 TRP 27 2HZ TRP 27 5.675 -5.622 1.339 240 HZ3 TRP 27 3HZ TRP 27 8.079 -2.408 2.764 241 HH2 TRP 27 HH TRP 27 6.639 -4.333 3.189 242 HB2 TRP 27 2HB TRP 27 8.173 -2.345 -3.700 243 HB3 TRP 27 1HB TRP 27 9.352 -2.281 -2.395 244 H ARG 28 H ARG 28 9.621 0.809 -1.193 245 HA ARG 28 HA ARG 28 10.142 2.757 -3.169 246 HE ARG 28 HE ARG 28 13.404 0.639 1.444 247 HB2 ARG 28 2HB ARG 28 11.982 3.507 -1.698 248 HB3 ARG 28 1HB ARG 28 10.513 3.197 -0.781 249 HG2 ARG 28 2HG ARG 28 11.404 1.096 0.062 250 HG3 ARG 28 1HG ARG 28 12.821 1.233 -0.978 251 HD2 ARG 28 2HD ARG 28 13.507 3.272 0.284 252 HD3 ARG 28 1HD ARG 28 12.124 3.034 1.365 253 HH11 ARG 28 1HH1 ARG 28 14.490 3.913 2.081 254 HH12 ARG 28 2HH1 ARG 28 15.713 3.405 3.197 255 HH21 ARG 28 1HH2 ARG 28 14.999 -0.009 2.859 256 HH22 ARG 28 2HH2 ARG 28 16.024 1.164 3.614 257 H GLY 29 H GLY 29 11.664 2.903 -4.766 258 HA2 GLY 29 2HA GLY 29 13.402 2.355 -6.181 259 HA3 GLY 29 1HA GLY 29 13.974 1.189 -5.002 260 H TRP 30 H TRP 30 10.740 0.572 -5.600 261 HA TRP 30 HA TRP 30 11.335 -1.445 -7.682 262 HD1 TRP 30 HD TRP 30 11.100 -1.940 -3.373 263 HE1 TRP 30 1HE TRP 30 12.848 -3.746 -2.854 264 HE3 TRP 30 3HE TRP 30 11.214 -4.298 -7.904 265 HZ2 TRP 30 2HZ TRP 30 14.124 -5.872 -4.176 266 HZ3 TRP 30 3HZ TRP 30 12.733 -6.205 -8.199 267 HH2 TRP 30 HH TRP 30 14.163 -6.981 -6.374 268 HB2 TRP 30 2HB TRP 30 9.374 -1.570 -5.347 269 HB3 TRP 30 1HB TRP 30 9.408 -2.740 -6.662 270 H SER 31 H SER 31 9.843 -1.755 -9.299 271 HA SER 31 HA SER 31 8.321 0.494 -10.187 272 HG SER 31 HG SER 31 10.165 -0.159 -11.601 273 HB2 SER 31 2HB SER 31 8.416 -2.356 -11.285 274 HB3 SER 31 1HB SER 31 7.880 -0.922 -12.168 275 HA PRO 32 HA PRO 32 4.150 -0.236 -8.605 276 HB2 PRO 32 2HB PRO 32 2.630 -0.195 -11.005 277 HB3 PRO 32 1HB PRO 32 3.063 1.209 -10.023 278 HG2 PRO 32 2HG PRO 32 4.417 0.103 -12.471 279 HG3 PRO 32 1HG PRO 32 4.121 1.796 -12.024 280 HD2 PRO 32 2HD PRO 32 6.553 0.742 -11.739 281 HD3 PRO 32 1HD PRO 32 5.911 1.823 -10.476 282 H LYS 33 H LYS 33 5.234 -2.328 -11.241 283 HA LYS 33 HA LYS 33 3.263 -4.374 -10.924 284 HB2 LYS 33 2HB LYS 33 4.770 -5.753 -12.328 285 HB3 LYS 33 1HB LYS 33 4.511 -4.149 -13.006 286 HG2 LYS 33 2HG LYS 33 6.743 -3.457 -12.061 287 HG3 LYS 33 1HG LYS 33 7.006 -5.135 -11.570 288 HD2 LYS 33 2HD LYS 33 6.575 -4.168 -14.434 289 HD3 LYS 33 1HD LYS 33 8.136 -4.582 -13.719 290 HE2 LYS 33 2HE LYS 33 5.822 -6.530 -14.038 291 HE3 LYS 33 1HE LYS 33 7.176 -6.389 -15.160 292 HZ1 LYS 33 3HZ LYS 33 7.407 -8.192 -13.511 293 HZ2 LYS 33 1HZ LYS 33 7.478 -7.031 -12.282 294 HZ3 LYS 33 2HZ LYS 33 8.682 -7.080 -13.471 295 H TYR 34 H TYR 34 6.270 -3.684 -9.272 296 HA TYR 34 HA TYR 34 6.441 -6.267 -7.917 297 HD1 TYR 34 2HD TYR 34 8.844 -7.388 -8.103 298 HD2 TYR 34 1HD TYR 34 9.085 -3.516 -9.895 299 HE1 TYR 34 2HE TYR 34 10.177 -8.320 -9.932 300 HE2 TYR 34 1HE TYR 34 10.423 -4.457 -11.733 301 HH TYR 34 HH TYR 34 11.884 -6.404 -12.132 302 HB2 TYR 34 2HB TYR 34 8.125 -3.736 -7.711 303 HB3 TYR 34 1HB TYR 34 8.443 -5.199 -6.780 304 H ASN 35 H ASN 35 4.523 -3.650 -7.485 305 HA ASN 35 HA ASN 35 4.551 -3.343 -4.620 306 HB2 ASN 35 2HB ASN 35 2.501 -2.598 -6.750 307 HB3 ASN 35 1HB ASN 35 2.350 -2.167 -5.052 308 HD21 ASN 35 1HD2 ASN 35 5.585 -2.016 -6.341 309 HD22 ASN 35 2HD2 ASN 35 5.630 -0.307 -6.513 310 H THR 36 H THR 36 3.343 -4.497 -3.110 311 HA THR 36 HA THR 36 1.869 -6.878 -4.110 312 HB THR 36 HB THR 36 2.541 -7.958 -1.926 313 HG1 THR 36 1HG THR 36 3.390 -6.708 -0.456 314 HG21 THR 36 3HG2 THR 36 4.899 -8.385 -2.540 315 HG22 THR 36 1HG2 THR 36 4.868 -6.996 -3.628 316 HG23 THR 36 2HG2 THR 36 3.862 -8.406 -3.969 317 H TRP 37 H TRP 37 -0.095 -7.434 -3.180 318 HA TRP 37 HA TRP 37 -1.601 -5.425 -1.751 319 HD1 TRP 37 HD TRP 37 -1.970 -7.984 -5.211 320 HE1 TRP 37 1HE TRP 37 -2.939 -6.373 -6.962 321 HE3 TRP 37 3HE TRP 37 -4.212 -4.620 -2.085 322 HZ2 TRP 37 2HZ TRP 37 -4.415 -3.986 -7.021 323 HZ3 TRP 37 3HZ TRP 37 -5.367 -2.684 -3.068 324 HH2 TRP 37 HH TRP 37 -5.466 -2.388 -5.487 325 HB2 TRP 37 2HB TRP 37 -2.312 -8.268 -2.595 326 HB3 TRP 37 1HB TRP 37 -3.443 -7.155 -1.827 327 H GLU 38 H GLU 38 -1.197 -5.109 0.327 328 HA GLU 38 HA GLU 38 -0.910 -7.397 2.174 329 HB2 GLU 38 2HB GLU 38 0.561 -4.731 2.361 330 HB3 GLU 38 1HB GLU 38 0.740 -6.106 3.450 331 HG2 GLU 38 2HG GLU 38 1.518 -7.423 1.390 332 HG3 GLU 38 1HG GLU 38 1.632 -5.867 0.571 333 HA PRO 39 HA PRO 39 -4.448 -5.674 4.226 334 HB2 PRO 39 2HB PRO 39 -4.105 -6.703 6.777 335 HB3 PRO 39 1HB PRO 39 -4.652 -7.648 5.393 336 HG2 PRO 39 2HG PRO 39 -1.876 -7.401 6.533 337 HG3 PRO 39 1HG PRO 39 -2.749 -8.870 6.039 338 HD2 PRO 39 2HD PRO 39 -0.905 -7.751 4.437 339 HD3 PRO 39 1HD PRO 39 -2.383 -8.470 3.755 340 H GLU 40 H GLU 40 -5.125 -4.602 6.326 341 HA GLU 40 HA GLU 40 -3.991 -2.064 6.614 342 HB2 GLU 40 2HB GLU 40 -5.545 -1.791 8.530 343 HB3 GLU 40 1HB GLU 40 -6.334 -2.505 7.137 344 HG2 GLU 40 2HG GLU 40 -6.171 -4.747 8.172 345 HG3 GLU 40 1HG GLU 40 -5.368 -4.042 9.573 346 H GLU 41 H GLU 41 -3.415 -5.025 8.417 347 HA GLU 41 HA GLU 41 -2.109 -3.883 10.683 348 HB2 GLU 41 2HB GLU 41 -1.489 -6.196 11.249 349 HB3 GLU 41 1HB GLU 41 -3.176 -6.108 10.757 350 HG2 GLU 41 2HG GLU 41 -2.525 -6.936 8.497 351 HG3 GLU 41 1HG GLU 41 -0.866 -7.104 9.063 352 H ASN 42 H ASN 42 -1.044 -4.580 7.451 353 HA ASN 42 HA ASN 42 1.804 -4.422 8.074 354 HB2 ASN 42 2HB ASN 42 0.306 -4.435 5.424 355 HB3 ASN 42 1HB ASN 42 2.063 -4.388 5.561 356 HD21 ASN 42 1HD2 ASN 42 2.465 -6.343 4.635 357 HD22 ASN 42 2HD2 ASN 42 1.955 -7.858 5.285 358 H ILE 43 H ILE 43 -0.784 -2.241 7.289 359 HA ILE 43 HA ILE 43 1.055 0.009 6.800 360 HB ILE 43 HB ILE 43 -1.970 -0.135 6.442 361 HG12 ILE 43 2HG1 ILE 43 -0.816 -1.564 4.801 362 HG13 ILE 43 1HG1 ILE 43 -1.488 -0.153 3.996 363 HG21 ILE 43 1HG2 ILE 43 -1.284 2.168 6.932 364 HG22 ILE 43 2HG2 ILE 43 -1.747 2.033 5.237 365 HG23 ILE 43 3HG2 ILE 43 -0.040 2.096 5.680 366 HD11 ILE 43 3HD1 ILE 43 0.690 -0.726 3.132 367 HD12 ILE 43 1HD1 ILE 43 1.411 -0.558 4.729 368 HD13 ILE 43 2HD1 ILE 43 0.739 0.854 3.906 369 H LEU 44 H LEU 44 1.755 0.116 9.000 370 HA LEU 44 HA LEU 44 -0.098 1.625 10.755 371 HG LEU 44 HG LEU 44 0.934 -0.825 13.402 372 HB2 LEU 44 2HB LEU 44 2.256 -0.167 11.403 373 HB3 LEU 44 1HB LEU 44 1.915 1.178 12.469 374 HD11 LEU 44 1HD1 LEU 44 -1.277 0.914 12.285 375 HD12 LEU 44 2HD1 LEU 44 -0.313 1.254 13.724 376 HD13 LEU 44 3HD1 LEU 44 -1.381 -0.146 13.695 377 HD21 LEU 44 3HD2 LEU 44 -0.781 -2.158 12.270 378 HD22 LEU 44 1HD2 LEU 44 0.735 -2.168 11.369 379 HD23 LEU 44 2HD2 LEU 44 -0.612 -1.170 10.815 380 H ASP 45 H ASP 45 0.308 3.308 9.130 381 HA ASP 45 HA ASP 45 2.237 5.197 10.098 382 HB2 ASP 45 2HB ASP 45 3.725 3.961 8.603 383 HB3 ASP 45 1HB ASP 45 2.573 4.078 7.280 384 HA PRO 46 HA PRO 46 -1.426 7.479 8.954 385 HB2 PRO 46 2HB PRO 46 -0.629 10.028 9.554 386 HB3 PRO 46 1HB PRO 46 -0.946 8.812 10.802 387 HG2 PRO 46 2HG PRO 46 1.706 9.616 9.581 388 HG3 PRO 46 1HG PRO 46 1.287 9.440 11.299 389 HD2 PRO 46 2HD PRO 46 2.579 7.481 9.952 390 HD3 PRO 46 1HD PRO 46 1.378 7.095 11.210 391 H ARG 47 H ARG 47 1.643 8.180 7.393 392 HA ARG 47 HA ARG 47 0.723 10.141 5.495 393 HE ARG 47 HE ARG 47 5.155 11.252 4.787 394 HB2 ARG 47 2HB ARG 47 3.111 8.277 5.184 395 HB3 ARG 47 1HB ARG 47 2.872 9.838 4.401 396 HG2 ARG 47 2HG ARG 47 3.257 11.015 6.464 397 HG3 ARG 47 1HG ARG 47 3.189 9.517 7.402 398 HD2 ARG 47 2HD ARG 47 5.513 10.271 7.111 399 HD3 ARG 47 1HD ARG 47 5.249 8.718 6.310 400 HH11 ARG 47 1HH1 ARG 47 6.566 8.058 5.205 401 HH12 ARG 47 2HH1 ARG 47 7.533 8.169 3.774 402 HH21 ARG 47 1HH2 ARG 47 6.420 11.371 2.908 403 HH22 ARG 47 2HH2 ARG 47 7.461 10.053 2.480 404 H LEU 48 H LEU 48 1.264 6.648 5.461 405 HA LEU 48 HA LEU 48 0.431 6.055 2.820 406 HG LEU 48 HG LEU 48 2.614 4.992 4.951 407 HB2 LEU 48 2HB LEU 48 0.261 4.307 5.310 408 HB3 LEU 48 1HB LEU 48 0.165 3.730 3.651 409 HD11 LEU 48 1HD1 LEU 48 3.623 2.772 4.863 410 HD12 LEU 48 2HD1 LEU 48 2.133 2.092 4.204 411 HD13 LEU 48 3HD1 LEU 48 2.155 2.758 5.839 412 HD21 LEU 48 3HD2 LEU 48 3.812 4.359 2.901 413 HD22 LEU 48 1HD2 LEU 48 2.531 5.525 2.582 414 HD23 LEU 48 2HD2 LEU 48 2.296 3.823 2.172 415 H LEU 49 H LEU 49 -1.323 6.516 5.843 416 HA LEU 49 HA LEU 49 -3.902 5.653 4.924 417 HG LEU 49 HG LEU 49 -2.181 5.164 7.587 418 HB2 LEU 49 2HB LEU 49 -3.144 7.412 7.288 419 HB3 LEU 49 1HB LEU 49 -4.741 6.720 7.021 420 HD11 LEU 49 1HD1 LEU 49 -4.624 5.601 9.331 421 HD12 LEU 49 2HD1 LEU 49 -3.023 6.313 9.560 422 HD13 LEU 49 3HD1 LEU 49 -3.237 4.573 9.716 423 HD21 LEU 49 3HD2 LEU 49 -4.991 4.112 7.115 424 HD22 LEU 49 1HD2 LEU 49 -3.615 3.154 7.681 425 HD23 LEU 49 2HD2 LEU 49 -3.582 3.876 6.076 426 H ILE 50 H ILE 50 -2.181 8.751 4.899 427 HA ILE 50 HA ILE 50 -4.338 10.405 4.028 428 HB ILE 50 HB ILE 50 -1.332 10.675 3.538 429 HG12 ILE 50 2HG1 ILE 50 -3.103 12.138 5.551 430 HG13 ILE 50 1HG1 ILE 50 -2.081 10.763 5.941 431 HG21 ILE 50 1HG2 ILE 50 -2.521 11.950 1.811 432 HG22 ILE 50 2HG2 ILE 50 -1.739 13.046 2.951 433 HG23 ILE 50 3HG2 ILE 50 -3.480 12.771 3.047 434 HD11 ILE 50 3HD1 ILE 50 -1.062 12.840 6.631 435 HD12 ILE 50 1HD1 ILE 50 -1.123 13.455 4.980 436 HD13 ILE 50 2HD1 ILE 50 -0.096 12.073 5.372 437 H ALA 51 H ALA 51 -1.806 8.581 2.295 438 HA ALA 51 HA ALA 51 -2.590 8.995 -0.352 439 HB1 ALA 51 1HB ALA 51 -0.471 7.891 0.277 440 HB2 ALA 51 2HB ALA 51 -1.374 6.911 -0.879 441 HB3 ALA 51 3HB ALA 51 -1.359 6.470 0.834 442 H PHE 52 H PHE 52 -3.659 6.503 1.954 443 HA PHE 52 HA PHE 52 -5.401 4.970 0.425 444 HD1 PHE 52 2HD PHE 52 -7.070 2.859 1.716 445 HD2 PHE 52 1HD PHE 52 -7.156 6.085 4.521 446 HE1 PHE 52 2HE PHE 52 -9.313 2.194 2.449 447 HE2 PHE 52 1HE PHE 52 -9.407 5.399 5.231 448 HZ PHE 52 HZ PHE 52 -10.489 3.452 4.188 449 HB2 PHE 52 2HB PHE 52 -4.930 4.079 2.544 450 HB3 PHE 52 1HB PHE 52 -5.139 5.616 3.361 451 H GLN 53 H GLN 53 -6.195 7.862 2.393 452 HA GLN 53 HA GLN 53 -8.952 8.026 1.826 453 HB2 GLN 53 2HB GLN 53 -7.002 10.262 2.522 454 HB3 GLN 53 1HB GLN 53 -8.752 10.454 2.506 455 HG2 GLN 53 2HG GLN 53 -7.194 8.604 4.339 456 HG3 GLN 53 1HG GLN 53 -7.844 10.179 4.786 457 HE21 GLN 53 1HE2 GLN 53 -8.394 7.626 6.009 458 HE22 GLN 53 2HE2 GLN 53 -10.089 7.334 5.854 459 H ASN 54 H ASN 54 -6.161 9.219 0.061 460 HA ASN 54 HA ASN 54 -7.545 10.829 -1.858 461 HB2 ASN 54 2HB ASN 54 -4.757 9.595 -1.892 462 HB3 ASN 54 1HB ASN 54 -5.340 10.723 -3.111 463 HD21 ASN 54 1HD2 ASN 54 -3.124 10.911 -1.134 464 HD22 ASN 54 2HD2 ASN 54 -3.400 12.387 -0.283 465 H ARG 55 H ARG 55 -6.569 7.420 -1.718 466 HA ARG 55 HA ARG 55 -7.156 6.851 -4.487 467 HE ARG 55 HE ARG 55 -4.833 5.132 -5.523 468 HB2 ARG 55 2HB ARG 55 -6.992 4.729 -2.311 469 HB3 ARG 55 1HB ARG 55 -6.716 4.538 -4.035 470 HG2 ARG 55 2HG ARG 55 -4.892 5.699 -1.936 471 HG3 ARG 55 1HG ARG 55 -4.573 4.404 -3.087 472 HD2 ARG 55 2HD ARG 55 -4.859 7.353 -3.783 473 HD3 ARG 55 1HD ARG 55 -3.333 6.485 -3.616 474 HH11 ARG 55 1HH1 ARG 55 -3.525 8.381 -5.210 475 HH12 ARG 55 2HH1 ARG 55 -3.152 8.514 -6.893 476 HH21 ARG 55 1HH2 ARG 55 -4.308 5.313 -7.713 477 HH22 ARG 55 2HH2 ARG 55 -3.591 6.770 -8.313 478 H GLU 56 H GLU 56 -8.987 7.078 -1.604 479 HA GLU 56 HA GLU 56 -11.298 5.575 -2.457 480 HB2 GLU 56 2HB GLU 56 -10.810 7.518 -0.164 481 HB3 GLU 56 1HB GLU 56 -12.321 6.643 -0.397 482 HG2 GLU 56 2HG GLU 56 -9.616 5.310 0.025 483 HG3 GLU 56 1HG GLU 56 -10.797 5.620 1.302 484 H ARG 57 H ARG 57 -10.079 8.652 -3.234 485 HA ARG 57 HA ARG 57 -12.743 9.712 -4.012 486 HE ARG 57 HE ARG 57 -12.305 11.499 0.829 487 HB2 ARG 57 2HB ARG 57 -10.230 11.197 -3.108 488 HB3 ARG 57 1HB ARG 57 -11.702 11.980 -3.694 489 HG2 ARG 57 2HG ARG 57 -12.973 11.065 -1.794 490 HG3 ARG 57 1HG ARG 57 -11.537 10.203 -1.231 491 HD2 ARG 57 2HD ARG 57 -10.394 12.316 -0.793 492 HD3 ARG 57 1HD ARG 57 -11.749 13.223 -1.474 493 HH11 ARG 57 1HH1 ARG 57 -11.770 14.775 -0.352 494 HH12 ARG 57 2HH1 ARG 57 -12.429 15.515 1.070 495 HH21 ARG 57 1HH2 ARG 57 -13.161 12.498 2.684 496 HH22 ARG 57 2HH2 ARG 57 -13.197 14.227 2.795 497 H GLN 58 H GLN 58 -10.491 8.060 -5.450 498 HA GLN 58 HA GLN 58 -9.424 9.555 -7.576 499 HB2 GLN 58 2HB GLN 58 -10.218 6.609 -7.477 500 HB3 GLN 58 1HB GLN 58 -9.310 7.331 -8.803 501 HG2 GLN 58 2HG GLN 58 -8.406 7.184 -5.923 502 HG3 GLN 58 1HG GLN 58 -7.856 6.130 -7.230 503 HE21 GLN 58 1HE2 GLN 58 -6.505 7.018 -8.853 504 HE22 GLN 58 2HE2 GLN 58 -5.619 8.472 -8.582 505 H GLU 59 H GLU 59 -12.598 8.098 -7.151 506 HA GLU 59 HA GLU 59 -13.530 9.426 -9.633 507 HB2 GLU 59 2HB GLU 59 -15.140 7.599 -9.952 508 HB3 GLU 59 1HB GLU 59 -13.498 6.963 -9.912 509 HG2 GLU 59 2HG GLU 59 -13.855 6.308 -7.529 510 HG3 GLU 59 1HG GLU 59 -15.529 6.838 -7.662 511 H GLN 60 H GLN 60 -15.843 10.018 -9.537 512 HA GLN 60 HA GLN 60 -16.850 10.633 -6.816 513 HB2 GLN 60 2HB GLN 60 -16.806 12.499 -9.234 514 HB3 GLN 60 1HB GLN 60 -17.684 12.827 -7.742 515 HG2 GLN 60 2HG GLN 60 -15.594 12.904 -6.485 516 HG3 GLN 60 1HG GLN 60 -14.680 12.460 -7.924 517 HE21 GLN 60 1HE2 GLN 60 -14.361 13.994 -9.544 518 HE22 GLN 60 2HE2 GLN 60 -14.633 15.680 -9.292 Start of MODEL 14 1 H1 GLY 1 1HT GLY 1 26.334 -1.052 4.830 2 H2 GLY 1 2HT GLY 1 24.743 -0.541 4.576 3 H3 GLY 1 3HT GLY 1 25.638 -1.186 3.296 4 HA2 GLY 1 1HA GLY 1 25.704 -3.340 4.342 5 HA3 GLY 1 2HA GLY 1 24.850 -2.686 5.730 6 H SER 2 H SER 2 23.558 -1.185 3.081 7 HA SER 2 HA SER 2 21.570 -3.211 2.409 8 HG SER 2 HG SER 2 21.117 -3.157 4.683 9 HB2 SER 2 2HB SER 2 20.800 -0.579 3.756 10 HB3 SER 2 1HB SER 2 19.667 -1.741 3.057 11 H GLU 3 H GLU 3 21.971 -3.130 0.260 12 HA GLU 3 HA GLU 3 22.346 -0.653 -1.208 13 HB2 GLU 3 2HB GLU 3 23.599 -2.721 -1.814 14 HB3 GLU 3 1HB GLU 3 22.090 -3.518 -2.227 15 HG2 GLU 3 2HG GLU 3 23.218 -2.804 -4.250 16 HG3 GLU 3 1HG GLU 3 21.726 -1.890 -4.056 17 H HIS 4 H HIS 4 19.889 -3.214 -0.992 18 HA HIS 4 HA HIS 4 17.928 -1.531 -2.459 19 HD1 HIS 4 1HD HIS 4 19.580 -5.535 -4.171 20 HD2 HIS 4 2HD HIS 4 18.614 -1.568 -4.953 21 HE1 HIS 4 1HE HIS 4 20.904 -4.918 -6.213 22 HE2 HIS 4 2HE HIS 4 20.136 -2.587 -6.776 23 HB2 HIS 4 2HB HIS 4 18.128 -4.577 -2.410 24 HB3 HIS 4 1HB HIS 4 16.898 -3.643 -3.255 25 H VAL 5 H VAL 5 17.047 -0.580 -0.671 26 HA VAL 5 HA VAL 5 16.207 -2.103 1.650 27 HB VAL 5 HB VAL 5 15.514 0.072 2.601 28 HG11 VAL 5 1HG1 VAL 5 18.284 0.182 1.333 29 HG12 VAL 5 2HG1 VAL 5 17.863 -0.619 2.850 30 HG13 VAL 5 3HG1 VAL 5 17.748 1.136 2.720 31 HG21 VAL 5 3HG2 VAL 5 15.917 2.217 1.386 32 HG22 VAL 5 1HG2 VAL 5 14.688 1.231 0.587 33 HG23 VAL 5 2HG2 VAL 5 16.321 1.308 -0.074 34 H PHE 6 H PHE 6 14.209 -2.837 2.035 35 HA PHE 6 HA PHE 6 11.964 -2.217 0.256 36 HD1 PHE 6 2HD PHE 6 14.315 -5.213 1.268 37 HD2 PHE 6 1HD PHE 6 10.465 -4.951 -0.590 38 HE1 PHE 6 2HE PHE 6 15.022 -6.833 -0.445 39 HE2 PHE 6 1HE PHE 6 11.182 -6.574 -2.292 40 HZ PHE 6 HZ PHE 6 13.457 -7.515 -2.223 41 HB2 PHE 6 2HB PHE 6 12.303 -4.275 2.482 42 HB3 PHE 6 1HB PHE 6 10.798 -4.026 1.608 43 H ALA 7 H ALA 7 11.153 -0.282 0.811 44 HA ALA 7 HA ALA 7 9.921 0.004 3.482 45 HB1 ALA 7 1HB ALA 7 11.945 1.435 3.468 46 HB2 ALA 7 2HB ALA 7 10.482 2.419 3.496 47 HB3 ALA 7 3HB ALA 7 11.391 2.231 1.993 48 H VAL 8 H VAL 8 7.774 0.406 3.274 49 HA VAL 8 HA VAL 8 6.535 0.605 0.715 50 HB VAL 8 HB VAL 8 5.280 1.101 3.453 51 HG11 VAL 8 1HG1 VAL 8 3.914 0.514 0.782 52 HG12 VAL 8 2HG1 VAL 8 3.865 2.051 1.649 53 HG13 VAL 8 3HG1 VAL 8 3.096 0.624 2.345 54 HG21 VAL 8 3HG2 VAL 8 6.248 -1.157 3.289 55 HG22 VAL 8 1HG2 VAL 8 5.344 -1.446 1.798 56 HG23 VAL 8 2HG2 VAL 8 4.485 -1.228 3.325 57 H GLU 9 H GLU 9 5.506 2.325 -0.213 58 HA GLU 9 HA GLU 9 6.662 4.974 0.345 59 HB2 GLU 9 2HB GLU 9 7.234 3.979 -1.854 60 HB3 GLU 9 1HB GLU 9 5.531 3.755 -2.219 61 HG2 GLU 9 2HG GLU 9 6.316 5.634 -3.472 62 HG3 GLU 9 1HG GLU 9 5.232 6.233 -2.216 63 H SER 10 H SER 10 3.731 3.510 -1.052 64 HA SER 10 HA SER 10 1.899 5.196 0.424 65 HG SER 10 HG SER 10 3.054 7.002 -0.493 66 HB2 SER 10 2HB SER 10 2.181 5.494 -2.609 67 HB3 SER 10 1HB SER 10 0.862 6.171 -1.657 68 H ILE 11 H ILE 11 -0.338 4.594 0.010 69 HA ILE 11 HA ILE 11 -0.808 1.878 -0.933 70 HB ILE 11 HB ILE 11 -2.697 4.043 0.106 71 HG12 ILE 11 2HG1 ILE 11 -1.764 1.453 1.434 72 HG13 ILE 11 1HG1 ILE 11 -1.071 3.043 1.761 73 HG21 ILE 11 1HG2 ILE 11 -4.461 2.293 0.209 74 HG22 ILE 11 2HG2 ILE 11 -3.380 1.156 -0.599 75 HG23 ILE 11 3HG2 ILE 11 -3.940 2.595 -1.452 76 HD11 ILE 11 3HD1 ILE 11 -2.740 2.191 3.413 77 HD12 ILE 11 1HD1 ILE 11 -3.980 2.412 2.190 78 HD13 ILE 11 2HD1 ILE 11 -3.054 3.799 2.774 79 H GLU 12 H GLU 12 -1.601 1.374 -2.912 80 HA GLU 12 HA GLU 12 -1.762 3.469 -4.954 81 HB2 GLU 12 2HB GLU 12 -1.404 0.454 -5.171 82 HB3 GLU 12 1HB GLU 12 -1.498 1.542 -6.555 83 HG2 GLU 12 2HG GLU 12 0.634 1.677 -4.394 84 HG3 GLU 12 1HG GLU 12 0.819 0.847 -5.941 85 H LYS 13 H LYS 13 -3.383 0.388 -4.179 86 HA LYS 13 HA LYS 13 -5.965 1.524 -5.056 87 HB2 LYS 13 2HB LYS 13 -4.913 -1.292 -5.589 88 HB3 LYS 13 1HB LYS 13 -6.575 -0.777 -5.885 89 HG2 LYS 13 2HG LYS 13 -5.691 0.910 -7.534 90 HG3 LYS 13 1HG LYS 13 -4.074 0.234 -7.299 91 HD2 LYS 13 2HD LYS 13 -6.494 -1.311 -8.327 92 HD3 LYS 13 1HD LYS 13 -5.215 -0.641 -9.341 93 HE2 LYS 13 2HE LYS 13 -3.580 -2.119 -8.280 94 HE3 LYS 13 1HE LYS 13 -4.823 -2.749 -7.199 95 HZ1 LYS 13 3HZ LYS 13 -5.983 -3.640 -9.080 96 HZ2 LYS 13 1HZ LYS 13 -4.387 -4.203 -9.067 97 HZ3 LYS 13 2HZ LYS 13 -4.845 -2.982 -10.146 98 H LYS 14 H LYS 14 -7.783 0.622 -4.087 99 HA LYS 14 HA LYS 14 -7.472 -0.564 -1.384 100 HB2 LYS 14 2HB LYS 14 -8.138 1.663 -0.955 101 HB3 LYS 14 1HB LYS 14 -9.063 1.792 -2.438 102 HG2 LYS 14 2HG LYS 14 -10.574 1.888 -0.574 103 HG3 LYS 14 1HG LYS 14 -10.844 0.379 -1.448 104 HD2 LYS 14 2HD LYS 14 -9.515 -0.825 0.289 105 HD3 LYS 14 1HD LYS 14 -9.330 0.698 1.171 106 HE2 LYS 14 2HE LYS 14 -11.954 -0.725 0.576 107 HE3 LYS 14 1HE LYS 14 -11.133 -0.648 2.138 108 HZ1 LYS 14 3HZ LYS 14 -12.148 1.722 0.660 109 HZ2 LYS 14 1HZ LYS 14 -11.474 1.713 2.206 110 HZ3 LYS 14 2HZ LYS 14 -12.961 0.959 1.930 111 H ARG 15 H ARG 15 -8.653 -2.422 -1.077 112 HA ARG 15 HA ARG 15 -11.338 -2.578 -2.034 113 HE ARG 15 HE ARG 15 -7.462 -7.055 -3.599 114 HB2 ARG 15 2HB ARG 15 -11.151 -4.802 -3.169 115 HB3 ARG 15 1HB ARG 15 -10.412 -3.479 -4.041 116 HG2 ARG 15 2HG ARG 15 -8.989 -5.349 -4.321 117 HG3 ARG 15 1HG ARG 15 -8.165 -4.261 -3.218 118 HD2 ARG 15 2HD ARG 15 -8.264 -5.721 -1.465 119 HD3 ARG 15 1HD ARG 15 -9.814 -6.406 -1.969 120 HH11 ARG 15 1HH1 ARG 15 -9.639 -8.153 -1.070 121 HH12 ARG 15 2HH1 ARG 15 -9.386 -9.835 -1.418 122 HH21 ARG 15 1HH2 ARG 15 -7.160 -9.272 -4.041 123 HH22 ARG 15 2HH2 ARG 15 -7.999 -10.460 -3.099 124 H ILE 16 H ILE 16 -12.512 -4.452 -1.216 125 HA ILE 16 HA ILE 16 -11.327 -5.804 1.130 126 HB ILE 16 HB ILE 16 -14.024 -4.368 1.059 127 HG12 ILE 16 2HG1 ILE 16 -11.702 -4.206 3.009 128 HG13 ILE 16 1HG1 ILE 16 -12.029 -3.021 1.744 129 HG21 ILE 16 1HG2 ILE 16 -14.543 -5.367 3.280 130 HG22 ILE 16 2HG2 ILE 16 -13.102 -6.380 3.160 131 HG23 ILE 16 3HG2 ILE 16 -14.433 -6.601 2.022 132 HD11 ILE 16 3HD1 ILE 16 -14.155 -2.463 2.860 133 HD12 ILE 16 1HD1 ILE 16 -12.753 -2.195 3.896 134 HD13 ILE 16 2HD1 ILE 16 -13.768 -3.617 4.139 135 H ARG 17 H ARG 17 -11.572 -7.917 0.974 136 HA ARG 17 HA ARG 17 -14.043 -9.099 -0.053 137 HE ARG 17 HE ARG 17 -12.423 -7.955 -4.862 138 HB2 ARG 17 2HB ARG 17 -11.292 -9.924 -1.106 139 HB3 ARG 17 1HB ARG 17 -12.762 -10.866 -1.340 140 HG2 ARG 17 2HG ARG 17 -13.746 -9.012 -2.642 141 HG3 ARG 17 1HG ARG 17 -12.269 -8.073 -2.414 142 HD2 ARG 17 2HD ARG 17 -10.997 -9.810 -3.644 143 HD3 ARG 17 1HD ARG 17 -12.496 -10.721 -3.887 144 HH11 ARG 17 1HH1 ARG 17 -12.268 -11.369 -5.698 145 HH12 ARG 17 2HH1 ARG 17 -12.550 -11.082 -7.381 146 HH21 ARG 17 1HH2 ARG 17 -12.759 -7.611 -7.067 147 HH22 ARG 17 2HH2 ARG 17 -12.844 -8.960 -8.150 148 H LYS 18 H LYS 18 -14.545 -11.090 0.937 149 HA LYS 18 HA LYS 18 -14.584 -12.753 2.482 150 HB2 LYS 18 2HB LYS 18 -12.512 -13.492 1.294 151 HB3 LYS 18 1HB LYS 18 -11.535 -12.524 2.382 152 HG2 LYS 18 2HG LYS 18 -11.470 -14.943 2.906 153 HG3 LYS 18 1HG LYS 18 -12.071 -13.972 4.251 154 HD2 LYS 18 2HD LYS 18 -14.382 -14.630 3.723 155 HD3 LYS 18 1HD LYS 18 -13.820 -15.540 2.315 156 HE2 LYS 18 2HE LYS 18 -12.585 -17.083 3.783 157 HE3 LYS 18 1HE LYS 18 -13.062 -16.138 5.199 158 HZ1 LYS 18 3HZ LYS 18 -14.431 -18.102 4.877 159 HZ2 LYS 18 1HZ LYS 18 -14.939 -17.527 3.378 160 HZ3 LYS 18 2HZ LYS 18 -15.344 -16.686 4.786 161 H GLY 19 H GLY 19 -14.692 -9.924 3.279 162 HA2 GLY 19 2HA GLY 19 -14.779 -8.589 5.149 163 HA3 GLY 19 1HA GLY 19 -14.626 -10.054 6.107 164 H ARG 20 H ARG 20 -12.229 -9.219 3.771 165 HA ARG 20 HA ARG 20 -10.233 -8.529 5.840 166 HE ARG 20 HE ARG 20 -9.718 -13.382 6.064 167 HB2 ARG 20 2HB ARG 20 -9.709 -9.805 3.101 168 HB3 ARG 20 1HB ARG 20 -8.511 -9.477 4.350 169 HG2 ARG 20 2HG ARG 20 -10.761 -11.519 4.510 170 HG3 ARG 20 1HG ARG 20 -9.051 -11.865 4.217 171 HD2 ARG 20 2HD ARG 20 -8.519 -10.907 6.462 172 HD3 ARG 20 1HD ARG 20 -10.251 -10.685 6.749 173 HH11 ARG 20 1HH1 ARG 20 -9.303 -11.160 8.755 174 HH12 ARG 20 2HH1 ARG 20 -9.290 -12.422 9.941 175 HH21 ARG 20 1HH2 ARG 20 -9.694 -15.018 7.640 176 HH22 ARG 20 2HH2 ARG 20 -9.506 -14.597 9.314 177 H VAL 21 H VAL 21 -9.150 -6.643 5.542 178 HA VAL 21 HA VAL 21 -9.705 -5.051 3.098 179 HB VAL 21 HB VAL 21 -10.682 -3.957 5.024 180 HG11 VAL 21 1HG1 VAL 21 -9.458 -4.999 6.848 181 HG12 VAL 21 2HG1 VAL 21 -9.409 -3.243 7.022 182 HG13 VAL 21 3HG1 VAL 21 -7.994 -4.112 6.421 183 HG21 VAL 21 3HG2 VAL 21 -9.675 -2.476 3.357 184 HG22 VAL 21 1HG2 VAL 21 -8.124 -2.524 4.203 185 HG23 VAL 21 2HG2 VAL 21 -9.523 -1.760 4.963 186 H GLU 22 H GLU 22 -8.049 -5.241 1.764 187 HA GLU 22 HA GLU 22 -5.286 -5.004 2.802 188 HB2 GLU 22 2HB GLU 22 -4.563 -6.369 0.754 189 HB3 GLU 22 1HB GLU 22 -5.342 -7.252 2.057 190 HG2 GLU 22 2HG GLU 22 -6.814 -6.337 -0.419 191 HG3 GLU 22 1HG GLU 22 -5.977 -7.883 -0.328 192 H TYR 23 H TYR 23 -3.906 -3.799 1.707 193 HA TYR 23 HA TYR 23 -4.937 -1.972 -0.370 194 HD1 TYR 23 1HD TYR 23 -6.442 -1.053 0.774 195 HD2 TYR 23 2HD TYR 23 -3.523 -0.151 3.770 196 HE1 TYR 23 1HE TYR 23 -8.205 -0.279 2.280 197 HE2 TYR 23 2HE TYR 23 -5.302 0.616 5.279 198 HH TYR 23 HH TYR 23 -8.574 0.019 4.721 199 HB2 TYR 23 2HB TYR 23 -2.887 -1.416 1.824 200 HB3 TYR 23 1HB TYR 23 -3.444 -0.262 0.616 201 H LEU 24 H LEU 24 -3.602 -1.603 -2.106 202 HA LEU 24 HA LEU 24 -1.430 -3.456 -2.584 203 HG LEU 24 HG LEU 24 -0.124 -2.408 -4.906 204 HB2 LEU 24 2HB LEU 24 -3.112 -2.618 -4.355 205 HB3 LEU 24 1HB LEU 24 -2.241 -1.086 -4.325 206 HD11 LEU 24 1HD1 LEU 24 -0.432 -4.643 -5.879 207 HD12 LEU 24 2HD1 LEU 24 -2.134 -4.614 -5.426 208 HD13 LEU 24 3HD1 LEU 24 -0.884 -4.605 -4.177 209 HD21 LEU 24 3HD2 LEU 24 -1.324 -1.097 -6.614 210 HD22 LEU 24 1HD2 LEU 24 -2.351 -2.488 -6.961 211 HD23 LEU 24 2HD2 LEU 24 -0.622 -2.562 -7.293 212 H VAL 25 H VAL 25 0.555 -3.034 -1.695 213 HA VAL 25 HA VAL 25 1.277 -0.289 -1.002 214 HB VAL 25 HB VAL 25 3.144 -1.180 0.241 215 HG11 VAL 25 1HG1 VAL 25 0.962 -1.316 1.366 216 HG12 VAL 25 2HG1 VAL 25 2.000 -2.646 1.879 217 HG13 VAL 25 3HG1 VAL 25 0.700 -2.941 0.719 218 HG21 VAL 25 3HG2 VAL 25 2.541 -3.917 -0.941 219 HG22 VAL 25 1HG2 VAL 25 3.731 -3.586 0.325 220 HG23 VAL 25 2HG2 VAL 25 3.948 -2.911 -1.289 221 H LYS 26 H LYS 26 2.443 0.950 -2.259 222 HA LYS 26 HA LYS 26 4.098 -0.045 -4.444 223 HB2 LYS 26 2HB LYS 26 2.849 2.077 -4.718 224 HB3 LYS 26 1HB LYS 26 3.654 2.759 -3.313 225 HG2 LYS 26 2HG LYS 26 4.573 3.611 -5.447 226 HG3 LYS 26 1HG LYS 26 5.783 2.779 -4.463 227 HD2 LYS 26 2HD LYS 26 5.552 0.753 -5.875 228 HD3 LYS 26 1HD LYS 26 4.313 1.560 -6.846 229 HE2 LYS 26 2HE LYS 26 6.526 1.564 -7.953 230 HE3 LYS 26 1HE LYS 26 5.959 3.199 -7.624 231 HZ1 LYS 26 3HZ LYS 26 7.965 1.697 -6.025 232 HZ2 LYS 26 1HZ LYS 26 7.420 3.259 -5.685 233 HZ3 LYS 26 2HZ LYS 26 8.293 2.957 -7.101 234 H TRP 27 H TRP 27 6.068 -0.862 -3.888 235 HA TRP 27 HA TRP 27 7.454 -0.080 -1.468 236 HD1 TRP 27 HD TRP 27 6.318 -3.762 -3.446 237 HE1 TRP 27 1HE TRP 27 5.617 -5.277 -1.485 238 HE3 TRP 27 3HE TRP 27 9.015 -1.556 0.297 239 HZ2 TRP 27 2HZ TRP 27 6.122 -5.490 1.280 240 HZ3 TRP 27 3HZ TRP 27 8.831 -2.455 2.578 241 HH2 TRP 27 HH TRP 27 7.419 -4.387 3.060 242 HB2 TRP 27 2HB TRP 27 8.213 -1.933 -3.768 243 HB3 TRP 27 1HB TRP 27 9.254 -1.633 -2.382 244 H ARG 28 H ARG 28 8.689 1.664 -1.316 245 HA ARG 28 HA ARG 28 9.515 3.353 -3.421 246 HE ARG 28 HE ARG 28 9.425 6.189 -0.436 247 HB2 ARG 28 2HB ARG 28 9.253 4.221 -1.147 248 HB3 ARG 28 1HB ARG 28 10.499 3.130 -0.545 249 HG2 ARG 28 2HG ARG 28 12.209 4.336 -1.877 250 HG3 ARG 28 1HG ARG 28 10.966 5.424 -2.497 251 HD2 ARG 28 2HD ARG 28 11.767 5.159 0.429 252 HD3 ARG 28 1HD ARG 28 12.302 6.437 -0.670 253 HH11 ARG 28 1HH1 ARG 28 12.271 7.818 0.800 254 HH12 ARG 28 2HH1 ARG 28 11.356 9.075 1.563 255 HH21 ARG 28 1HH2 ARG 28 8.247 7.843 0.548 256 HH22 ARG 28 2HH2 ARG 28 9.081 9.098 1.407 257 H GLY 29 H GLY 29 11.266 3.304 -4.711 258 HA2 GLY 29 2HA GLY 29 13.397 2.842 -5.493 259 HA3 GLY 29 1HA GLY 29 13.717 1.867 -4.068 260 H TRP 30 H TRP 30 10.779 0.926 -5.344 261 HA TRP 30 HA TRP 30 11.916 -1.155 -7.121 262 HD1 TRP 30 HD TRP 30 11.237 -1.133 -2.855 263 HE1 TRP 30 1HE TRP 30 13.242 -2.388 -1.860 264 HE3 TRP 30 3HE TRP 30 12.373 -4.159 -6.836 265 HZ2 TRP 30 2HZ TRP 30 15.061 -4.383 -2.636 266 HZ3 TRP 30 3HZ TRP 30 14.272 -5.716 -6.622 267 HH2 TRP 30 HH TRP 30 15.591 -5.826 -4.560 268 HB2 TRP 30 2HB TRP 30 9.711 -1.546 -5.032 269 HB3 TRP 30 1HB TRP 30 10.264 -2.766 -6.180 270 H SER 31 H SER 31 10.737 -1.538 -8.966 271 HA SER 31 HA SER 31 9.003 0.400 -10.014 272 HG SER 31 HG SER 31 10.644 -0.359 -12.144 273 HB2 SER 31 2HB SER 31 9.360 -2.498 -10.895 274 HB3 SER 31 1HB SER 31 8.692 -1.197 -11.884 275 HA PRO 32 HA PRO 32 4.902 -0.400 -8.379 276 HB2 PRO 32 2HB PRO 32 3.887 -0.277 -11.223 277 HB3 PRO 32 1HB PRO 32 3.335 0.605 -9.787 278 HG2 PRO 32 2HG PRO 32 4.836 1.842 -11.598 279 HG3 PRO 32 1HG PRO 32 5.134 2.119 -9.866 280 HD2 PRO 32 2HD PRO 32 6.672 0.391 -11.809 281 HD3 PRO 32 1HD PRO 32 7.282 1.463 -10.527 282 H LYS 33 H LYS 33 5.941 -2.364 -11.112 283 HA LYS 33 HA LYS 33 3.950 -4.371 -11.060 284 HB2 LYS 33 2HB LYS 33 5.564 -5.712 -12.401 285 HB3 LYS 33 1HB LYS 33 5.387 -4.060 -12.994 286 HG2 LYS 33 2HG LYS 33 7.509 -3.498 -11.674 287 HG3 LYS 33 1HG LYS 33 7.714 -5.240 -11.438 288 HD2 LYS 33 2HD LYS 33 7.790 -5.550 -13.899 289 HD3 LYS 33 1HD LYS 33 7.578 -3.810 -14.127 290 HE2 LYS 33 2HE LYS 33 9.733 -3.445 -12.890 291 HE3 LYS 33 1HE LYS 33 9.951 -5.198 -12.823 292 HZ1 LYS 33 3HZ LYS 33 9.775 -3.532 -15.271 293 HZ2 LYS 33 1HZ LYS 33 9.906 -5.219 -15.255 294 HZ3 LYS 33 2HZ LYS 33 11.163 -4.267 -14.652 295 H TYR 34 H TYR 34 6.616 -3.840 -8.903 296 HA TYR 34 HA TYR 34 6.601 -6.530 -7.742 297 HD1 TYR 34 1HD TYR 34 9.063 -7.573 -6.790 298 HD2 TYR 34 2HD TYR 34 9.498 -4.091 -9.237 299 HE1 TYR 34 1HE TYR 34 10.783 -8.722 -8.100 300 HE2 TYR 34 2HE TYR 34 11.237 -5.248 -10.550 301 HH TYR 34 HH TYR 34 12.842 -7.131 -10.241 302 HB2 TYR 34 2HB TYR 34 8.177 -3.987 -7.186 303 HB3 TYR 34 1HB TYR 34 8.218 -5.327 -6.045 304 H ASN 35 H ASN 35 4.212 -4.742 -7.728 305 HA ASN 35 HA ASN 35 3.577 -3.802 -5.153 306 HB2 ASN 35 2HB ASN 35 1.239 -3.801 -6.027 307 HB3 ASN 35 1HB ASN 35 2.371 -3.066 -7.147 308 HD21 ASN 35 1HD2 ASN 35 0.321 -5.877 -6.574 309 HD22 ASN 35 2HD2 ASN 35 0.341 -6.460 -8.198 310 H THR 36 H THR 36 2.561 -4.751 -3.418 311 HA THR 36 HA THR 36 1.622 -7.549 -3.572 312 HB THR 36 HB THR 36 2.527 -7.812 -1.151 313 HG1 THR 36 1HG THR 36 3.246 -5.914 -0.465 314 HG21 THR 36 3HG2 THR 36 4.600 -7.542 -3.355 315 HG22 THR 36 1HG2 THR 36 3.622 -8.979 -3.038 316 HG23 THR 36 2HG2 THR 36 4.807 -8.435 -1.848 317 H TRP 37 H TRP 37 -0.374 -7.832 -2.732 318 HA TRP 37 HA TRP 37 -1.842 -5.686 -1.443 319 HD1 TRP 37 HD TRP 37 -2.451 -8.295 -4.789 320 HE1 TRP 37 1HE TRP 37 -3.694 -6.797 -6.472 321 HE3 TRP 37 3HE TRP 37 -4.650 -5.028 -1.515 322 HZ2 TRP 37 2HZ TRP 37 -5.358 -4.522 -6.424 323 HZ3 TRP 37 3HZ TRP 37 -6.040 -3.207 -2.417 324 HH2 TRP 37 HH TRP 37 -6.386 -2.961 -4.824 325 HB2 TRP 37 2HB TRP 37 -2.565 -8.564 -2.153 326 HB3 TRP 37 1HB TRP 37 -3.671 -7.498 -1.293 327 H GLU 38 H GLU 38 -1.309 -5.247 0.592 328 HA GLU 38 HA GLU 38 -0.972 -7.425 2.568 329 HB2 GLU 38 2HB GLU 38 0.350 -4.675 2.520 330 HB3 GLU 38 1HB GLU 38 0.512 -5.862 3.818 331 HG2 GLU 38 2HG GLU 38 1.541 -7.443 2.175 332 HG3 GLU 38 1HG GLU 38 1.454 -6.175 0.948 333 HA PRO 39 HA PRO 39 -4.683 -5.870 4.476 334 HB2 PRO 39 2HB PRO 39 -4.186 -6.655 7.123 335 HB3 PRO 39 1HB PRO 39 -4.826 -7.703 5.851 336 HG2 PRO 39 2HG PRO 39 -1.995 -7.409 6.831 337 HG3 PRO 39 1HG PRO 39 -2.887 -8.888 6.413 338 HD2 PRO 39 2HD PRO 39 -1.102 -7.836 4.711 339 HD3 PRO 39 1HD PRO 39 -2.610 -8.557 4.106 340 H GLU 40 H GLU 40 -5.490 -4.393 6.117 341 HA GLU 40 HA GLU 40 -4.172 -1.898 6.128 342 HB2 GLU 40 2HB GLU 40 -6.623 -2.168 6.198 343 HB3 GLU 40 1HB GLU 40 -6.511 -2.916 7.788 344 HG2 GLU 40 2HG GLU 40 -5.649 -0.764 8.709 345 HG3 GLU 40 1HG GLU 40 -5.860 -0.026 7.118 346 H GLU 41 H GLU 41 -4.197 -4.518 8.483 347 HA GLU 41 HA GLU 41 -3.206 -3.188 10.770 348 HB2 GLU 41 2HB GLU 41 -2.510 -5.440 11.566 349 HB3 GLU 41 1HB GLU 41 -4.148 -5.452 10.925 350 HG2 GLU 41 2HG GLU 41 -3.366 -6.495 8.851 351 HG3 GLU 41 1HG GLU 41 -1.697 -6.409 9.403 352 H ASN 42 H ASN 42 -1.584 -4.459 7.892 353 HA ASN 42 HA ASN 42 1.124 -4.124 8.770 354 HB2 ASN 42 2HB ASN 42 -0.022 -4.265 5.937 355 HB3 ASN 42 1HB ASN 42 1.701 -4.269 6.310 356 HD21 ASN 42 1HD2 ASN 42 1.971 -6.293 5.343 357 HD22 ASN 42 2HD2 ASN 42 1.393 -7.754 6.058 358 H ILE 43 H ILE 43 -1.229 -2.067 7.115 359 HA ILE 43 HA ILE 43 0.661 0.163 6.887 360 HB ILE 43 HB ILE 43 -2.279 0.136 6.054 361 HG12 ILE 43 2HG1 ILE 43 -1.051 -1.624 4.792 362 HG13 ILE 43 1HG1 ILE 43 -1.496 -0.292 3.734 363 HG21 ILE 43 1HG2 ILE 43 0.034 1.988 5.337 364 HG22 ILE 43 2HG2 ILE 43 -1.350 2.379 6.361 365 HG23 ILE 43 3HG2 ILE 43 -1.583 2.069 4.648 366 HD11 ILE 43 3HD1 ILE 43 0.725 -1.105 3.239 367 HD12 ILE 43 1HD1 ILE 43 1.248 -0.802 4.893 368 HD13 ILE 43 2HD1 ILE 43 0.812 0.546 3.839 369 H LEU 44 H LEU 44 0.866 0.143 9.236 370 HA LEU 44 HA LEU 44 -1.289 1.529 10.705 371 HG LEU 44 HG LEU 44 -0.409 -0.416 13.738 372 HB2 LEU 44 2HB LEU 44 0.509 -0.548 11.462 373 HB3 LEU 44 1HB LEU 44 1.096 0.861 12.315 374 HD11 LEU 44 1HD1 LEU 44 -1.749 2.172 12.904 375 HD12 LEU 44 2HD1 LEU 44 -0.416 2.001 14.050 376 HD13 LEU 44 3HD1 LEU 44 -1.990 1.309 14.431 377 HD21 LEU 44 3HD2 LEU 44 -2.564 -0.014 11.636 378 HD22 LEU 44 1HD2 LEU 44 -2.769 -0.796 13.209 379 HD23 LEU 44 2HD2 LEU 44 -1.728 -1.528 11.990 380 H ASP 45 H ASP 45 1.248 2.346 8.791 381 HA ASP 45 HA ASP 45 2.268 4.587 10.371 382 HB2 ASP 45 2HB ASP 45 3.914 3.226 9.148 383 HB3 ASP 45 1HB ASP 45 3.091 3.546 7.628 384 HA PRO 46 HA PRO 46 -0.993 7.262 8.633 385 HB2 PRO 46 2HB PRO 46 0.904 9.357 9.702 386 HB3 PRO 46 1HB PRO 46 -0.849 9.209 9.911 387 HG2 PRO 46 2HG PRO 46 0.750 8.503 11.890 388 HG3 PRO 46 1HG PRO 46 -0.638 7.465 11.494 389 HD2 PRO 46 2HD PRO 46 2.278 7.097 10.793 390 HD3 PRO 46 1HD PRO 46 1.099 5.896 11.370 391 H ARG 47 H ARG 47 2.446 7.609 7.694 392 HA ARG 47 HA ARG 47 2.026 9.682 5.739 393 HE ARG 47 HE ARG 47 4.472 11.366 9.050 394 HB2 ARG 47 2HB ARG 47 4.320 7.684 5.901 395 HB3 ARG 47 1HB ARG 47 4.298 9.138 4.902 396 HG2 ARG 47 2HG ARG 47 4.249 9.051 7.938 397 HG3 ARG 47 1HG ARG 47 5.641 9.451 6.931 398 HD2 ARG 47 2HD ARG 47 4.466 11.443 6.081 399 HD3 ARG 47 1HD ARG 47 3.051 11.039 7.057 400 HH11 ARG 47 1HH1 ARG 47 5.574 12.873 6.064 401 HH12 ARG 47 2HH1 ARG 47 6.431 14.136 6.883 402 HH21 ARG 47 1HH2 ARG 47 5.603 13.035 10.101 403 HH22 ARG 47 2HH2 ARG 47 6.430 14.244 9.172 404 H LEU 48 H LEU 48 2.003 6.181 5.632 405 HA LEU 48 HA LEU 48 1.726 5.840 2.797 406 HG LEU 48 HG LEU 48 3.020 4.402 5.608 407 HB2 LEU 48 2HB LEU 48 0.708 3.943 4.949 408 HB3 LEU 48 1HB LEU 48 1.212 3.534 3.310 409 HD11 LEU 48 1HD1 LEU 48 3.919 2.129 5.523 410 HD12 LEU 48 2HD1 LEU 48 2.747 1.695 4.274 411 HD13 LEU 48 3HD1 LEU 48 2.194 2.137 5.892 412 HD21 LEU 48 3HD2 LEU 48 3.804 3.686 2.765 413 HD22 LEU 48 1HD2 LEU 48 4.919 3.949 4.110 414 HD23 LEU 48 2HD2 LEU 48 3.918 5.275 3.529 415 H LEU 49 H LEU 49 -0.435 6.303 5.512 416 HA LEU 49 HA LEU 49 -2.927 5.814 4.194 417 HG LEU 49 HG LEU 49 -1.772 4.728 6.775 418 HB2 LEU 49 2HB LEU 49 -2.269 7.217 6.808 419 HB3 LEU 49 1HB LEU 49 -3.907 6.848 6.282 420 HD11 LEU 49 1HD1 LEU 49 -2.921 4.223 8.880 421 HD12 LEU 49 2HD1 LEU 49 -4.004 5.596 8.642 422 HD13 LEU 49 3HD1 LEU 49 -2.275 5.862 8.878 423 HD21 LEU 49 3HD2 LEU 49 -4.771 4.470 6.332 424 HD22 LEU 49 1HD2 LEU 49 -3.664 3.145 6.707 425 HD23 LEU 49 2HD2 LEU 49 -3.500 4.024 5.189 426 H ILE 50 H ILE 50 -0.852 8.651 4.453 427 HA ILE 50 HA ILE 50 -2.667 10.742 3.980 428 HB ILE 50 HB ILE 50 0.219 10.415 3.041 429 HG12 ILE 50 2HG1 ILE 50 -1.019 12.021 5.320 430 HG13 ILE 50 1HG1 ILE 50 -0.069 10.551 5.479 431 HG21 ILE 50 1HG2 ILE 50 0.283 12.846 2.553 432 HG22 ILE 50 2HG2 ILE 50 -1.456 12.946 2.829 433 HG23 ILE 50 3HG2 ILE 50 -0.833 11.990 1.485 434 HD11 ILE 50 3HD1 ILE 50 1.218 12.499 6.090 435 HD12 ILE 50 1HD1 ILE 50 0.938 13.222 4.506 436 HD13 ILE 50 2HD1 ILE 50 1.903 11.750 4.649 437 H ALA 51 H ALA 51 -0.915 8.733 1.619 438 HA ALA 51 HA ALA 51 -2.045 9.756 -0.749 439 HB1 ALA 51 1HB ALA 51 -1.254 7.689 -1.824 440 HB2 ALA 51 2HB ALA 51 -1.007 6.949 -0.238 441 HB3 ALA 51 3HB ALA 51 -0.028 8.333 -0.727 442 H PHE 52 H PHE 52 -3.039 7.065 1.350 443 HA PHE 52 HA PHE 52 -5.140 5.977 -0.133 444 HD1 PHE 52 1HD PHE 52 -5.944 3.560 0.460 445 HD2 PHE 52 2HD PHE 52 -6.950 5.845 3.929 446 HE1 PHE 52 1HE PHE 52 -7.986 2.238 0.750 447 HE2 PHE 52 2HE PHE 52 -8.999 4.507 4.206 448 HZ PHE 52 HZ PHE 52 -9.514 2.703 2.615 449 HB2 PHE 52 2HB PHE 52 -4.198 4.921 1.879 450 HB3 PHE 52 1HB PHE 52 -4.854 6.199 2.892 451 H GLN 53 H GLN 53 -5.255 8.535 2.352 452 HA GLN 53 HA GLN 53 -8.067 8.914 2.383 453 HB2 GLN 53 2HB GLN 53 -5.816 10.793 3.223 454 HB3 GLN 53 1HB GLN 53 -7.523 11.039 3.606 455 HG2 GLN 53 2HG GLN 53 -7.564 9.041 4.977 456 HG3 GLN 53 1HG GLN 53 -5.928 8.611 4.493 457 HE21 GLN 53 1HE2 GLN 53 -4.176 9.819 5.330 458 HE22 GLN 53 2HE2 GLN 53 -4.339 10.779 6.756 459 H ASN 54 H ASN 54 -5.511 10.234 0.392 460 HA ASN 54 HA ASN 54 -7.053 12.303 -0.885 461 HB2 ASN 54 2HB ASN 54 -4.445 10.960 -1.725 462 HB3 ASN 54 1HB ASN 54 -5.137 12.381 -2.508 463 HD21 ASN 54 1HD2 ASN 54 -2.557 12.052 -1.148 464 HD22 ASN 54 2HD2 ASN 54 -2.516 13.253 0.093 465 H ARG 55 H ARG 55 -6.229 8.941 -1.608 466 HA ARG 55 HA ARG 55 -7.355 8.938 -4.277 467 HE ARG 55 HE ARG 55 -2.293 7.827 -3.736 468 HB2 ARG 55 2HB ARG 55 -6.266 6.665 -2.568 469 HB3 ARG 55 1HB ARG 55 -6.737 6.510 -4.264 470 HG2 ARG 55 2HG ARG 55 -5.007 8.102 -4.932 471 HG3 ARG 55 1HG ARG 55 -4.576 8.385 -3.247 472 HD2 ARG 55 2HD ARG 55 -3.930 5.948 -3.095 473 HD3 ARG 55 1HD ARG 55 -4.185 5.838 -4.845 474 HH11 ARG 55 1HH1 ARG 55 -2.856 5.089 -5.856 475 HH12 ARG 55 2HH1 ARG 55 -1.209 5.014 -6.389 476 HH21 ARG 55 1HH2 ARG 55 -0.140 7.716 -4.459 477 HH22 ARG 55 2HH2 ARG 55 0.326 6.490 -5.591 478 H GLU 56 H GLU 56 -8.573 8.319 -1.102 479 HA GLU 56 HA GLU 56 -11.040 7.076 -2.027 480 HB2 GLU 56 2HB GLU 56 -10.308 8.268 0.687 481 HB3 GLU 56 1HB GLU 56 -11.805 7.405 0.338 482 HG2 GLU 56 2HG GLU 56 -9.019 6.207 0.173 483 HG3 GLU 56 1HG GLU 56 -10.100 6.043 1.556 484 H ARG 57 H ARG 57 -9.748 10.251 -1.684 485 HA ARG 57 HA ARG 57 -12.349 11.607 -1.656 486 HE ARG 57 HE ARG 57 -11.087 16.785 -1.151 487 HB2 ARG 57 2HB ARG 57 -10.544 12.320 -0.088 488 HB3 ARG 57 1HB ARG 57 -9.515 12.738 -1.454 489 HG2 ARG 57 2HG ARG 57 -11.058 14.520 -2.103 490 HG3 ARG 57 1HG ARG 57 -12.187 14.042 -0.833 491 HD2 ARG 57 2HD ARG 57 -10.575 14.698 0.891 492 HD3 ARG 57 1HD ARG 57 -9.370 15.077 -0.345 493 HH11 ARG 57 1HH1 ARG 57 -10.872 15.919 2.269 494 HH12 ARG 57 2HH1 ARG 57 -11.351 17.499 2.802 495 HH21 ARG 57 1HH2 ARG 57 -11.714 18.833 -0.402 496 HH22 ARG 57 2HH2 ARG 57 -11.807 19.136 1.303 497 H GLN 58 H GLN 58 -10.163 10.460 -3.989 498 HA GLN 58 HA GLN 58 -10.184 12.505 -5.949 499 HB2 GLN 58 2HB GLN 58 -9.804 9.497 -6.206 500 HB3 GLN 58 1HB GLN 58 -9.682 10.579 -7.589 501 HG2 GLN 58 2HG GLN 58 -7.950 10.803 -5.111 502 HG3 GLN 58 1HG GLN 58 -7.493 9.908 -6.556 503 HE21 GLN 58 1HE2 GLN 58 -5.669 11.192 -6.839 504 HE22 GLN 58 2HE2 GLN 58 -5.741 12.824 -7.401 505 H GLU 59 H GLU 59 -11.311 12.561 -7.978 506 HA GLU 59 HA GLU 59 -14.155 12.365 -7.714 507 HB2 GLU 59 2HB GLU 59 -12.986 14.181 -8.991 508 HB3 GLU 59 1HB GLU 59 -12.465 13.001 -10.184 509 HG2 GLU 59 2HG GLU 59 -14.382 14.327 -10.970 510 HG3 GLU 59 1HG GLU 59 -14.772 12.607 -10.867 511 H GLN 60 H GLN 60 -15.590 10.986 -8.746 512 HA GLN 60 HA GLN 60 -14.694 8.331 -9.308 513 HB2 GLN 60 2HB GLN 60 -17.153 7.874 -9.753 514 HB3 GLN 60 1HB GLN 60 -16.784 8.542 -8.171 515 HG2 GLN 60 2HG GLN 60 -17.551 10.778 -8.978 516 HG3 GLN 60 1HG GLN 60 -18.000 10.029 -10.515 517 HE21 GLN 60 1HE2 GLN 60 -18.764 10.296 -7.115 518 HE22 GLN 60 2HE2 GLN 60 -20.344 9.595 -7.199 Start of MODEL 15 1 H1 GLY 1 1HT GLY 1 23.004 0.219 -10.114 2 H2 GLY 1 2HT GLY 1 22.723 -1.162 -11.046 3 H3 GLY 1 3HT GLY 1 24.228 -0.928 -10.311 4 HA2 GLY 1 1HA GLY 1 22.904 -2.565 -9.133 5 HA3 GLY 1 2HA GLY 1 23.278 -1.164 -8.140 6 H SER 2 H SER 2 21.153 -2.917 -7.581 7 HA SER 2 HA SER 2 18.808 -1.118 -7.931 8 HG SER 2 HG SER 2 18.719 -2.473 -9.799 9 HB2 SER 2 2HB SER 2 18.779 -4.161 -7.594 10 HB3 SER 2 1HB SER 2 17.360 -3.116 -7.742 11 H GLU 3 H GLU 3 18.035 -0.300 -6.087 12 HA GLU 3 HA GLU 3 19.289 -0.747 -3.561 13 HB2 GLU 3 2HB GLU 3 16.805 0.838 -4.348 14 HB3 GLU 3 1HB GLU 3 17.521 0.868 -2.736 15 HG2 GLU 3 2HG GLU 3 19.508 1.920 -3.516 16 HG3 GLU 3 1HG GLU 3 19.104 1.610 -5.204 17 H HIS 4 H HIS 4 18.893 -2.436 -2.275 18 HA HIS 4 HA HIS 4 16.560 -4.117 -2.592 19 HD1 HIS 4 1HD HIS 4 18.294 -6.352 0.904 20 HD2 HIS 4 2HD HIS 4 16.521 -6.830 -2.823 21 HE1 HIS 4 1HE HIS 4 17.025 -8.513 1.039 22 HE2 HIS 4 2HE HIS 4 15.854 -8.705 -1.172 23 HB2 HIS 4 2HB HIS 4 18.928 -4.989 -2.286 24 HB3 HIS 4 1HB HIS 4 18.844 -4.459 -0.611 25 H VAL 5 H VAL 5 16.682 -1.301 -1.145 26 HA VAL 5 HA VAL 5 15.716 -1.781 1.496 27 HB VAL 5 HB VAL 5 16.827 0.327 0.990 28 HG11 VAL 5 1HG1 VAL 5 15.853 2.076 -0.470 29 HG12 VAL 5 2HG1 VAL 5 14.554 0.971 -0.924 30 HG13 VAL 5 3HG1 VAL 5 16.218 0.602 -1.375 31 HG21 VAL 5 3HG2 VAL 5 15.155 0.368 2.808 32 HG22 VAL 5 1HG2 VAL 5 13.897 0.834 1.658 33 HG23 VAL 5 2HG2 VAL 5 15.235 1.933 1.997 34 H PHE 6 H PHE 6 13.762 -2.401 2.070 35 HA PHE 6 HA PHE 6 11.433 -2.048 0.281 36 HD1 PHE 6 1HD PHE 6 10.175 -4.267 -0.761 37 HD2 PHE 6 2HD PHE 6 13.614 -5.442 1.506 38 HE1 PHE 6 1HE PHE 6 10.835 -5.821 -2.553 39 HE2 PHE 6 2HE PHE 6 14.260 -6.991 -0.292 40 HZ PHE 6 HZ PHE 6 12.873 -7.181 -2.317 41 HB2 PHE 6 2HB PHE 6 11.937 -4.048 2.528 42 HB3 PHE 6 1HB PHE 6 10.373 -3.837 1.746 43 H ALA 7 H ALA 7 10.689 -0.088 0.787 44 HA ALA 7 HA ALA 7 9.554 0.333 3.471 45 HB1 ALA 7 1HB ALA 7 11.632 1.677 3.373 46 HB2 ALA 7 2HB ALA 7 10.212 2.720 3.406 47 HB3 ALA 7 3HB ALA 7 11.079 2.457 1.889 48 H VAL 8 H VAL 8 7.428 0.840 3.311 49 HA VAL 8 HA VAL 8 6.144 1.031 0.750 50 HB VAL 8 HB VAL 8 4.911 1.620 3.483 51 HG11 VAL 8 1HG1 VAL 8 2.736 1.094 2.384 52 HG12 VAL 8 2HG1 VAL 8 3.564 0.910 0.837 53 HG13 VAL 8 3HG1 VAL 8 3.528 2.484 1.634 54 HG21 VAL 8 3HG2 VAL 8 5.870 -0.648 3.480 55 HG22 VAL 8 1HG2 VAL 8 4.997 -1.036 1.994 56 HG23 VAL 8 2HG2 VAL 8 4.108 -0.721 3.486 57 H GLU 9 H GLU 9 5.602 2.797 -0.356 58 HA GLU 9 HA GLU 9 6.478 5.433 0.618 59 HB2 GLU 9 2HB GLU 9 7.551 4.535 -1.419 60 HB3 GLU 9 1HB GLU 9 5.983 4.405 -2.205 61 HG2 GLU 9 2HG GLU 9 5.747 6.819 -2.248 62 HG3 GLU 9 1HG GLU 9 7.211 7.019 -1.280 63 H SER 10 H SER 10 3.818 3.747 -0.996 64 HA SER 10 HA SER 10 1.799 5.486 0.044 65 HG SER 10 HG SER 10 2.361 4.869 -3.556 66 HB2 SER 10 2HB SER 10 1.030 6.224 -2.315 67 HB3 SER 10 1HB SER 10 2.480 7.013 -1.692 68 H ILE 11 H ILE 11 -0.333 4.762 -0.502 69 HA ILE 11 HA ILE 11 -0.558 1.949 -1.286 70 HB ILE 11 HB ILE 11 -2.582 3.924 -0.129 71 HG12 ILE 11 2HG1 ILE 11 -1.268 1.443 1.074 72 HG13 ILE 11 1HG1 ILE 11 -0.818 3.103 1.448 73 HG21 ILE 11 1HG2 ILE 11 -3.022 0.990 -0.814 74 HG22 ILE 11 2HG2 ILE 11 -3.779 2.366 -1.620 75 HG23 ILE 11 3HG2 ILE 11 -4.158 2.013 0.065 76 HD11 ILE 11 3HD1 ILE 11 -2.162 2.087 3.193 77 HD12 ILE 11 1HD1 ILE 11 -3.482 1.825 2.060 78 HD13 ILE 11 2HD1 ILE 11 -2.990 3.468 2.483 79 H GLU 12 H GLU 12 -0.803 1.522 -3.354 80 HA GLU 12 HA GLU 12 -1.550 3.479 -5.339 81 HB2 GLU 12 2HB GLU 12 -0.900 0.509 -5.612 82 HB3 GLU 12 1HB GLU 12 -1.029 1.657 -6.942 83 HG2 GLU 12 2HG GLU 12 1.051 1.693 -4.736 84 HG3 GLU 12 1HG GLU 12 1.312 1.190 -6.404 85 H LYS 13 H LYS 13 -2.781 0.285 -4.311 86 HA LYS 13 HA LYS 13 -5.441 0.932 -5.426 87 HB2 LYS 13 2HB LYS 13 -3.982 -1.742 -5.522 88 HB3 LYS 13 1HB LYS 13 -5.666 -1.508 -5.991 89 HG2 LYS 13 2HG LYS 13 -4.953 0.013 -7.800 90 HG3 LYS 13 1HG LYS 13 -3.269 -0.213 -7.314 91 HD2 LYS 13 2HD LYS 13 -3.446 -2.634 -7.855 92 HD3 LYS 13 1HD LYS 13 -5.124 -2.391 -8.355 93 HE2 LYS 13 2HE LYS 13 -4.389 -0.878 -10.147 94 HE3 LYS 13 1HE LYS 13 -2.710 -1.060 -9.632 95 HZ1 LYS 13 3HZ LYS 13 -2.824 -3.384 -10.189 96 HZ2 LYS 13 1HZ LYS 13 -3.243 -2.438 -11.520 97 HZ3 LYS 13 2HZ LYS 13 -4.443 -3.232 -10.642 98 H LYS 14 H LYS 14 -7.137 -0.573 -4.565 99 HA LYS 14 HA LYS 14 -6.977 -1.018 -1.679 100 HB2 LYS 14 2HB LYS 14 -7.439 1.286 -1.500 101 HB3 LYS 14 1HB LYS 14 -8.291 1.350 -3.033 102 HG2 LYS 14 2HG LYS 14 -9.890 1.795 -1.330 103 HG3 LYS 14 1HG LYS 14 -10.229 0.176 -1.935 104 HD2 LYS 14 2HD LYS 14 -8.972 -0.736 0.062 105 HD3 LYS 14 1HD LYS 14 -8.866 0.918 0.679 106 HE2 LYS 14 2HE LYS 14 -11.384 -0.711 0.198 107 HE3 LYS 14 1HE LYS 14 -10.743 -0.168 1.747 108 HZ1 LYS 14 3HZ LYS 14 -12.573 1.208 1.084 109 HZ2 LYS 14 1HZ LYS 14 -11.850 1.555 -0.401 110 HZ3 LYS 14 2HZ LYS 14 -11.158 2.130 1.025 111 H ARG 15 H ARG 15 -8.375 -2.627 -1.089 112 HA ARG 15 HA ARG 15 -10.992 -2.820 -2.352 113 HE ARG 15 HE ARG 15 -7.921 -4.899 -4.669 114 HB2 ARG 15 2HB ARG 15 -10.938 -5.259 -2.672 115 HB3 ARG 15 1HB ARG 15 -9.734 -4.484 -3.687 116 HG2 ARG 15 2HG ARG 15 -8.845 -5.537 -1.002 117 HG3 ARG 15 1HG ARG 15 -9.180 -6.705 -2.280 118 HD2 ARG 15 2HD ARG 15 -7.225 -4.384 -2.465 119 HD3 ARG 15 1HD ARG 15 -6.792 -6.084 -2.216 120 HH11 ARG 15 1HH1 ARG 15 -6.334 -7.620 -3.137 121 HH12 ARG 15 2HH1 ARG 15 -6.268 -8.549 -4.599 122 HH21 ARG 15 1HH2 ARG 15 -7.828 -6.130 -6.564 123 HH22 ARG 15 2HH2 ARG 15 -7.079 -7.696 -6.537 124 H ILE 16 H ILE 16 -12.556 -3.461 -0.965 125 HA ILE 16 HA ILE 16 -11.785 -4.772 1.567 126 HB ILE 16 HB ILE 16 -14.251 -3.174 0.804 127 HG12 ILE 16 2HG1 ILE 16 -12.444 -3.171 3.247 128 HG13 ILE 16 1HG1 ILE 16 -12.319 -2.032 1.905 129 HG21 ILE 16 1HG2 ILE 16 -15.417 -3.949 2.867 130 HG22 ILE 16 2HG2 ILE 16 -14.141 -5.140 3.131 131 HG23 ILE 16 3HG2 ILE 16 -15.184 -5.267 1.715 132 HD11 ILE 16 3HD1 ILE 16 -13.382 -0.996 3.801 133 HD12 ILE 16 1HD1 ILE 16 -14.609 -2.259 3.865 134 HD13 ILE 16 2HD1 ILE 16 -14.552 -1.148 2.493 135 H ARG 17 H ARG 17 -12.275 -6.819 1.856 136 HA ARG 17 HA ARG 17 -14.192 -8.206 0.160 137 HE ARG 17 HE ARG 17 -12.399 -9.517 -3.168 138 HB2 ARG 17 2HB ARG 17 -11.836 -8.444 -0.803 139 HB3 ARG 17 1HB ARG 17 -11.373 -9.277 0.673 140 HG2 ARG 17 2HG ARG 17 -11.819 -10.913 -1.057 141 HG3 ARG 17 1HG ARG 17 -13.080 -11.031 0.175 142 HD2 ARG 17 2HD ARG 17 -13.999 -11.172 -2.135 143 HD3 ARG 17 1HD ARG 17 -14.638 -9.788 -1.243 144 HH11 ARG 17 1HH1 ARG 17 -15.573 -8.450 -2.087 145 HH12 ARG 17 2HH1 ARG 17 -15.614 -7.112 -3.187 146 HH21 ARG 17 1HH2 ARG 17 -12.496 -7.751 -4.586 147 HH22 ARG 17 2HH2 ARG 17 -13.886 -6.718 -4.589 148 H LYS 18 H LYS 18 -15.613 -8.797 1.712 149 HA LYS 18 HA LYS 18 -16.564 -10.087 3.310 150 HB2 LYS 18 2HB LYS 18 -15.074 -11.787 2.186 151 HB3 LYS 18 1HB LYS 18 -13.857 -11.478 3.413 152 HG2 LYS 18 2HG LYS 18 -15.333 -12.392 5.144 153 HG3 LYS 18 1HG LYS 18 -16.620 -12.621 3.954 154 HD2 LYS 18 2HD LYS 18 -15.406 -14.733 4.460 155 HD3 LYS 18 1HD LYS 18 -15.274 -14.282 2.757 156 HE2 LYS 18 2HE LYS 18 -13.010 -13.354 3.198 157 HE3 LYS 18 1HE LYS 18 -13.144 -13.836 4.891 158 HZ1 LYS 18 3HZ LYS 18 -11.886 -15.421 3.627 159 HZ2 LYS 18 1HZ LYS 18 -13.165 -15.650 2.550 160 HZ3 LYS 18 2HZ LYS 18 -13.322 -16.130 4.163 161 H GLY 19 H GLY 19 -15.475 -7.591 4.073 162 HA2 GLY 19 2HA GLY 19 -15.567 -6.429 6.105 163 HA3 GLY 19 1HA GLY 19 -15.295 -7.929 6.976 164 H ARG 20 H ARG 20 -12.954 -8.049 4.750 165 HA ARG 20 HA ARG 20 -10.920 -6.778 6.471 166 HE ARG 20 HE ARG 20 -9.601 -10.720 8.595 167 HB2 ARG 20 2HB ARG 20 -10.791 -9.015 4.405 168 HB3 ARG 20 1HB ARG 20 -9.332 -8.223 4.990 169 HG2 ARG 20 2HG ARG 20 -11.323 -9.727 6.725 170 HG3 ARG 20 1HG ARG 20 -9.772 -10.354 6.156 171 HD2 ARG 20 2HD ARG 20 -8.620 -8.502 7.372 172 HD3 ARG 20 1HD ARG 20 -10.184 -7.971 7.997 173 HH11 ARG 20 1HH1 ARG 20 -9.131 -7.408 9.710 174 HH12 ARG 20 2HH1 ARG 20 -8.774 -7.886 11.337 175 HH21 ARG 20 1HH2 ARG 20 -9.134 -11.323 10.703 176 HH22 ARG 20 2HH2 ARG 20 -8.762 -10.121 11.899 177 H VAL 21 H VAL 21 -9.264 -5.483 5.493 178 HA VAL 21 HA VAL 21 -9.792 -4.593 2.718 179 HB VAL 21 HB VAL 21 -10.594 -2.812 4.139 180 HG11 VAL 21 1HG1 VAL 21 -7.900 -2.740 5.520 181 HG12 VAL 21 2HG1 VAL 21 -9.403 -3.332 6.225 182 HG13 VAL 21 3HG1 VAL 21 -9.240 -1.624 5.804 183 HG21 VAL 21 3HG2 VAL 21 -7.900 -2.047 2.964 184 HG22 VAL 21 1HG2 VAL 21 -9.206 -0.925 3.356 185 HG23 VAL 21 2HG2 VAL 21 -9.430 -2.131 2.088 186 H GLU 22 H GLU 22 -8.094 -4.586 1.381 187 HA GLU 22 HA GLU 22 -5.367 -5.092 2.428 188 HB2 GLU 22 2HB GLU 22 -6.338 -7.148 1.455 189 HB3 GLU 22 1HB GLU 22 -6.690 -6.297 -0.044 190 HG2 GLU 22 2HG GLU 22 -4.243 -5.970 -0.394 191 HG3 GLU 22 1HG GLU 22 -3.933 -6.888 1.081 192 H TYR 23 H TYR 23 -3.651 -4.192 1.219 193 HA TYR 23 HA TYR 23 -4.349 -1.960 -0.604 194 HD1 TYR 23 1HD TYR 23 -5.415 -0.162 0.330 195 HD2 TYR 23 2HD TYR 23 -3.323 -1.430 3.841 196 HE1 TYR 23 1HE TYR 23 -7.185 0.786 1.737 197 HE2 TYR 23 2HE TYR 23 -5.103 -0.480 5.251 198 HH TYR 23 HH TYR 23 -6.852 1.268 5.081 199 HB2 TYR 23 2HB TYR 23 -2.381 -1.904 1.732 200 HB3 TYR 23 1HB TYR 23 -2.645 -0.585 0.593 201 H LEU 24 H LEU 24 -3.040 -1.755 -2.364 202 HA LEU 24 HA LEU 24 -0.721 -3.502 -2.737 203 HG LEU 24 HG LEU 24 0.543 -1.918 -5.143 204 HB2 LEU 24 2HB LEU 24 -2.270 -2.995 -4.645 205 HB3 LEU 24 1HB LEU 24 -1.824 -1.300 -4.543 206 HD11 LEU 24 1HD1 LEU 24 -0.572 -4.707 -5.573 207 HD12 LEU 24 2HD1 LEU 24 0.585 -4.225 -4.329 208 HD13 LEU 24 3HD1 LEU 24 1.044 -4.155 -6.028 209 HD21 LEU 24 3HD2 LEU 24 -1.535 -2.843 -7.150 210 HD22 LEU 24 1HD2 LEU 24 0.121 -2.351 -7.517 211 HD23 LEU 24 2HD2 LEU 24 -1.026 -1.173 -6.883 212 H VAL 25 H VAL 25 1.077 -2.908 -1.702 213 HA VAL 25 HA VAL 25 1.580 -0.128 -0.963 214 HB VAL 25 HB VAL 25 3.425 -1.014 0.403 215 HG11 VAL 25 1HG1 VAL 25 0.883 -2.665 0.716 216 HG12 VAL 25 2HG1 VAL 25 1.156 -1.038 1.348 217 HG13 VAL 25 3HG1 VAL 25 2.099 -2.391 1.969 218 HG21 VAL 25 3HG2 VAL 25 3.918 -3.437 0.558 219 HG22 VAL 25 1HG2 VAL 25 4.237 -2.828 -1.069 220 HG23 VAL 25 2HG2 VAL 25 2.776 -3.762 -0.747 221 H LYS 26 H LYS 26 3.048 1.174 -1.913 222 HA LYS 26 HA LYS 26 4.553 0.217 -4.225 223 HB2 LYS 26 2HB LYS 26 3.245 2.520 -3.972 224 HB3 LYS 26 1HB LYS 26 4.698 3.065 -3.155 225 HG2 LYS 26 2HG LYS 26 4.545 2.020 -6.009 226 HG3 LYS 26 1HG LYS 26 4.658 3.716 -5.539 227 HD2 LYS 26 2HD LYS 26 6.910 3.309 -4.582 228 HD3 LYS 26 1HD LYS 26 6.789 1.599 -5.011 229 HE2 LYS 26 2HE LYS 26 8.162 2.782 -6.646 230 HE3 LYS 26 1HE LYS 26 6.673 2.222 -7.408 231 HZ1 LYS 26 3HZ LYS 26 7.126 4.975 -6.402 232 HZ2 LYS 26 1HZ LYS 26 5.772 4.422 -7.250 233 HZ3 LYS 26 2HZ LYS 26 7.275 4.500 -8.020 234 H TRP 27 H TRP 27 6.162 -1.106 -3.300 235 HA TRP 27 HA TRP 27 7.997 -0.257 -1.282 236 HD1 TRP 27 HD TRP 27 6.734 -4.296 -3.154 237 HE1 TRP 27 1HE TRP 27 5.765 -5.516 -1.107 238 HE3 TRP 27 3HE TRP 27 8.732 -1.416 0.555 239 HZ2 TRP 27 2HZ TRP 27 5.831 -5.297 1.690 240 HZ3 TRP 27 3HZ TRP 27 8.231 -1.982 2.889 241 HH2 TRP 27 HH TRP 27 6.811 -3.879 3.448 242 HB2 TRP 27 2HB TRP 27 8.352 -2.303 -3.531 243 HB3 TRP 27 1HB TRP 27 9.473 -2.090 -2.191 244 H ARG 28 H ARG 28 9.000 1.670 -1.594 245 HA ARG 28 HA ARG 28 9.577 2.796 -4.137 246 HE ARG 28 HE ARG 28 10.340 6.537 -1.534 247 HB2 ARG 28 2HB ARG 28 10.638 4.637 -2.878 248 HB3 ARG 28 1HB ARG 28 9.051 4.217 -2.254 249 HG2 ARG 28 2HG ARG 28 10.219 2.897 -0.426 250 HG3 ARG 28 1HG ARG 28 11.736 3.595 -1.002 251 HD2 ARG 28 2HD ARG 28 9.346 5.091 0.122 252 HD3 ARG 28 1HD ARG 28 10.931 4.906 0.873 253 HH11 ARG 28 1HH1 ARG 28 12.442 5.859 1.206 254 HH12 ARG 28 2HH1 ARG 28 13.369 7.310 1.003 255 HH21 ARG 28 1HH2 ARG 28 11.575 8.436 -1.783 256 HH22 ARG 28 2HH2 ARG 28 12.870 8.774 -0.678 257 H GLY 29 H GLY 29 11.503 3.081 -5.221 258 HA2 GLY 29 2HA GLY 29 13.756 2.573 -5.775 259 HA3 GLY 29 1HA GLY 29 13.812 1.389 -4.472 260 H TRP 30 H TRP 30 11.223 0.244 -5.152 261 HA TRP 30 HA TRP 30 11.973 -1.444 -7.445 262 HD1 TRP 30 HD TRP 30 11.332 -1.635 -3.111 263 HE1 TRP 30 1HE TRP 30 13.348 -2.933 -2.193 264 HE3 TRP 30 3HE TRP 30 12.521 -4.361 -7.281 265 HZ2 TRP 30 2HZ TRP 30 15.192 -4.852 -3.104 266 HZ3 TRP 30 3HZ TRP 30 14.435 -5.902 -7.167 267 HH2 TRP 30 HH TRP 30 15.747 -6.143 -5.118 268 HB2 TRP 30 2HB TRP 30 9.836 -1.902 -5.306 269 HB3 TRP 30 1HB TRP 30 10.371 -3.067 -6.518 270 H SER 31 H SER 31 10.576 -1.735 -9.174 271 HA SER 31 HA SER 31 8.802 0.375 -9.886 272 HG SER 31 HG SER 31 10.602 0.070 -11.460 273 HB2 SER 31 2HB SER 31 9.149 -2.349 -11.215 274 HB3 SER 31 1HB SER 31 8.470 -0.899 -11.963 275 HA PRO 32 HA PRO 32 4.686 -0.834 -8.323 276 HB2 PRO 32 2HB PRO 32 3.980 -0.590 -11.267 277 HB3 PRO 32 1HB PRO 32 3.073 -0.030 -9.848 278 HG2 PRO 32 2HG PRO 32 4.556 1.698 -11.214 279 HG3 PRO 32 1HG PRO 32 4.556 1.751 -9.439 280 HD2 PRO 32 2HD PRO 32 6.679 0.749 -11.307 281 HD3 PRO 32 1HD PRO 32 6.845 1.507 -9.708 282 H LYS 33 H LYS 33 5.826 -2.449 -11.288 283 HA LYS 33 HA LYS 33 4.117 -4.722 -11.117 284 HB2 LYS 33 2HB LYS 33 5.546 -5.699 -12.860 285 HB3 LYS 33 1HB LYS 33 5.153 -4.023 -13.228 286 HG2 LYS 33 2HG LYS 33 7.396 -3.316 -12.455 287 HG3 LYS 33 1HG LYS 33 7.793 -4.996 -12.075 288 HD2 LYS 33 2HD LYS 33 7.502 -5.582 -14.476 289 HD3 LYS 33 1HD LYS 33 7.158 -3.887 -14.835 290 HE2 LYS 33 2HE LYS 33 9.429 -3.265 -14.090 291 HE3 LYS 33 1HE LYS 33 9.769 -4.955 -13.699 292 HZ1 LYS 33 3HZ LYS 33 9.428 -5.513 -16.027 293 HZ2 LYS 33 1HZ LYS 33 10.658 -4.368 -15.845 294 HZ3 LYS 33 2HZ LYS 33 9.132 -3.890 -16.395 295 H TYR 34 H TYR 34 7.312 -4.026 -9.780 296 HA TYR 34 HA TYR 34 7.799 -6.700 -8.783 297 HD1 TYR 34 1HD TYR 34 9.803 -7.516 -9.508 298 HD2 TYR 34 2HD TYR 34 10.612 -3.342 -9.920 299 HE1 TYR 34 1HE TYR 34 11.265 -7.991 -11.416 300 HE2 TYR 34 2HE TYR 34 12.072 -3.820 -11.841 301 HH TYR 34 HH TYR 34 13.426 -5.773 -12.674 302 HB2 TYR 34 2HB TYR 34 9.159 -4.032 -8.209 303 HB3 TYR 34 1HB TYR 34 9.678 -5.555 -7.490 304 H ASN 35 H ASN 35 6.128 -3.851 -7.667 305 HA ASN 35 HA ASN 35 6.185 -4.383 -4.860 306 HB2 ASN 35 2HB ASN 35 4.152 -2.753 -6.442 307 HB3 ASN 35 1HB ASN 35 4.387 -2.701 -4.702 308 HD21 ASN 35 1HD2 ASN 35 7.435 -2.816 -5.187 309 HD22 ASN 35 2HD2 ASN 35 7.820 -1.197 -5.641 310 H THR 36 H THR 36 4.080 -4.836 -3.589 311 HA THR 36 HA THR 36 2.391 -6.869 -4.857 312 HB THR 36 HB THR 36 4.441 -8.107 -4.148 313 HG1 THR 36 1HG THR 36 3.303 -9.728 -2.974 314 HG21 THR 36 3HG2 THR 36 3.688 -7.271 -1.323 315 HG22 THR 36 1HG2 THR 36 5.123 -6.750 -2.210 316 HG23 THR 36 2HG2 THR 36 4.937 -8.442 -1.750 317 H TRP 37 H TRP 37 0.903 -7.845 -3.102 318 HA TRP 37 HA TRP 37 -0.503 -5.621 -1.855 319 HD1 TRP 37 HD TRP 37 -0.876 -8.630 -4.819 320 HE1 TRP 37 1HE TRP 37 -2.116 -7.515 -6.773 321 HE3 TRP 37 3HE TRP 37 -3.543 -5.135 -2.209 322 HZ2 TRP 37 2HZ TRP 37 -3.957 -5.430 -7.169 323 HZ3 TRP 37 3HZ TRP 37 -5.019 -3.606 -3.453 324 HH2 TRP 37 HH TRP 37 -5.218 -3.759 -5.887 325 HB2 TRP 37 2HB TRP 37 -1.260 -8.562 -2.160 326 HB3 TRP 37 1HB TRP 37 -2.319 -7.299 -1.532 327 H GLU 38 H GLU 38 -0.998 -5.464 0.306 328 HA GLU 38 HA GLU 38 0.179 -7.329 2.249 329 HB2 GLU 38 2HB GLU 38 0.655 -4.306 2.246 330 HB3 GLU 38 1HB GLU 38 1.010 -5.350 3.616 331 HG2 GLU 38 2HG GLU 38 2.357 -5.365 0.905 332 HG3 GLU 38 1HG GLU 38 3.055 -4.850 2.436 333 HA PRO 39 HA PRO 39 -3.754 -6.685 4.297 334 HB2 PRO 39 2HB PRO 39 -3.102 -7.234 6.909 335 HB3 PRO 39 1HB PRO 39 -3.215 -8.482 5.660 336 HG2 PRO 39 2HG PRO 39 -0.748 -7.058 6.684 337 HG3 PRO 39 1HG PRO 39 -1.009 -8.804 6.445 338 HD2 PRO 39 2HD PRO 39 0.317 -7.337 4.621 339 HD3 PRO 39 1HD PRO 39 -0.778 -8.644 4.114 340 H GLU 40 H GLU 40 -4.867 -5.430 5.880 341 HA GLU 40 HA GLU 40 -4.348 -2.703 6.044 342 HB2 GLU 40 2HB GLU 40 -6.194 -2.721 7.771 343 HB3 GLU 40 1HB GLU 40 -6.579 -3.570 6.279 344 HG2 GLU 40 2HG GLU 40 -6.025 -5.728 7.396 345 HG3 GLU 40 1HG GLU 40 -5.756 -4.854 8.900 346 H GLU 41 H GLU 41 -3.526 -5.280 8.303 347 HA GLU 41 HA GLU 41 -2.854 -3.693 10.573 348 HB2 GLU 41 2HB GLU 41 -1.894 -5.810 11.464 349 HB3 GLU 41 1HB GLU 41 -3.486 -6.064 10.756 350 HG2 GLU 41 2HG GLU 41 -2.311 -6.845 8.642 351 HG3 GLU 41 1HG GLU 41 -0.804 -6.804 9.553 352 H ASN 42 H ASN 42 -1.128 -4.643 7.708 353 HA ASN 42 HA ASN 42 1.552 -4.264 8.655 354 HB2 ASN 42 2HB ASN 42 0.820 -5.707 6.675 355 HB3 ASN 42 1HB ASN 42 0.554 -4.228 5.766 356 HD21 ASN 42 1HD2 ASN 42 2.408 -6.515 5.406 357 HD22 ASN 42 2HD2 ASN 42 3.960 -5.797 5.225 358 H ILE 43 H ILE 43 -0.852 -2.311 6.918 359 HA ILE 43 HA ILE 43 0.843 0.057 6.856 360 HB ILE 43 HB ILE 43 -2.098 -0.211 6.101 361 HG12 ILE 43 2HG1 ILE 43 -0.721 -1.653 4.656 362 HG13 ILE 43 1HG1 ILE 43 -1.280 -0.262 3.734 363 HG21 ILE 43 1HG2 ILE 43 -1.782 1.925 4.902 364 HG22 ILE 43 2HG2 ILE 43 -0.115 2.013 5.465 365 HG23 ILE 43 3HG2 ILE 43 -1.443 2.121 6.620 366 HD11 ILE 43 3HD1 ILE 43 1.001 -0.749 3.188 367 HD12 ILE 43 1HD1 ILE 43 1.485 -0.673 4.878 368 HD13 ILE 43 2HD1 ILE 43 0.945 0.787 4.041 369 H LEU 44 H LEU 44 1.239 0.167 9.087 370 HA LEU 44 HA LEU 44 -0.954 0.955 10.881 371 HG LEU 44 HG LEU 44 0.906 -0.654 13.687 372 HB2 LEU 44 2HB LEU 44 1.225 -0.697 11.290 373 HB3 LEU 44 1HB LEU 44 1.864 0.805 11.917 374 HD11 LEU 44 1HD1 LEU 44 -0.664 1.921 13.374 375 HD12 LEU 44 2HD1 LEU 44 0.942 1.756 14.088 376 HD13 LEU 44 3HD1 LEU 44 -0.445 1.002 14.869 377 HD21 LEU 44 3HD2 LEU 44 -1.766 -0.246 12.295 378 HD22 LEU 44 1HD2 LEU 44 -1.512 -1.057 13.845 379 HD23 LEU 44 2HD2 LEU 44 -0.850 -1.754 12.369 380 H ASP 45 H ASP 45 1.657 2.270 9.024 381 HA ASP 45 HA ASP 45 2.070 4.715 10.432 382 HB2 ASP 45 2HB ASP 45 3.785 3.788 8.915 383 HB3 ASP 45 1HB ASP 45 2.706 3.977 7.541 384 HA PRO 46 HA PRO 46 -1.830 6.600 9.204 385 HB2 PRO 46 2HB PRO 46 -0.644 9.171 10.185 386 HB3 PRO 46 1HB PRO 46 -2.095 8.313 10.728 387 HG2 PRO 46 2HG PRO 46 0.132 8.338 12.225 388 HG3 PRO 46 1HG PRO 46 -0.887 6.884 12.139 389 HD2 PRO 46 2HD PRO 46 1.694 7.483 10.671 390 HD3 PRO 46 1HD PRO 46 1.199 5.993 11.511 391 H ARG 47 H ARG 47 1.281 7.904 8.066 392 HA ARG 47 HA ARG 47 0.135 9.820 6.231 393 HE ARG 47 HE ARG 47 4.822 9.128 6.672 394 HB2 ARG 47 2HB ARG 47 2.952 8.671 6.155 395 HB3 ARG 47 1HB ARG 47 2.394 10.157 5.387 396 HG2 ARG 47 2HG ARG 47 1.941 11.092 7.678 397 HG3 ARG 47 1HG ARG 47 2.666 9.634 8.364 398 HD2 ARG 47 2HD ARG 47 4.037 11.728 6.642 399 HD3 ARG 47 1HD ARG 47 4.315 11.409 8.356 400 HH11 ARG 47 1HH1 ARG 47 6.295 12.000 8.060 401 HH12 ARG 47 2HH1 ARG 47 7.913 11.454 7.760 402 HH21 ARG 47 1HH2 ARG 47 6.927 8.454 6.256 403 HH22 ARG 47 2HH2 ARG 47 8.268 9.445 6.739 404 H LEU 48 H LEU 48 1.150 6.455 6.039 405 HA LEU 48 HA LEU 48 0.768 6.095 3.221 406 HG LEU 48 HG LEU 48 2.821 5.033 5.489 407 HB2 LEU 48 2HB LEU 48 0.550 4.052 5.467 408 HB3 LEU 48 1HB LEU 48 0.716 3.679 3.756 409 HD11 LEU 48 1HD1 LEU 48 2.575 2.685 6.066 410 HD12 LEU 48 2HD1 LEU 48 4.102 2.952 5.229 411 HD13 LEU 48 3HD1 LEU 48 2.746 2.216 4.370 412 HD21 LEU 48 3HD2 LEU 48 2.975 4.215 2.568 413 HD22 LEU 48 1HD2 LEU 48 4.324 4.804 3.544 414 HD23 LEU 48 2HD2 LEU 48 2.961 5.864 3.199 415 H LEU 49 H LEU 49 -1.290 5.792 6.090 416 HA LEU 49 HA LEU 49 -3.682 4.958 4.798 417 HG LEU 49 HG LEU 49 -2.395 3.990 7.336 418 HB2 LEU 49 2HB LEU 49 -3.233 6.392 7.441 419 HB3 LEU 49 1HB LEU 49 -4.807 5.810 6.918 420 HD11 LEU 49 1HD1 LEU 49 -4.704 4.492 9.244 421 HD12 LEU 49 2HD1 LEU 49 -3.029 4.998 9.476 422 HD13 LEU 49 3HD1 LEU 49 -3.431 3.284 9.444 423 HD21 LEU 49 3HD2 LEU 49 -4.054 2.161 7.259 424 HD22 LEU 49 1HD2 LEU 49 -4.043 3.084 5.757 425 HD23 LEU 49 2HD2 LEU 49 -5.338 3.327 6.930 426 H ILE 50 H ILE 50 -2.162 8.120 5.151 427 HA ILE 50 HA ILE 50 -4.384 9.718 4.341 428 HB ILE 50 HB ILE 50 -1.383 10.232 4.154 429 HG12 ILE 50 2HG1 ILE 50 -3.522 11.388 6.004 430 HG13 ILE 50 1HG1 ILE 50 -2.336 10.170 6.453 431 HG21 ILE 50 1HG2 ILE 50 -1.889 12.597 3.626 432 HG22 ILE 50 2HG2 ILE 50 -3.604 12.206 3.496 433 HG23 ILE 50 3HG2 ILE 50 -2.453 11.516 2.350 434 HD11 ILE 50 3HD1 ILE 50 -1.698 12.326 7.314 435 HD12 ILE 50 1HD1 ILE 50 -1.761 13.035 5.700 436 HD13 ILE 50 2HD1 ILE 50 -0.540 11.819 6.086 437 H ALA 51 H ALA 51 -1.738 8.120 2.521 438 HA ALA 51 HA ALA 51 -2.422 8.915 -0.083 439 HB1 ALA 51 1HB ALA 51 -1.183 6.926 -0.855 440 HB2 ALA 51 2HB ALA 51 -1.221 6.263 0.781 441 HB3 ALA 51 3HB ALA 51 -0.322 7.744 0.450 442 H PHE 52 H PHE 52 -3.627 6.237 1.877 443 HA PHE 52 HA PHE 52 -5.486 5.073 0.117 444 HD1 PHE 52 1HD PHE 52 -7.396 3.120 0.939 445 HD2 PHE 52 2HD PHE 52 -6.890 5.330 4.567 446 HE1 PHE 52 1HE PHE 52 -9.632 2.434 1.688 447 HE2 PHE 52 2HE PHE 52 -9.127 4.631 5.302 448 HZ PHE 52 HZ PHE 52 -10.498 3.180 3.864 449 HB2 PHE 52 2HB PHE 52 -5.023 3.800 2.025 450 HB3 PHE 52 1HB PHE 52 -5.090 5.181 3.102 451 H GLN 53 H GLN 53 -6.018 7.619 2.610 452 HA GLN 53 HA GLN 53 -8.789 7.990 2.213 453 HB2 GLN 53 2HB GLN 53 -6.684 9.876 3.339 454 HB3 GLN 53 1HB GLN 53 -8.416 10.197 3.411 455 HG2 GLN 53 2HG GLN 53 -8.789 8.295 4.837 456 HG3 GLN 53 1HG GLN 53 -7.124 7.747 4.635 457 HE21 GLN 53 1HE2 GLN 53 -5.462 8.841 5.754 458 HE22 GLN 53 2HE2 GLN 53 -5.796 9.917 7.061 459 H ASN 54 H ASN 54 -6.013 9.560 0.737 460 HA ASN 54 HA ASN 54 -7.348 11.575 -0.745 461 HB2 ASN 54 2HB ASN 54 -4.623 10.242 -1.094 462 HB3 ASN 54 1HB ASN 54 -5.185 11.538 -2.151 463 HD21 ASN 54 1HD2 ASN 54 -3.451 12.825 -1.488 464 HD22 ASN 54 2HD2 ASN 54 -3.425 13.617 0.042 465 H ARG 55 H ARG 55 -6.428 8.218 -1.466 466 HA ARG 55 HA ARG 55 -7.301 8.231 -4.193 467 HE ARG 55 HE ARG 55 -6.427 4.809 -7.422 468 HB2 ARG 55 2HB ARG 55 -5.605 6.628 -3.263 469 HB3 ARG 55 1HB ARG 55 -6.876 5.852 -2.326 470 HG2 ARG 55 2HG ARG 55 -6.321 4.573 -4.367 471 HG3 ARG 55 1HG ARG 55 -7.998 5.127 -4.383 472 HD2 ARG 55 2HD ARG 55 -7.270 7.059 -5.834 473 HD3 ARG 55 1HD ARG 55 -5.664 6.339 -5.908 474 HH11 ARG 55 1HH1 ARG 55 -9.278 6.266 -5.934 475 HH12 ARG 55 2HH1 ARG 55 -10.344 5.711 -7.184 476 HH21 ARG 55 1HH2 ARG 55 -7.856 4.079 -9.023 477 HH22 ARG 55 2HH2 ARG 55 -9.542 4.482 -8.925 478 H GLU 56 H GLU 56 -8.922 7.817 -1.139 479 HA GLU 56 HA GLU 56 -11.334 6.598 -2.184 480 HB2 GLU 56 2HB GLU 56 -10.766 7.910 0.511 481 HB3 GLU 56 1HB GLU 56 -12.238 7.028 0.113 482 HG2 GLU 56 2HG GLU 56 -9.446 5.856 0.213 483 HG3 GLU 56 1HG GLU 56 -10.691 5.665 1.439 484 H ARG 57 H ARG 57 -10.144 9.865 -1.750 485 HA ARG 57 HA ARG 57 -12.832 10.976 -2.362 486 HE ARG 57 HE ARG 57 -10.415 14.892 -0.550 487 HB2 ARG 57 2HB ARG 57 -11.832 11.498 -0.081 488 HB3 ARG 57 1HB ARG 57 -10.559 12.394 -0.901 489 HG2 ARG 57 2HG ARG 57 -12.296 13.921 -1.855 490 HG3 ARG 57 1HG ARG 57 -13.536 13.035 -0.966 491 HD2 ARG 57 2HD ARG 57 -12.937 15.093 0.205 492 HD3 ARG 57 1HD ARG 57 -12.462 13.684 1.159 493 HH11 ARG 57 1HH1 ARG 57 -11.691 14.535 2.684 494 HH12 ARG 57 2HH1 ARG 57 -10.267 15.160 3.444 495 HH21 ARG 57 1HH2 ARG 57 -8.537 15.664 0.453 496 HH22 ARG 57 2HH2 ARG 57 -8.480 15.797 2.181 497 H GLN 58 H GLN 58 -10.151 10.215 -4.008 498 HA GLN 58 HA GLN 58 -9.446 12.660 -5.314 499 HB2 GLN 58 2HB GLN 58 -8.204 11.263 -6.922 500 HB3 GLN 58 1HB GLN 58 -7.877 10.770 -5.271 501 HG2 GLN 58 2HG GLN 58 -8.050 8.729 -6.368 502 HG3 GLN 58 1HG GLN 58 -9.661 8.915 -5.694 503 HE21 GLN 58 1HE2 GLN 58 -8.499 10.605 -8.558 504 HE22 GLN 58 2HE2 GLN 58 -9.495 9.768 -9.686 505 H GLU 59 H GLU 59 -9.966 13.365 -7.420 506 HA GLU 59 HA GLU 59 -12.685 12.754 -8.316 507 HB2 GLU 59 2HB GLU 59 -11.799 15.131 -8.109 508 HB3 GLU 59 1HB GLU 59 -10.695 14.787 -9.433 509 HG2 GLU 59 2HG GLU 59 -12.523 15.967 -10.387 510 HG3 GLU 59 1HG GLU 59 -12.743 14.285 -10.864 511 H GLN 60 H GLN 60 -12.862 11.013 -9.620 512 HA GLN 60 HA GLN 60 -10.757 9.688 -10.894 513 HB2 GLN 60 2HB GLN 60 -12.383 8.179 -11.874 514 HB3 GLN 60 1HB GLN 60 -12.860 8.549 -10.231 515 HG2 GLN 60 2HG GLN 60 -14.121 9.740 -12.722 516 HG3 GLN 60 1HG GLN 60 -14.777 8.400 -11.786 517 HE21 GLN 60 1HE2 GLN 60 -14.213 11.837 -11.859 518 HE22 GLN 60 2HE2 GLN 60 -15.283 12.239 -10.566 Start of MODEL 16 1 H1 GLY 1 1HT GLY 1 22.957 5.073 3.785 2 H2 GLY 1 2HT GLY 1 21.952 6.281 4.389 3 H3 GLY 1 3HT GLY 1 23.161 6.670 3.278 4 HA2 GLY 1 1HA GLY 1 21.027 6.647 2.197 5 HA3 GLY 1 2HA GLY 1 22.072 5.372 1.580 6 H SER 2 H SER 2 19.026 5.830 2.029 7 HA SER 2 HA SER 2 18.380 3.230 3.296 8 HG SER 2 HG SER 2 16.709 6.740 3.047 9 HB2 SER 2 2HB SER 2 16.017 4.151 3.289 10 HB3 SER 2 1HB SER 2 17.147 5.093 4.258 11 H GLU 3 H GLU 3 19.638 3.299 0.776 12 HA GLU 3 HA GLU 3 17.843 3.426 -1.443 13 HB2 GLU 3 2HB GLU 3 20.548 2.039 -1.522 14 HB3 GLU 3 1HB GLU 3 19.733 2.935 -2.799 15 HG2 GLU 3 2HG GLU 3 21.157 4.045 -0.360 16 HG3 GLU 3 1HG GLU 3 21.647 4.178 -2.046 17 H HIS 4 H HIS 4 19.715 0.720 -0.067 18 HA HIS 4 HA HIS 4 18.022 -1.297 -1.364 19 HD1 HIS 4 1HD HIS 4 21.735 -3.556 -1.926 20 HD2 HIS 4 2HD HIS 4 20.227 0.230 -2.738 21 HE1 HIS 4 1HE HIS 4 22.811 -2.855 -4.087 22 HE2 HIS 4 2HE HIS 4 21.749 -0.641 -4.632 23 HB2 HIS 4 2HB HIS 4 20.621 -1.517 0.218 24 HB3 HIS 4 1HB HIS 4 19.753 -2.906 -0.426 25 H VAL 5 H VAL 5 17.853 0.427 1.406 26 HA VAL 5 HA VAL 5 16.990 -1.595 3.293 27 HB VAL 5 HB VAL 5 16.789 1.459 3.336 28 HG11 VAL 5 1HG1 VAL 5 16.249 -0.482 5.617 29 HG12 VAL 5 2HG1 VAL 5 15.051 0.525 4.799 30 HG13 VAL 5 3HG1 VAL 5 16.323 1.277 5.762 31 HG21 VAL 5 3HG2 VAL 5 18.697 1.370 4.904 32 HG22 VAL 5 1HG2 VAL 5 19.117 0.641 3.351 33 HG23 VAL 5 2HG2 VAL 5 18.762 -0.388 4.742 34 H PHE 6 H PHE 6 14.976 -2.509 3.218 35 HA PHE 6 HA PHE 6 12.950 -1.566 1.414 36 HD1 PHE 6 1HD PHE 6 14.805 -4.502 3.796 37 HD2 PHE 6 2HD PHE 6 10.594 -3.889 4.261 38 HE1 PHE 6 1HE PHE 6 14.879 -5.584 6.011 39 HE2 PHE 6 2HE PHE 6 10.684 -4.972 6.472 40 HZ PHE 6 HZ PHE 6 12.825 -5.818 7.347 41 HB2 PHE 6 2HB PHE 6 11.620 -3.496 2.108 42 HB3 PHE 6 1HB PHE 6 13.274 -3.993 1.803 43 H ALA 7 H ALA 7 11.382 -0.185 1.806 44 HA ALA 7 HA ALA 7 10.122 0.174 4.385 45 HB1 ALA 7 1HB ALA 7 11.626 2.484 3.086 46 HB2 ALA 7 2HB ALA 7 12.064 1.684 4.594 47 HB3 ALA 7 3HB ALA 7 10.567 2.614 4.495 48 H VAL 8 H VAL 8 8.000 0.865 4.090 49 HA VAL 8 HA VAL 8 6.971 0.685 1.405 50 HB VAL 8 HB VAL 8 5.353 1.468 3.848 51 HG11 VAL 8 1HG1 VAL 8 4.192 1.702 1.676 52 HG12 VAL 8 2HG1 VAL 8 3.477 0.395 2.620 53 HG13 VAL 8 3HG1 VAL 8 4.567 0.020 1.283 54 HG21 VAL 8 3HG2 VAL 8 4.884 -0.916 4.264 55 HG22 VAL 8 1HG2 VAL 8 6.607 -0.570 4.441 56 HG23 VAL 8 2HG2 VAL 8 6.011 -1.370 2.983 57 H GLU 9 H GLU 9 5.679 2.359 0.365 58 HA GLU 9 HA GLU 9 6.913 5.025 0.764 59 HB2 GLU 9 2HB GLU 9 7.735 3.573 -1.205 60 HB3 GLU 9 1HB GLU 9 6.141 3.764 -1.917 61 HG2 GLU 9 2HG GLU 9 7.960 6.102 -1.239 62 HG3 GLU 9 1HG GLU 9 8.009 5.273 -2.791 63 H SER 10 H SER 10 4.104 3.294 -0.687 64 HA SER 10 HA SER 10 2.215 5.248 0.338 65 HG SER 10 HG SER 10 3.884 6.633 -1.441 66 HB2 SER 10 2HB SER 10 2.701 5.026 -2.667 67 HB3 SER 10 1HB SER 10 1.242 5.740 -1.976 68 H ILE 11 H ILE 11 -0.052 4.662 -0.279 69 HA ILE 11 HA ILE 11 -0.475 1.811 -0.939 70 HB ILE 11 HB ILE 11 -2.340 3.942 0.218 71 HG12 ILE 11 2HG1 ILE 11 -1.424 1.252 1.333 72 HG13 ILE 11 1HG1 ILE 11 -0.779 2.816 1.818 73 HG21 ILE 11 1HG2 ILE 11 -4.166 2.256 0.240 74 HG22 ILE 11 2HG2 ILE 11 -3.148 1.142 -0.672 75 HG23 ILE 11 3HG2 ILE 11 -3.672 2.658 -1.409 76 HD11 ILE 11 3HD1 ILE 11 -2.977 3.418 2.742 77 HD12 ILE 11 1HD1 ILE 11 -2.322 1.952 3.467 78 HD13 ILE 11 2HD1 ILE 11 -3.607 1.836 2.264 79 H GLU 12 H GLU 12 -0.899 1.359 -2.998 80 HA GLU 12 HA GLU 12 -1.406 3.417 -4.980 81 HB2 GLU 12 2HB GLU 12 -0.941 0.417 -5.282 82 HB3 GLU 12 1HB GLU 12 -1.078 1.562 -6.616 83 HG2 GLU 12 2HG GLU 12 1.088 1.547 -4.491 84 HG3 GLU 12 1HG GLU 12 1.256 0.966 -6.150 85 H LYS 13 H LYS 13 -3.002 0.481 -3.739 86 HA LYS 13 HA LYS 13 -5.598 1.352 -4.826 87 HB2 LYS 13 2HB LYS 13 -4.392 -1.423 -5.236 88 HB3 LYS 13 1HB LYS 13 -6.057 -0.990 -5.617 89 HG2 LYS 13 2HG LYS 13 -5.248 0.587 -7.341 90 HG3 LYS 13 1HG LYS 13 -3.576 0.174 -6.936 91 HD2 LYS 13 2HD LYS 13 -4.019 -2.184 -7.630 92 HD3 LYS 13 1HD LYS 13 -5.671 -1.731 -8.068 93 HE2 LYS 13 2HE LYS 13 -4.763 -0.144 -9.749 94 HE3 LYS 13 1HE LYS 13 -3.123 -0.656 -9.334 95 HZ1 LYS 13 3HZ LYS 13 -3.696 -2.890 -10.041 96 HZ2 LYS 13 1HZ LYS 13 -3.936 -1.783 -11.294 97 HZ3 LYS 13 2HZ LYS 13 -5.259 -2.391 -10.440 98 H LYS 14 H LYS 14 -7.386 -0.009 -3.946 99 HA LYS 14 HA LYS 14 -7.042 -1.167 -1.302 100 HB2 LYS 14 2HB LYS 14 -7.207 0.865 -0.255 101 HB3 LYS 14 1HB LYS 14 -7.711 1.697 -1.700 102 HG2 LYS 14 2HG LYS 14 -9.357 2.058 -0.049 103 HG3 LYS 14 1HG LYS 14 -10.053 0.985 -1.257 104 HD2 LYS 14 2HD LYS 14 -9.844 -0.920 0.259 105 HD3 LYS 14 1HD LYS 14 -8.979 0.068 1.440 106 HE2 LYS 14 2HE LYS 14 -11.456 -0.327 1.923 107 HE3 LYS 14 1HE LYS 14 -10.933 1.356 1.949 108 HZ1 LYS 14 3HZ LYS 14 -12.238 0.048 -0.376 109 HZ2 LYS 14 1HZ LYS 14 -11.860 1.682 -0.219 110 HZ3 LYS 14 2HZ LYS 14 -13.048 0.992 0.766 111 H ARG 15 H ARG 15 -8.644 -2.559 -0.856 112 HA ARG 15 HA ARG 15 -11.329 -2.307 -1.967 113 HE ARG 15 HE ARG 15 -8.576 -4.313 -5.024 114 HB2 ARG 15 2HB ARG 15 -11.424 -4.640 -2.815 115 HB3 ARG 15 1HB ARG 15 -10.248 -3.691 -3.718 116 HG2 ARG 15 2HG ARG 15 -9.233 -5.292 -1.378 117 HG3 ARG 15 1HG ARG 15 -9.709 -6.184 -2.827 118 HD2 ARG 15 2HD ARG 15 -7.729 -3.873 -2.817 119 HD3 ARG 15 1HD ARG 15 -7.260 -5.579 -2.690 120 HH11 ARG 15 1HH1 ARG 15 -6.611 -6.911 -3.722 121 HH12 ARG 15 2HH1 ARG 15 -6.331 -7.634 -5.274 122 HH21 ARG 15 1HH2 ARG 15 -8.161 -5.250 -7.052 123 HH22 ARG 15 2HH2 ARG 15 -7.206 -6.696 -7.149 124 H ILE 16 H ILE 16 -12.871 -3.573 -0.817 125 HA ILE 16 HA ILE 16 -11.934 -5.221 1.459 126 HB ILE 16 HB ILE 16 -14.400 -3.405 1.468 127 HG12 ILE 16 2HG1 ILE 16 -11.930 -3.442 3.232 128 HG13 ILE 16 1HG1 ILE 16 -12.233 -2.258 1.958 129 HG21 ILE 16 1HG2 ILE 16 -14.868 -4.300 3.756 130 HG22 ILE 16 2HG2 ILE 16 -13.543 -5.454 3.578 131 HG23 ILE 16 3HG2 ILE 16 -14.960 -5.571 2.534 132 HD11 ILE 16 3HD1 ILE 16 -14.199 -1.468 3.225 133 HD12 ILE 16 1HD1 ILE 16 -12.686 -1.300 4.114 134 HD13 ILE 16 2HD1 ILE 16 -13.798 -2.609 4.512 135 H ARG 17 H ARG 17 -12.499 -7.222 1.181 136 HA ARG 17 HA ARG 17 -15.151 -8.015 0.521 137 HE ARG 17 HE ARG 17 -13.132 -10.861 -3.206 138 HB2 ARG 17 2HB ARG 17 -14.151 -7.647 -1.785 139 HB3 ARG 17 1HB ARG 17 -12.970 -8.907 -1.441 140 HG2 ARG 17 2HG ARG 17 -14.720 -10.591 -1.316 141 HG3 ARG 17 1HG ARG 17 -15.982 -9.362 -1.459 142 HD2 ARG 17 2HD ARG 17 -15.664 -10.527 -3.588 143 HD3 ARG 17 1HD ARG 17 -15.193 -8.833 -3.748 144 HH11 ARG 17 1HH1 ARG 17 -14.460 -8.517 -5.461 145 HH12 ARG 17 2HH1 ARG 17 -13.103 -8.625 -6.534 146 HH21 ARG 17 1HH2 ARG 17 -11.370 -10.980 -4.633 147 HH22 ARG 17 2HH2 ARG 17 -11.375 -10.001 -6.068 148 H LYS 18 H LYS 18 -15.523 -10.217 1.027 149 HA LYS 18 HA LYS 18 -15.413 -12.036 2.352 150 HB2 LYS 18 2HB LYS 18 -13.533 -12.610 0.736 151 HB3 LYS 18 1HB LYS 18 -12.391 -11.969 1.905 152 HG2 LYS 18 2HG LYS 18 -12.997 -13.725 3.512 153 HG3 LYS 18 1HG LYS 18 -14.229 -14.346 2.408 154 HD2 LYS 18 2HD LYS 18 -11.218 -14.303 1.888 155 HD3 LYS 18 1HD LYS 18 -12.166 -15.723 2.348 156 HE2 LYS 18 2HE LYS 18 -13.493 -15.464 0.241 157 HE3 LYS 18 1HE LYS 18 -12.437 -14.127 -0.228 158 HZ1 LYS 18 3HZ LYS 18 -10.571 -15.678 -0.152 159 HZ2 LYS 18 1HZ LYS 18 -11.742 -16.144 -1.271 160 HZ3 LYS 18 2HZ LYS 18 -11.625 -16.946 0.211 161 H GLY 19 H GLY 19 -15.277 -9.343 3.423 162 HA2 GLY 19 2HA GLY 19 -15.141 -8.262 5.431 163 HA3 GLY 19 1HA GLY 19 -14.815 -9.818 6.179 164 H ARG 20 H ARG 20 -12.767 -8.505 3.634 165 HA ARG 20 HA ARG 20 -10.579 -8.065 5.577 166 HE ARG 20 HE ARG 20 -7.713 -10.122 5.435 167 HB2 ARG 20 2HB ARG 20 -10.451 -9.743 3.032 168 HB3 ARG 20 1HB ARG 20 -9.032 -9.202 3.923 169 HG2 ARG 20 2HG ARG 20 -11.191 -11.059 4.987 170 HG3 ARG 20 1HG ARG 20 -9.587 -11.543 4.421 171 HD2 ARG 20 2HD ARG 20 -10.174 -9.746 6.810 172 HD3 ARG 20 1HD ARG 20 -9.676 -11.440 6.892 173 HH11 ARG 20 1HH1 ARG 20 -8.957 -9.871 8.722 174 HH12 ARG 20 2HH1 ARG 20 -7.447 -9.321 9.374 175 HH21 ARG 20 1HH2 ARG 20 -5.756 -9.392 6.326 176 HH22 ARG 20 2HH2 ARG 20 -5.648 -9.073 8.030 177 H VAL 21 H VAL 21 -9.729 -6.137 5.316 178 HA VAL 21 HA VAL 21 -9.880 -4.715 2.741 179 HB VAL 21 HB VAL 21 -10.680 -3.403 4.621 180 HG11 VAL 21 1HG1 VAL 21 -9.282 -2.772 6.556 181 HG12 VAL 21 2HG1 VAL 21 -8.002 -3.842 5.978 182 HG13 VAL 21 3HG1 VAL 21 -9.554 -4.516 6.479 183 HG21 VAL 21 3HG2 VAL 21 -7.960 -2.373 3.712 184 HG22 VAL 21 1HG2 VAL 21 -9.246 -1.390 4.421 185 HG23 VAL 21 2HG2 VAL 21 -9.491 -2.170 2.857 186 H GLU 22 H GLU 22 -8.123 -4.596 1.456 187 HA GLU 22 HA GLU 22 -5.419 -4.919 2.581 188 HB2 GLU 22 2HB GLU 22 -4.768 -6.386 0.650 189 HB3 GLU 22 1HB GLU 22 -5.925 -7.139 1.744 190 HG2 GLU 22 2HG GLU 22 -7.744 -6.745 0.206 191 HG3 GLU 22 1HG GLU 22 -6.704 -5.785 -0.844 192 H TYR 23 H TYR 23 -3.738 -4.176 1.172 193 HA TYR 23 HA TYR 23 -4.498 -1.954 -0.615 194 HD1 TYR 23 2HD TYR 23 -5.555 0.001 0.341 195 HD2 TYR 23 1HD TYR 23 -3.612 -1.530 3.820 196 HE1 TYR 23 2HE TYR 23 -7.335 0.913 1.747 197 HE2 TYR 23 1HE TYR 23 -5.413 -0.618 5.221 198 HH TYR 23 HH TYR 23 -7.077 1.166 5.118 199 HB2 TYR 23 2HB TYR 23 -2.553 -1.784 1.733 200 HB3 TYR 23 1HB TYR 23 -2.872 -0.494 0.579 201 H LEU 24 H LEU 24 -3.092 -1.692 -2.329 202 HA LEU 24 HA LEU 24 -0.879 -3.527 -2.705 203 HG LEU 24 HG LEU 24 0.553 -1.978 -5.052 204 HB2 LEU 24 2HB LEU 24 -2.369 -2.712 -4.579 205 HB3 LEU 24 1HB LEU 24 -1.683 -1.110 -4.381 206 HD11 LEU 24 1HD1 LEU 24 0.801 -4.229 -5.993 207 HD12 LEU 24 2HD1 LEU 24 -0.854 -4.623 -5.518 208 HD13 LEU 24 3HD1 LEU 24 0.366 -4.289 -4.285 209 HD21 LEU 24 3HD2 LEU 24 -1.613 -2.657 -7.067 210 HD22 LEU 24 1HD2 LEU 24 0.088 -2.346 -7.429 211 HD23 LEU 24 2HD2 LEU 24 -0.926 -1.053 -6.791 212 H VAL 25 H VAL 25 0.923 -3.167 -1.496 213 HA VAL 25 HA VAL 25 1.599 -0.514 -0.525 214 HB VAL 25 HB VAL 25 3.558 -1.664 0.617 215 HG11 VAL 25 1HG1 VAL 25 2.161 -2.716 2.385 216 HG12 VAL 25 2HG1 VAL 25 0.767 -2.703 1.299 217 HG13 VAL 25 3HG1 VAL 25 1.486 -1.179 1.840 218 HG21 VAL 25 3HG2 VAL 25 3.529 -4.143 0.845 219 HG22 VAL 25 1HG2 VAL 25 3.791 -3.659 -0.833 220 HG23 VAL 25 2HG2 VAL 25 2.207 -4.243 -0.321 221 H LYS 26 H LYS 26 2.521 0.777 -1.830 222 HA LYS 26 HA LYS 26 4.303 0.164 -3.963 223 HB2 LYS 26 2HB LYS 26 2.880 2.188 -3.946 224 HB3 LYS 26 1HB LYS 26 3.673 2.767 -2.492 225 HG2 LYS 26 2HG LYS 26 4.472 4.012 -4.383 226 HG3 LYS 26 1HG LYS 26 5.784 3.016 -3.747 227 HD2 LYS 26 2HD LYS 26 5.404 1.370 -5.573 228 HD3 LYS 26 1HD LYS 26 4.104 2.387 -6.213 229 HE2 LYS 26 2HE LYS 26 6.234 2.707 -7.443 230 HE3 LYS 26 1HE LYS 26 5.711 4.195 -6.651 231 HZ1 LYS 26 3HZ LYS 26 8.043 3.857 -6.316 232 HZ2 LYS 26 1HZ LYS 26 7.792 2.318 -5.665 233 HZ3 LYS 26 2HZ LYS 26 7.255 3.691 -4.835 234 H TRP 27 H TRP 27 6.325 -0.589 -3.557 235 HA TRP 27 HA TRP 27 7.821 0.198 -1.165 236 HD1 TRP 27 HD TRP 27 6.476 -3.559 -2.880 237 HE1 TRP 27 1HE TRP 27 5.731 -4.880 -0.798 238 HE3 TRP 27 3HE TRP 27 9.368 -1.238 0.663 239 HZ2 TRP 27 2HZ TRP 27 6.270 -4.921 1.957 240 HZ3 TRP 27 3HZ TRP 27 9.164 -1.966 3.007 241 HH2 TRP 27 HH TRP 27 7.657 -3.784 3.637 242 HB2 TRP 27 2HB TRP 27 8.436 -1.835 -3.365 243 HB3 TRP 27 1HB TRP 27 9.524 -1.488 -2.022 244 H ARG 28 H ARG 28 9.936 1.091 -1.271 245 HA ARG 28 HA ARG 28 10.242 3.190 -3.210 246 HE ARG 28 HE ARG 28 11.704 6.173 -0.356 247 HB2 ARG 28 2HB ARG 28 12.208 2.235 -1.080 248 HB3 ARG 28 1HB ARG 28 12.269 3.783 -1.932 249 HG2 ARG 28 2HG ARG 28 10.074 4.389 -0.868 250 HG3 ARG 28 1HG ARG 28 10.132 2.875 0.041 251 HD2 ARG 28 2HD ARG 28 10.915 4.669 1.465 252 HD3 ARG 28 1HD ARG 28 12.301 3.643 1.065 253 HH11 ARG 28 1HH1 ARG 28 14.054 4.127 1.244 254 HH12 ARG 28 2HH1 ARG 28 15.368 5.216 0.948 255 HH21 ARG 28 1HH2 ARG 28 13.417 7.572 -0.732 256 HH22 ARG 28 2HH2 ARG 28 14.999 7.181 -0.150 257 H GLY 29 H GLY 29 11.280 3.072 -5.122 258 HA2 GLY 29 2HA GLY 29 12.980 2.499 -6.640 259 HA3 GLY 29 1HA GLY 29 13.437 1.134 -5.633 260 H TRP 30 H TRP 30 10.690 0.188 -5.358 261 HA TRP 30 HA TRP 30 10.438 -1.282 -7.876 262 HD1 TRP 30 HD TRP 30 11.079 -2.047 -3.532 263 HE1 TRP 30 1HE TRP 30 13.093 -3.638 -3.461 264 HE3 TRP 30 3HE TRP 30 10.730 -4.036 -8.234 265 HZ2 TRP 30 2HZ TRP 30 14.377 -5.484 -5.157 266 HZ3 TRP 30 3HZ TRP 30 12.386 -5.706 -8.935 267 HH2 TRP 30 HH TRP 30 14.177 -6.420 -7.428 268 HB2 TRP 30 2HB TRP 30 9.059 -1.712 -5.180 269 HB3 TRP 30 1HB TRP 30 8.975 -2.793 -6.567 270 H SER 31 H SER 31 8.954 -0.744 -9.326 271 HA SER 31 HA SER 31 6.948 1.264 -8.995 272 HG SER 31 HG SER 31 8.386 0.949 -12.250 273 HB2 SER 31 2HB SER 31 7.266 -0.818 -11.213 274 HB3 SER 31 1HB SER 31 6.334 0.679 -11.320 275 HA PRO 32 HA PRO 32 3.327 -0.872 -7.382 276 HB2 PRO 32 2HB PRO 32 1.368 -0.460 -9.407 277 HB3 PRO 32 1HB PRO 32 1.726 0.623 -8.057 278 HG2 PRO 32 2HG PRO 32 2.747 0.707 -10.891 279 HG3 PRO 32 1HG PRO 32 2.236 2.048 -9.841 280 HD2 PRO 32 2HD PRO 32 4.825 1.597 -10.227 281 HD3 PRO 32 1HD PRO 32 4.247 2.000 -8.593 282 H LYS 33 H LYS 33 4.185 -1.770 -10.693 283 HA LYS 33 HA LYS 33 2.775 -4.281 -10.770 284 HB2 LYS 33 2HB LYS 33 4.069 -4.718 -12.827 285 HB3 LYS 33 1HB LYS 33 3.377 -3.098 -12.837 286 HG2 LYS 33 2HG LYS 33 5.582 -2.146 -12.227 287 HG3 LYS 33 1HG LYS 33 6.272 -3.769 -12.187 288 HD2 LYS 33 2HD LYS 33 6.865 -2.687 -14.285 289 HD3 LYS 33 1HD LYS 33 5.766 -4.031 -14.612 290 HE2 LYS 33 2HE LYS 33 3.885 -2.420 -14.797 291 HE3 LYS 33 1HE LYS 33 5.004 -1.088 -14.497 292 HZ1 LYS 33 3HZ LYS 33 5.065 -2.953 -16.801 293 HZ2 LYS 33 1HZ LYS 33 6.192 -1.730 -16.509 294 HZ3 LYS 33 2HZ LYS 33 4.585 -1.334 -16.826 295 H TYR 34 H TYR 34 5.886 -3.266 -9.610 296 HA TYR 34 HA TYR 34 6.808 -6.003 -9.025 297 HD1 TYR 34 1HD TYR 34 8.743 -6.533 -10.505 298 HD2 TYR 34 2HD TYR 34 8.740 -2.256 -10.653 299 HE1 TYR 34 1HE TYR 34 9.505 -6.608 -12.839 300 HE2 TYR 34 2HE TYR 34 9.499 -2.342 -12.992 301 HH TYR 34 HH TYR 34 10.700 -3.901 -14.469 302 HB2 TYR 34 2HB TYR 34 8.187 -3.305 -8.621 303 HB3 TYR 34 1HB TYR 34 8.923 -4.878 -8.349 304 H ASN 35 H ASN 35 4.532 -4.461 -7.651 305 HA ASN 35 HA ASN 35 5.471 -4.688 -4.851 306 HB2 ASN 35 2HB ASN 35 3.355 -2.848 -6.045 307 HB3 ASN 35 1HB ASN 35 3.648 -3.029 -4.317 308 HD21 ASN 35 1HD2 ASN 35 6.619 -3.191 -4.691 309 HD22 ASN 35 2HD2 ASN 35 7.108 -1.581 -5.065 310 H THR 36 H THR 36 3.462 -5.056 -3.359 311 HA THR 36 HA THR 36 1.752 -7.187 -4.480 312 HB THR 36 HB THR 36 3.766 -8.336 -3.644 313 HG1 THR 36 1HG THR 36 1.859 -8.855 -1.624 314 HG21 THR 36 3HG2 THR 36 3.166 -7.052 -0.955 315 HG22 THR 36 1HG2 THR 36 4.533 -6.666 -2.006 316 HG23 THR 36 2HG2 THR 36 4.409 -8.264 -1.272 317 H TRP 37 H TRP 37 0.149 -7.927 -2.822 318 HA TRP 37 HA TRP 37 -1.135 -5.639 -1.558 319 HD1 TRP 37 HD TRP 37 -1.568 -8.605 -4.561 320 HE1 TRP 37 1HE TRP 37 -2.516 -7.323 -6.572 321 HE3 TRP 37 3HE TRP 37 -4.038 -4.894 -2.068 322 HZ2 TRP 37 2HZ TRP 37 -4.075 -5.038 -7.051 323 HZ3 TRP 37 3HZ TRP 37 -5.226 -3.185 -3.374 324 HH2 TRP 37 HH TRP 37 -5.244 -3.264 -5.823 325 HB2 TRP 37 2HB TRP 37 -2.102 -8.510 -1.934 326 HB3 TRP 37 1HB TRP 37 -3.087 -7.164 -1.358 327 H GLU 38 H GLU 38 -1.061 -5.230 0.531 328 HA GLU 38 HA GLU 38 -0.797 -7.342 2.539 329 HB2 GLU 38 2HB GLU 38 0.746 -4.701 2.526 330 HB3 GLU 38 1HB GLU 38 0.578 -5.728 3.945 331 HG2 GLU 38 2HG GLU 38 1.677 -7.581 2.576 332 HG3 GLU 38 1HG GLU 38 2.044 -6.347 1.368 333 HA PRO 39 HA PRO 39 -4.616 -5.416 3.935 334 HB2 PRO 39 2HB PRO 39 -4.730 -6.513 6.491 335 HB3 PRO 39 1HB PRO 39 -5.155 -7.379 5.010 336 HG2 PRO 39 2HG PRO 39 -2.563 -7.409 6.549 337 HG3 PRO 39 1HG PRO 39 -3.475 -8.776 5.869 338 HD2 PRO 39 2HD PRO 39 -1.324 -7.784 4.602 339 HD3 PRO 39 1HD PRO 39 -2.739 -8.347 3.688 340 H GLU 40 H GLU 40 -5.526 -4.278 5.929 341 HA GLU 40 HA GLU 40 -4.183 -1.855 6.427 342 HB2 GLU 40 2HB GLU 40 -6.637 -2.083 6.546 343 HB3 GLU 40 1HB GLU 40 -6.498 -3.128 7.951 344 HG2 GLU 40 2HG GLU 40 -7.186 -0.974 8.722 345 HG3 GLU 40 1HG GLU 40 -5.524 -1.215 9.235 346 H GLU 41 H GLU 41 -4.336 -4.834 8.321 347 HA GLU 41 HA GLU 41 -3.084 -3.925 10.710 348 HB2 GLU 41 2HB GLU 41 -2.726 -6.368 11.178 349 HB3 GLU 41 1HB GLU 41 -4.388 -5.967 10.754 350 HG2 GLU 41 2HG GLU 41 -3.979 -6.780 8.443 351 HG3 GLU 41 1HG GLU 41 -2.334 -7.229 8.901 352 H ASN 42 H ASN 42 -1.823 -4.530 7.591 353 HA ASN 42 HA ASN 42 0.982 -4.738 8.500 354 HB2 ASN 42 2HB ASN 42 -0.280 -5.082 5.748 355 HB3 ASN 42 1HB ASN 42 1.451 -5.163 6.058 356 HD21 ASN 42 1HD2 ASN 42 1.338 -7.280 5.134 357 HD22 ASN 42 2HD2 ASN 42 0.793 -8.628 6.067 358 H ILE 43 H ILE 43 -1.168 -2.318 7.927 359 HA ILE 43 HA ILE 43 0.799 -0.453 6.754 360 HB ILE 43 HB ILE 43 -2.209 -0.100 7.179 361 HG12 ILE 43 2HG1 ILE 43 -1.720 -1.725 5.386 362 HG13 ILE 43 1HG1 ILE 43 -2.393 -0.250 4.714 363 HG21 ILE 43 1HG2 ILE 43 -0.240 1.788 5.825 364 HG22 ILE 43 2HG2 ILE 43 -1.102 2.077 7.339 365 HG23 ILE 43 3HG2 ILE 43 -1.996 1.971 5.823 366 HD11 ILE 43 3HD1 ILE 43 -0.622 -1.142 3.322 367 HD12 ILE 43 1HD1 ILE 43 0.519 -1.043 4.662 368 HD13 ILE 43 2HD1 ILE 43 -0.162 0.433 3.969 369 H LEU 44 H LEU 44 2.103 -0.144 8.551 370 HA LEU 44 HA LEU 44 0.915 1.414 10.784 371 HG LEU 44 HG LEU 44 2.294 -1.353 12.941 372 HB2 LEU 44 2HB LEU 44 3.303 -0.489 10.801 373 HB3 LEU 44 1HB LEU 44 3.066 0.717 12.049 374 HD11 LEU 44 1HD1 LEU 44 -0.036 -0.945 13.473 375 HD12 LEU 44 2HD1 LEU 44 -0.160 0.216 12.148 376 HD13 LEU 44 3HD1 LEU 44 0.903 0.547 13.520 377 HD21 LEU 44 3HD2 LEU 44 0.640 -2.821 11.907 378 HD22 LEU 44 1HD2 LEU 44 2.047 -2.621 10.864 379 HD23 LEU 44 2HD2 LEU 44 0.549 -1.762 10.498 380 H ASP 45 H ASP 45 1.092 3.052 9.034 381 HA ASP 45 HA ASP 45 3.302 4.795 9.449 382 HB2 ASP 45 2HB ASP 45 4.407 3.219 7.875 383 HB3 ASP 45 1HB ASP 45 3.138 3.474 6.700 384 HA PRO 46 HA PRO 46 -0.330 7.313 8.606 385 HB2 PRO 46 2HB PRO 46 0.799 9.809 8.832 386 HB3 PRO 46 1HB PRO 46 0.473 8.763 10.224 387 HG2 PRO 46 2HG PRO 46 3.063 9.132 8.701 388 HG3 PRO 46 1HG PRO 46 2.797 9.152 10.456 389 HD2 PRO 46 2HD PRO 46 3.741 6.962 9.206 390 HD3 PRO 46 1HD PRO 46 2.607 6.812 10.576 391 H ARG 47 H ARG 47 2.623 7.772 6.663 392 HA ARG 47 HA ARG 47 1.636 9.600 4.711 393 HE ARG 47 HE ARG 47 5.770 8.727 2.950 394 HB2 ARG 47 2HB ARG 47 3.804 7.474 4.476 395 HB3 ARG 47 1HB ARG 47 3.537 8.746 3.290 396 HG2 ARG 47 2HG ARG 47 4.380 10.421 4.694 397 HG3 ARG 47 1HG ARG 47 4.133 9.473 6.162 398 HD2 ARG 47 2HD ARG 47 6.569 9.766 5.251 399 HD3 ARG 47 1HD ARG 47 6.054 8.170 5.814 400 HH11 ARG 47 1HH1 ARG 47 7.744 7.232 5.429 401 HH12 ARG 47 2HH1 ARG 47 8.476 6.115 4.329 402 HH21 ARG 47 1HH2 ARG 47 6.708 7.198 1.535 403 HH22 ARG 47 2HH2 ARG 47 7.905 6.092 2.139 404 H LEU 48 H LEU 48 1.573 6.110 4.987 405 HA LEU 48 HA LEU 48 0.635 5.432 2.398 406 HG LEU 48 HG LEU 48 2.450 4.161 5.050 407 HB2 LEU 48 2HB LEU 48 0.067 3.879 4.949 408 HB3 LEU 48 1HB LEU 48 0.138 3.248 3.309 409 HD11 LEU 48 1HD1 LEU 48 3.242 1.855 4.833 410 HD12 LEU 48 2HD1 LEU 48 1.815 1.439 3.880 411 HD13 LEU 48 3HD1 LEU 48 1.641 1.931 5.567 412 HD21 LEU 48 3HD2 LEU 48 2.914 4.961 2.811 413 HD22 LEU 48 1HD2 LEU 48 2.594 3.362 2.129 414 HD23 LEU 48 2HD2 LEU 48 3.971 3.613 3.207 415 H LEU 49 H LEU 49 -0.985 6.215 5.440 416 HA LEU 49 HA LEU 49 -3.662 5.690 4.578 417 HG LEU 49 HG LEU 49 -1.990 4.969 7.183 418 HB2 LEU 49 2HB LEU 49 -2.632 7.348 6.913 419 HB3 LEU 49 1HB LEU 49 -4.315 6.879 6.679 420 HD11 LEU 49 1HD1 LEU 49 -2.568 6.240 9.179 421 HD12 LEU 49 2HD1 LEU 49 -3.049 4.557 9.358 422 HD13 LEU 49 3HD1 LEU 49 -4.268 5.787 9.013 423 HD21 LEU 49 3HD2 LEU 49 -3.647 3.918 5.732 424 HD22 LEU 49 1HD2 LEU 49 -4.947 4.352 6.847 425 HD23 LEU 49 2HD2 LEU 49 -3.702 3.201 7.338 426 H ILE 50 H ILE 50 -1.578 8.556 4.577 427 HA ILE 50 HA ILE 50 -3.540 10.475 3.820 428 HB ILE 50 HB ILE 50 -0.527 10.434 3.315 429 HG12 ILE 50 2HG1 ILE 50 -2.142 11.903 5.456 430 HG13 ILE 50 1HG1 ILE 50 -1.207 10.439 5.730 431 HG21 ILE 50 1HG2 ILE 50 -0.665 12.864 2.889 432 HG22 ILE 50 2HG2 ILE 50 -2.422 12.791 2.995 433 HG23 ILE 50 3HG2 ILE 50 -1.585 11.949 1.691 434 HD11 ILE 50 3HD1 ILE 50 0.851 11.677 5.169 435 HD12 ILE 50 1HD1 ILE 50 -0.016 12.365 6.541 436 HD13 ILE 50 2HD1 ILE 50 -0.111 13.145 4.965 437 H ALA 51 H ALA 51 -1.296 8.432 1.942 438 HA ALA 51 HA ALA 51 -2.093 9.073 -0.666 439 HB1 ALA 51 1HB ALA 51 -1.135 6.378 0.369 440 HB2 ALA 51 2HB ALA 51 -0.101 7.700 -0.170 441 HB3 ALA 51 3HB ALA 51 -1.155 6.887 -1.328 442 H PHE 52 H PHE 52 -3.372 6.630 1.570 443 HA PHE 52 HA PHE 52 -5.359 5.413 0.025 444 HD1 PHE 52 1HD PHE 52 -6.965 3.204 1.232 445 HD2 PHE 52 2HD PHE 52 -6.943 6.330 4.154 446 HE1 PHE 52 1HE PHE 52 -9.238 2.588 1.927 447 HE2 PHE 52 2HE PHE 52 -9.221 5.697 4.840 448 HZ PHE 52 HZ PHE 52 -10.368 3.824 3.723 449 HB2 PHE 52 2HB PHE 52 -4.801 4.320 2.050 450 HB3 PHE 52 1HB PHE 52 -4.924 5.789 3.001 451 H GLN 53 H GLN 53 -5.587 8.254 2.169 452 HA GLN 53 HA GLN 53 -8.343 8.772 2.004 453 HB2 GLN 53 2HB GLN 53 -5.986 10.640 2.475 454 HB3 GLN 53 1HB GLN 53 -7.659 11.183 2.594 455 HG2 GLN 53 2HG GLN 53 -8.077 9.697 4.448 456 HG3 GLN 53 1HG GLN 53 -6.504 8.935 4.259 457 HE21 GLN 53 1HE2 GLN 53 -8.165 11.847 5.293 458 HE22 GLN 53 2HE2 GLN 53 -6.857 12.493 6.212 459 H ASN 54 H ASN 54 -5.672 9.768 -0.068 460 HA ASN 54 HA ASN 54 -7.262 11.400 -1.815 461 HB2 ASN 54 2HB ASN 54 -4.399 10.396 -1.902 462 HB3 ASN 54 1HB ASN 54 -5.114 11.151 -3.322 463 HD21 ASN 54 1HD2 ASN 54 -4.284 11.694 0.065 464 HD22 ASN 54 2HD2 ASN 54 -4.232 13.413 -0.031 465 H ARG 55 H ARG 55 -6.164 7.986 -1.862 466 HA ARG 55 HA ARG 55 -6.874 7.340 -4.521 467 HE ARG 55 HE ARG 55 -2.616 5.771 -3.737 468 HB2 ARG 55 2HB ARG 55 -6.907 5.510 -2.067 469 HB3 ARG 55 1HB ARG 55 -7.049 4.944 -3.730 470 HG2 ARG 55 2HG ARG 55 -4.638 6.345 -2.535 471 HG3 ARG 55 1HG ARG 55 -4.782 4.615 -2.833 472 HD2 ARG 55 2HD ARG 55 -4.892 5.004 -5.236 473 HD3 ARG 55 1HD ARG 55 -4.891 6.755 -4.993 474 HH11 ARG 55 1HH1 ARG 55 -3.762 5.940 -7.054 475 HH12 ARG 55 2HH1 ARG 55 -2.162 5.942 -7.720 476 HH21 ARG 55 1HH2 ARG 55 -0.547 5.729 -4.635 477 HH22 ARG 55 2HH2 ARG 55 -0.343 5.821 -6.351 478 H GLU 56 H GLU 56 -8.770 7.323 -1.533 479 HA GLU 56 HA GLU 56 -11.192 6.305 -2.770 480 HB2 GLU 56 2HB GLU 56 -10.732 7.367 0.045 481 HB3 GLU 56 1HB GLU 56 -12.138 6.447 -0.498 482 HG2 GLU 56 2HG GLU 56 -9.274 5.476 -0.229 483 HG3 GLU 56 1HG GLU 56 -10.663 4.976 0.736 484 H ARG 57 H ARG 57 -9.790 9.225 -2.977 485 HA ARG 57 HA ARG 57 -12.377 10.622 -3.318 486 HE ARG 57 HE ARG 57 -12.731 15.089 -4.037 487 HB2 ARG 57 2HB ARG 57 -10.807 11.716 -1.703 488 HB3 ARG 57 1HB ARG 57 -9.580 11.826 -2.958 489 HG2 ARG 57 2HG ARG 57 -10.653 13.980 -2.697 490 HG3 ARG 57 1HG ARG 57 -11.106 13.316 -4.269 491 HD2 ARG 57 2HD ARG 57 -13.243 12.480 -3.162 492 HD3 ARG 57 1HD ARG 57 -12.794 13.445 -1.750 493 HH11 ARG 57 1HH1 ARG 57 -15.129 13.442 -2.053 494 HH12 ARG 57 2HH1 ARG 57 -16.390 14.552 -2.471 495 HH21 ARG 57 1HH2 ARG 57 -14.397 16.499 -4.585 496 HH22 ARG 57 2HH2 ARG 57 -15.973 16.288 -3.895 497 H GLN 58 H GLN 58 -9.489 9.400 -4.852 498 HA GLN 58 HA GLN 58 -9.615 11.004 -7.232 499 HB2 GLN 58 2HB GLN 58 -7.974 8.547 -6.522 500 HB3 GLN 58 1HB GLN 58 -7.905 9.275 -8.121 501 HG2 GLN 58 2HG GLN 58 -7.197 10.703 -5.541 502 HG3 GLN 58 1HG GLN 58 -6.034 9.942 -6.618 503 HE21 GLN 58 1HE2 GLN 58 -4.914 11.850 -6.975 504 HE22 GLN 58 2HE2 GLN 58 -5.540 13.167 -7.898 505 H GLU 59 H GLU 59 -10.139 10.406 -9.258 506 HA GLU 59 HA GLU 59 -12.418 8.625 -9.570 507 HB2 GLU 59 2HB GLU 59 -12.458 10.929 -10.455 508 HB3 GLU 59 1HB GLU 59 -11.015 10.611 -11.414 509 HG2 GLU 59 2HG GLU 59 -12.295 8.967 -12.761 510 HG3 GLU 59 1HG GLU 59 -13.738 9.329 -11.808 511 H GLN 60 H GLN 60 -12.460 6.865 -10.982 512 HA GLN 60 HA GLN 60 -9.935 5.653 -11.797 513 HB2 GLN 60 2HB GLN 60 -11.384 3.677 -12.416 514 HB3 GLN 60 1HB GLN 60 -11.490 4.151 -10.727 515 HG2 GLN 60 2HG GLN 60 -13.653 5.272 -11.192 516 HG3 GLN 60 1HG GLN 60 -13.548 4.769 -12.877 517 HE21 GLN 60 1HE2 GLN 60 -15.469 3.583 -12.776 518 HE22 GLN 60 2HE2 GLN 60 -15.620 2.108 -11.888 Start of MODEL 17 1 H1 GLY 1 1HT GLY 1 26.354 -3.334 2.919 2 H2 GLY 1 2HT GLY 1 25.009 -3.049 3.894 3 H3 GLY 1 3HT GLY 1 25.155 -2.260 2.407 4 HA2 GLY 1 1HA GLY 1 24.991 -4.368 1.250 5 HA3 GLY 1 2HA GLY 1 24.831 -5.171 2.808 6 H SER 2 H SER 2 23.337 -2.784 0.670 7 HA SER 2 HA SER 2 20.687 -3.113 1.938 8 HG SER 2 HG SER 2 21.512 -0.961 -1.111 9 HB2 SER 2 2HB SER 2 20.110 -1.086 0.509 10 HB3 SER 2 1HB SER 2 21.398 -0.793 1.682 11 H GLU 3 H GLU 3 21.500 -5.343 0.686 12 HA GLU 3 HA GLU 3 21.032 -5.574 -2.098 13 HB2 GLU 3 2HB GLU 3 22.437 -7.148 -0.790 14 HB3 GLU 3 1HB GLU 3 21.014 -7.715 0.076 15 HG2 GLU 3 2HG GLU 3 20.096 -8.604 -2.052 16 HG3 GLU 3 1HG GLU 3 21.538 -8.044 -2.899 17 H HIS 4 H HIS 4 18.917 -5.747 0.686 18 HA HIS 4 HA HIS 4 16.581 -6.381 -1.043 19 HD1 HIS 4 1HD HIS 4 15.397 -9.607 -0.186 20 HD2 HIS 4 2HD HIS 4 19.254 -8.655 1.035 21 HE1 HIS 4 1HE HIS 4 16.774 -11.660 -0.633 22 HE2 HIS 4 2HE HIS 4 19.128 -11.011 -0.024 23 HB2 HIS 4 2HB HIS 4 16.944 -7.066 1.915 24 HB3 HIS 4 1HB HIS 4 15.499 -7.383 0.960 25 H VAL 5 H VAL 5 16.693 -3.984 -1.397 26 HA VAL 5 HA VAL 5 15.853 -2.252 0.773 27 HB VAL 5 HB VAL 5 15.539 -0.489 -1.053 28 HG11 VAL 5 1HG1 VAL 5 17.967 -0.125 -1.393 29 HG12 VAL 5 2HG1 VAL 5 18.289 -1.767 -0.830 30 HG13 VAL 5 3HG1 VAL 5 17.592 -0.580 0.272 31 HG21 VAL 5 3HG2 VAL 5 16.790 -2.603 -2.863 32 HG22 VAL 5 1HG2 VAL 5 16.557 -0.903 -3.287 33 HG23 VAL 5 2HG2 VAL 5 15.161 -1.944 -3.007 34 H PHE 6 H PHE 6 13.884 -2.442 1.564 35 HA PHE 6 HA PHE 6 11.539 -2.383 -0.222 36 HD1 PHE 6 2HD PHE 6 9.781 -4.750 -0.801 37 HD2 PHE 6 1HD PHE 6 13.483 -5.782 1.079 38 HE1 PHE 6 2HE PHE 6 10.074 -6.606 -2.386 39 HE2 PHE 6 1HE PHE 6 13.770 -7.634 -0.517 40 HZ PHE 6 HZ PHE 6 12.067 -8.048 -2.248 41 HB2 PHE 6 2HB PHE 6 11.924 -4.243 2.173 42 HB3 PHE 6 1HB PHE 6 10.355 -3.903 1.462 43 H ALA 7 H ALA 7 10.806 -0.401 0.195 44 HA ALA 7 HA ALA 7 9.959 0.297 2.927 45 HB1 ALA 7 1HB ALA 7 10.745 2.634 2.643 46 HB2 ALA 7 2HB ALA 7 11.481 2.219 1.091 47 HB3 ALA 7 3HB ALA 7 12.100 1.507 2.584 48 H VAL 8 H VAL 8 7.890 1.050 2.905 49 HA VAL 8 HA VAL 8 6.376 0.856 0.493 50 HB VAL 8 HB VAL 8 5.458 2.014 3.170 51 HG11 VAL 8 1HG1 VAL 8 3.157 1.470 2.366 52 HG12 VAL 8 2HG1 VAL 8 3.824 0.985 0.806 53 HG13 VAL 8 3HG1 VAL 8 3.950 2.663 1.333 54 HG21 VAL 8 3HG2 VAL 8 4.518 -0.221 3.645 55 HG22 VAL 8 1HG2 VAL 8 6.272 -0.302 3.452 56 HG23 VAL 8 2HG2 VAL 8 5.212 -0.847 2.148 57 H GLU 9 H GLU 9 6.008 2.351 -0.956 58 HA GLU 9 HA GLU 9 6.962 5.060 -0.703 59 HB2 GLU 9 2HB GLU 9 7.308 3.696 -2.777 60 HB3 GLU 9 1HB GLU 9 5.571 3.673 -3.033 61 HG2 GLU 9 2HG GLU 9 6.604 5.308 -4.486 62 HG3 GLU 9 1HG GLU 9 5.569 6.124 -3.315 63 H SER 10 H SER 10 3.846 3.553 -1.631 64 HA SER 10 HA SER 10 2.245 5.293 -0.033 65 HG SER 10 HG SER 10 0.424 6.929 -2.616 66 HB2 SER 10 2HB SER 10 2.898 6.836 -1.939 67 HB3 SER 10 1HB SER 10 2.103 5.726 -3.059 68 H ILE 11 H ILE 11 -0.129 5.016 -0.659 69 HA ILE 11 HA ILE 11 -0.760 2.201 -1.189 70 HB ILE 11 HB ILE 11 -2.419 4.539 -0.141 71 HG12 ILE 11 2HG1 ILE 11 -1.515 1.945 1.199 72 HG13 ILE 11 1HG1 ILE 11 -0.739 3.514 1.424 73 HG21 ILE 11 1HG2 ILE 11 -3.397 1.688 -0.605 74 HG22 ILE 11 2HG2 ILE 11 -3.924 3.120 -1.492 75 HG23 ILE 11 3HG2 ILE 11 -4.300 2.960 0.223 76 HD11 ILE 11 3HD1 ILE 11 -2.147 2.949 3.291 77 HD12 ILE 11 1HD1 ILE 11 -3.545 2.774 2.236 78 HD13 ILE 11 2HD1 ILE 11 -2.793 4.358 2.455 79 H GLU 12 H GLU 12 -1.201 1.621 -3.179 80 HA GLU 12 HA GLU 12 -1.660 3.509 -5.335 81 HB2 GLU 12 2HB GLU 12 -1.354 0.472 -5.536 82 HB3 GLU 12 1HB GLU 12 -1.185 1.651 -6.839 83 HG2 GLU 12 2HG GLU 12 0.688 1.192 -4.498 84 HG3 GLU 12 1HG GLU 12 0.998 0.844 -6.196 85 H LYS 13 H LYS 13 -3.204 0.623 -3.933 86 HA LYS 13 HA LYS 13 -5.811 1.421 -5.086 87 HB2 LYS 13 2HB LYS 13 -4.755 -1.445 -4.897 88 HB3 LYS 13 1HB LYS 13 -6.355 -0.960 -5.467 89 HG2 LYS 13 2HG LYS 13 -5.211 0.302 -7.335 90 HG3 LYS 13 1HG LYS 13 -3.687 -0.406 -6.794 91 HD2 LYS 13 2HD LYS 13 -4.591 -2.676 -7.236 92 HD3 LYS 13 1HD LYS 13 -6.121 -1.961 -7.761 93 HE2 LYS 13 2HE LYS 13 -3.413 -1.602 -9.099 94 HE3 LYS 13 1HE LYS 13 -4.779 -2.538 -9.712 95 HZ1 LYS 13 3HZ LYS 13 -6.058 -0.467 -9.850 96 HZ2 LYS 13 1HZ LYS 13 -4.657 -0.392 -10.792 97 HZ3 LYS 13 2HZ LYS 13 -4.717 0.410 -9.306 98 H LYS 14 H LYS 14 -7.596 0.925 -3.886 99 HA LYS 14 HA LYS 14 -7.294 -0.297 -1.207 100 HB2 LYS 14 2HB LYS 14 -7.752 2.233 -1.199 101 HB3 LYS 14 1HB LYS 14 -9.304 1.896 -1.945 102 HG2 LYS 14 2HG LYS 14 -8.455 0.825 0.773 103 HG3 LYS 14 1HG LYS 14 -9.340 2.330 0.549 104 HD2 LYS 14 2HD LYS 14 -11.236 1.058 -0.431 105 HD3 LYS 14 1HD LYS 14 -10.340 -0.447 -0.220 106 HE2 LYS 14 2HE LYS 14 -11.926 -0.270 1.586 107 HE3 LYS 14 1HE LYS 14 -10.317 -0.006 2.261 108 HZ1 LYS 14 3HZ LYS 14 -10.778 2.414 2.059 109 HZ2 LYS 14 1HZ LYS 14 -11.778 1.606 3.157 110 HZ3 LYS 14 2HZ LYS 14 -12.363 2.039 1.634 111 H ARG 15 H ARG 15 -8.521 -2.073 -0.975 112 HA ARG 15 HA ARG 15 -11.134 -2.363 -2.148 113 HE ARG 15 HE ARG 15 -9.928 -6.548 -3.134 114 HB2 ARG 15 2HB ARG 15 -10.547 -4.552 -3.356 115 HB3 ARG 15 1HB ARG 15 -9.984 -3.076 -4.123 116 HG2 ARG 15 2HG ARG 15 -8.148 -4.508 -4.345 117 HG3 ARG 15 1HG ARG 15 -7.716 -3.529 -2.947 118 HD2 ARG 15 2HD ARG 15 -7.121 -5.815 -2.506 119 HD3 ARG 15 1HD ARG 15 -8.481 -5.393 -1.464 120 HH11 ARG 15 1HH1 ARG 15 -6.571 -7.540 -2.813 121 HH12 ARG 15 2HH1 ARG 15 -6.841 -9.057 -3.605 122 HH21 ARG 15 1HH2 ARG 15 -10.238 -8.534 -4.164 123 HH22 ARG 15 2HH2 ARG 15 -8.900 -9.615 -4.370 124 H ILE 16 H ILE 16 -12.182 -4.390 -1.471 125 HA ILE 16 HA ILE 16 -11.026 -5.652 0.954 126 HB ILE 16 HB ILE 16 -13.922 -4.735 0.562 127 HG12 ILE 16 2HG1 ILE 16 -11.831 -3.997 2.628 128 HG13 ILE 16 1HG1 ILE 16 -12.319 -2.962 1.291 129 HG21 ILE 16 1HG2 ILE 16 -12.775 -6.394 2.859 130 HG22 ILE 16 2HG2 ILE 16 -13.922 -6.959 1.642 131 HG23 ILE 16 3HG2 ILE 16 -14.408 -5.721 2.796 132 HD11 ILE 16 3HD1 ILE 16 -14.577 -2.813 2.302 133 HD12 ILE 16 1HD1 ILE 16 -13.295 -2.196 3.345 134 HD13 ILE 16 2HD1 ILE 16 -13.999 -3.781 3.664 135 H ARG 17 H ARG 17 -11.123 -7.814 0.970 136 HA ARG 17 HA ARG 17 -13.084 -9.269 -0.579 137 HE ARG 17 HE ARG 17 -12.778 -9.959 -4.098 138 HB2 ARG 17 2HB ARG 17 -11.222 -8.942 -2.194 139 HB3 ARG 17 1HB ARG 17 -10.095 -9.664 -1.057 140 HG2 ARG 17 2HG ARG 17 -10.759 -11.197 -2.908 141 HG3 ARG 17 1HG ARG 17 -11.125 -11.844 -1.308 142 HD2 ARG 17 2HD ARG 17 -12.943 -12.223 -2.997 143 HD3 ARG 17 1HD ARG 17 -13.477 -11.335 -1.567 144 HH11 ARG 17 1HH1 ARG 17 -15.082 -10.498 -1.500 145 HH12 ARG 17 2HH1 ARG 17 -16.159 -9.255 -2.049 146 HH21 ARG 17 1HH2 ARG 17 -14.191 -8.351 -4.799 147 HH22 ARG 17 2HH2 ARG 17 -15.659 -8.050 -3.924 148 H LYS 18 H LYS 18 -13.755 -11.026 0.516 149 HA LYS 18 HA LYS 18 -14.079 -12.537 2.158 150 HB2 LYS 18 2HB LYS 18 -11.030 -12.587 2.358 151 HB3 LYS 18 1HB LYS 18 -12.113 -13.761 3.106 152 HG2 LYS 18 2HG LYS 18 -11.795 -13.285 0.117 153 HG3 LYS 18 1HG LYS 18 -11.098 -14.628 1.034 154 HD2 LYS 18 2HD LYS 18 -13.365 -15.446 1.573 155 HD3 LYS 18 1HD LYS 18 -14.079 -14.080 0.704 156 HE2 LYS 18 2HE LYS 18 -13.113 -14.899 -1.404 157 HE3 LYS 18 1HE LYS 18 -12.333 -16.232 -0.543 158 HZ1 LYS 18 3HZ LYS 18 -15.261 -15.795 -0.624 159 HZ2 LYS 18 1HZ LYS 18 -14.438 -17.134 0.007 160 HZ3 LYS 18 2HZ LYS 18 -14.419 -16.838 -1.651 161 H GLY 19 H GLY 19 -14.201 -9.759 2.745 162 HA2 GLY 19 2HA GLY 19 -14.464 -8.298 4.495 163 HA3 GLY 19 1HA GLY 19 -14.219 -9.651 5.585 164 H ARG 20 H ARG 20 -11.732 -9.035 3.267 165 HA ARG 20 HA ARG 20 -9.993 -7.970 5.405 166 HE ARG 20 HE ARG 20 -9.309 -12.137 7.165 167 HB2 ARG 20 2HB ARG 20 -9.243 -9.772 3.062 168 HB3 ARG 20 1HB ARG 20 -8.089 -9.005 4.155 169 HG2 ARG 20 2HG ARG 20 -10.185 -11.083 4.927 170 HG3 ARG 20 1HG ARG 20 -8.434 -11.328 4.820 171 HD2 ARG 20 2HD ARG 20 -8.117 -9.613 6.600 172 HD3 ARG 20 1HD ARG 20 -9.868 -9.466 6.747 173 HH11 ARG 20 1HH1 ARG 20 -8.338 -9.122 8.682 174 HH12 ARG 20 2HH1 ARG 20 -8.193 -9.832 10.253 175 HH21 ARG 20 1HH2 ARG 20 -9.104 -13.028 9.258 176 HH22 ARG 20 2HH2 ARG 20 -8.632 -12.026 10.588 177 H VAL 21 H VAL 21 -9.820 -5.941 5.152 178 HA VAL 21 HA VAL 21 -9.716 -4.597 2.583 179 HB VAL 21 HB VAL 21 -10.949 -3.407 4.252 180 HG11 VAL 21 1HG1 VAL 21 -10.045 -2.676 6.439 181 HG12 VAL 21 2HG1 VAL 21 -8.566 -3.584 6.119 182 HG13 VAL 21 3HG1 VAL 21 -10.099 -4.436 6.292 183 HG21 VAL 21 3HG2 VAL 21 -9.586 -1.978 2.780 184 HG22 VAL 21 1HG2 VAL 21 -8.255 -2.022 3.940 185 HG23 VAL 21 2HG2 VAL 21 -9.773 -1.229 4.368 186 H GLU 22 H GLU 22 -7.894 -4.449 1.487 187 HA GLU 22 HA GLU 22 -5.260 -4.427 2.805 188 HB2 GLU 22 2HB GLU 22 -4.504 -6.129 1.017 189 HB3 GLU 22 1HB GLU 22 -5.500 -6.756 2.330 190 HG2 GLU 22 2HG GLU 22 -7.486 -6.631 0.853 191 HG3 GLU 22 1HG GLU 22 -6.455 -6.062 -0.459 192 H TYR 23 H TYR 23 -3.744 -3.302 1.726 193 HA TYR 23 HA TYR 23 -4.645 -1.602 -0.514 194 HD1 TYR 23 2HD TYR 23 -6.166 -0.696 0.697 195 HD2 TYR 23 1HD TYR 23 -3.169 0.361 3.546 196 HE1 TYR 23 2HE TYR 23 -7.898 0.036 2.268 197 HE2 TYR 23 1HE TYR 23 -4.899 1.100 5.113 198 HH TYR 23 HH TYR 23 -8.104 0.332 4.813 199 HB2 TYR 23 2HB TYR 23 -2.564 -0.948 1.627 200 HB3 TYR 23 1HB TYR 23 -3.195 0.150 0.400 201 H LEU 24 H LEU 24 -3.271 -1.319 -2.233 202 HA LEU 24 HA LEU 24 -1.115 -3.268 -2.556 203 HG LEU 24 HG LEU 24 0.009 -2.369 -5.209 204 HB2 LEU 24 2HB LEU 24 -2.882 -2.775 -4.346 205 HB3 LEU 24 1HB LEU 24 -2.117 -1.208 -4.569 206 HD11 LEU 24 1HD1 LEU 24 -0.026 -4.787 -5.696 207 HD12 LEU 24 2HD1 LEU 24 -1.642 -4.908 -5.003 208 HD13 LEU 24 3HD1 LEU 24 -0.274 -4.458 -3.983 209 HD21 LEU 24 3HD2 LEU 24 -1.543 -1.624 -6.953 210 HD22 LEU 24 1HD2 LEU 24 -2.404 -3.164 -6.867 211 HD23 LEU 24 2HD2 LEU 24 -0.730 -3.113 -7.428 212 H VAL 25 H VAL 25 0.823 -2.644 -1.724 213 HA VAL 25 HA VAL 25 1.575 0.194 -1.646 214 HB VAL 25 HB VAL 25 3.466 -0.529 -0.227 215 HG11 VAL 25 1HG1 VAL 25 0.788 -1.692 0.686 216 HG12 VAL 25 2HG1 VAL 25 1.306 -0.013 0.860 217 HG13 VAL 25 3HG1 VAL 25 2.147 -1.286 1.743 218 HG21 VAL 25 3HG2 VAL 25 3.932 -2.748 -1.194 219 HG22 VAL 25 1HG2 VAL 25 2.404 -3.370 -0.568 220 HG23 VAL 25 2HG2 VAL 25 3.685 -2.879 0.546 221 H LYS 26 H LYS 26 2.986 1.096 -3.022 222 HA LYS 26 HA LYS 26 4.573 -0.480 -4.899 223 HB2 LYS 26 2HB LYS 26 3.486 1.791 -5.429 224 HB3 LYS 26 1HB LYS 26 4.687 2.535 -4.385 225 HG2 LYS 26 2HG LYS 26 5.448 0.867 -6.809 226 HG3 LYS 26 1HG LYS 26 5.075 2.584 -6.942 227 HD2 LYS 26 2HD LYS 26 6.957 3.119 -5.423 228 HD3 LYS 26 1HD LYS 26 7.313 1.400 -5.241 229 HE2 LYS 26 2HE LYS 26 8.861 2.433 -6.835 230 HE3 LYS 26 1HE LYS 26 7.839 1.252 -7.654 231 HZ1 LYS 26 3HZ LYS 26 8.020 3.213 -8.980 232 HZ2 LYS 26 1HZ LYS 26 7.535 4.202 -7.702 233 HZ3 LYS 26 2HZ LYS 26 6.440 3.117 -8.389 234 H TRP 27 H TRP 27 6.534 -1.298 -4.276 235 HA TRP 27 HA TRP 27 7.894 -0.327 -1.893 236 HD1 TRP 27 HD TRP 27 6.427 -4.139 -3.406 237 HE1 TRP 27 1HE TRP 27 5.270 -5.092 -1.318 238 HE3 TRP 27 3HE TRP 27 8.956 -1.586 0.210 239 HZ2 TRP 27 2HZ TRP 27 5.380 -4.809 1.473 240 HZ3 TRP 27 3HZ TRP 27 8.377 -1.967 2.561 241 HH2 TRP 27 HH TRP 27 6.626 -3.546 3.180 242 HB2 TRP 27 2HB TRP 27 8.540 -2.620 -3.801 243 HB3 TRP 27 1HB TRP 27 9.493 -2.226 -2.370 244 H ARG 28 H ARG 28 9.141 1.438 -2.055 245 HA ARG 28 HA ARG 28 10.476 2.390 -4.362 246 HE ARG 28 HE ARG 28 10.321 5.945 -2.096 247 HB2 ARG 28 2HB ARG 28 9.996 3.841 -2.409 248 HB3 ARG 28 1HB ARG 28 11.092 2.886 -1.412 249 HG2 ARG 28 2HG ARG 28 12.999 3.582 -2.855 250 HG3 ARG 28 1HG ARG 28 11.900 4.569 -3.821 251 HD2 ARG 28 2HD ARG 28 12.470 4.969 -0.859 252 HD3 ARG 28 1HD ARG 28 13.224 5.879 -2.175 253 HH11 ARG 28 1HH1 ARG 28 13.280 7.634 -1.213 254 HH12 ARG 28 2HH1 ARG 28 12.460 9.137 -0.954 255 HH21 ARG 28 1HH2 ARG 28 9.313 7.919 -1.759 256 HH22 ARG 28 2HH2 ARG 28 10.240 9.285 -1.235 257 H GLY 29 H GLY 29 12.400 1.818 -5.230 258 HA2 GLY 29 2HA GLY 29 14.595 0.835 -5.208 259 HA3 GLY 29 1HA GLY 29 14.084 -0.243 -3.919 260 H TRP 30 H TRP 30 11.465 -0.555 -5.410 261 HA TRP 30 HA TRP 30 12.302 -2.352 -7.612 262 HD1 TRP 30 HD TRP 30 11.559 -2.922 -3.492 263 HE1 TRP 30 1HE TRP 30 13.137 -4.789 -2.712 264 HE3 TRP 30 3HE TRP 30 11.974 -5.555 -7.865 265 HZ2 TRP 30 2HZ TRP 30 14.383 -7.079 -3.780 266 HZ3 TRP 30 3HZ TRP 30 13.379 -7.570 -7.902 267 HH2 TRP 30 HH TRP 30 14.566 -8.320 -5.898 268 HB2 TRP 30 2HB TRP 30 9.964 -2.690 -5.673 269 HB3 TRP 30 1HB TRP 30 10.317 -3.749 -7.037 270 H SER 31 H SER 31 10.488 -2.675 -9.216 271 HA SER 31 HA SER 31 9.321 -0.144 -10.031 272 HG SER 31 HG SER 31 9.666 -3.674 -11.975 273 HB2 SER 31 2HB SER 31 8.601 -1.426 -12.049 274 HB3 SER 31 1HB SER 31 10.315 -1.665 -11.717 275 HA PRO 32 HA PRO 32 5.256 -0.736 -8.235 276 HB2 PRO 32 2HB PRO 32 3.521 0.307 -10.076 277 HB3 PRO 32 1HB PRO 32 4.665 1.313 -9.169 278 HG2 PRO 32 2HG PRO 32 4.940 0.169 -11.954 279 HG3 PRO 32 1HG PRO 32 5.216 1.838 -11.408 280 HD2 PRO 32 2HD PRO 32 7.258 0.105 -11.754 281 HD3 PRO 32 1HD PRO 32 7.286 1.308 -10.440 282 H LYS 33 H LYS 33 6.157 -2.804 -10.711 283 HA LYS 33 HA LYS 33 3.628 -4.304 -10.654 284 HB2 LYS 33 2HB LYS 33 4.669 -5.865 -12.236 285 HB3 LYS 33 1HB LYS 33 4.768 -4.218 -12.814 286 HG2 LYS 33 2HG LYS 33 6.869 -4.958 -13.383 287 HG3 LYS 33 1HG LYS 33 7.200 -4.302 -11.784 288 HD2 LYS 33 2HD LYS 33 8.316 -6.466 -12.053 289 HD3 LYS 33 1HD LYS 33 7.066 -6.584 -10.816 290 HE2 LYS 33 2HE LYS 33 7.049 -8.570 -12.251 291 HE3 LYS 33 1HE LYS 33 5.551 -7.660 -12.451 292 HZ1 LYS 33 3HZ LYS 33 7.872 -7.439 -14.290 293 HZ2 LYS 33 1HZ LYS 33 6.333 -6.794 -14.515 294 HZ3 LYS 33 2HZ LYS 33 6.557 -8.470 -14.555 295 H TYR 34 H TYR 34 6.742 -4.225 -9.090 296 HA TYR 34 HA TYR 34 6.509 -6.822 -7.794 297 HD1 TYR 34 2HD TYR 34 8.580 -8.195 -7.880 298 HD2 TYR 34 1HD TYR 34 9.817 -4.344 -9.257 299 HE1 TYR 34 2HE TYR 34 10.026 -9.261 -9.548 300 HE2 TYR 34 1HE TYR 34 11.267 -5.417 -10.933 301 HH TYR 34 HH TYR 34 12.410 -7.563 -11.274 302 HB2 TYR 34 2HB TYR 34 8.398 -4.473 -7.370 303 HB3 TYR 34 1HB TYR 34 8.484 -5.948 -6.416 304 H ASN 35 H ASN 35 4.607 -4.341 -7.476 305 HA ASN 35 HA ASN 35 4.273 -3.633 -4.838 306 HB2 ASN 35 2HB ASN 35 1.878 -3.260 -5.492 307 HB3 ASN 35 1HB ASN 35 3.027 -2.588 -6.640 308 HD21 ASN 35 1HD2 ASN 35 1.430 -2.568 -8.276 309 HD22 ASN 35 2HD2 ASN 35 0.903 -4.005 -9.075 310 H THR 36 H THR 36 3.069 -4.481 -3.085 311 HA THR 36 HA THR 36 2.043 -7.263 -3.295 312 HB THR 36 HB THR 36 2.841 -7.777 -1.029 313 HG1 THR 36 1HG THR 36 2.995 -5.931 0.091 314 HG21 THR 36 3HG2 THR 36 5.131 -6.718 -2.725 315 HG22 THR 36 1HG2 THR 36 4.393 -8.318 -2.871 316 HG23 THR 36 2HG2 THR 36 5.273 -7.881 -1.405 317 H TRP 37 H TRP 37 0.180 -7.698 -2.060 318 HA TRP 37 HA TRP 37 -1.382 -5.434 -1.143 319 HD1 TRP 37 HD TRP 37 -1.875 -8.877 -3.769 320 HE1 TRP 37 1HE TRP 37 -3.033 -7.820 -5.807 321 HE3 TRP 37 3HE TRP 37 -4.062 -4.855 -1.481 322 HZ2 TRP 37 2HZ TRP 37 -4.646 -5.585 -6.379 323 HZ3 TRP 37 3HZ TRP 37 -5.380 -3.291 -2.846 324 HH2 TRP 37 HH TRP 37 -5.669 -3.652 -5.252 325 HB2 TRP 37 2HB TRP 37 -1.964 -8.428 -1.153 326 HB3 TRP 37 1HB TRP 37 -3.110 -7.203 -0.611 327 H GLU 38 H GLU 38 -0.646 -4.548 0.698 328 HA GLU 38 HA GLU 38 -0.151 -6.221 3.075 329 HB2 GLU 38 2HB GLU 38 0.426 -3.262 2.640 330 HB3 GLU 38 1HB GLU 38 0.821 -4.180 4.086 331 HG2 GLU 38 2HG GLU 38 1.999 -4.560 1.315 332 HG3 GLU 38 1HG GLU 38 2.798 -3.851 2.716 333 HA PRO 39 HA PRO 39 -4.408 -5.281 4.220 334 HB2 PRO 39 2HB PRO 39 -4.209 -6.038 6.903 335 HB3 PRO 39 1HB PRO 39 -4.461 -7.155 5.555 336 HG2 PRO 39 2HG PRO 39 -1.867 -6.396 6.929 337 HG3 PRO 39 1HG PRO 39 -2.463 -8.011 6.471 338 HD2 PRO 39 2HD PRO 39 -0.658 -6.770 4.946 339 HD3 PRO 39 1HD PRO 39 -1.992 -7.669 4.185 340 H GLU 40 H GLU 40 -5.623 -3.945 5.746 341 HA GLU 40 HA GLU 40 -4.677 -1.321 6.022 342 HB2 GLU 40 2HB GLU 40 -7.059 -1.999 5.844 343 HB3 GLU 40 1HB GLU 40 -6.988 -2.686 7.463 344 HG2 GLU 40 2HG GLU 40 -6.507 -0.389 8.353 345 HG3 GLU 40 1HG GLU 40 -6.714 0.243 6.721 346 H GLU 41 H GLU 41 -4.908 -3.971 8.362 347 HA GLU 41 HA GLU 41 -4.061 -2.695 10.715 348 HB2 GLU 41 2HB GLU 41 -3.423 -4.979 11.506 349 HB3 GLU 41 1HB GLU 41 -5.024 -4.938 10.777 350 HG2 GLU 41 2HG GLU 41 -4.266 -6.032 8.784 351 HG3 GLU 41 1HG GLU 41 -2.575 -5.802 9.205 352 H ASN 42 H ASN 42 -2.222 -4.055 8.021 353 HA ASN 42 HA ASN 42 0.373 -4.027 9.188 354 HB2 ASN 42 2HB ASN 42 -0.239 -5.391 7.173 355 HB3 ASN 42 1HB ASN 42 -0.416 -3.917 6.237 356 HD21 ASN 42 1HD2 ASN 42 1.806 -6.172 7.632 357 HD22 ASN 42 2HD2 ASN 42 3.213 -5.555 6.854 358 H ILE 43 H ILE 43 -1.454 -1.758 7.188 359 HA ILE 43 HA ILE 43 0.635 0.245 7.100 360 HB ILE 43 HB ILE 43 -2.284 0.514 6.237 361 HG12 ILE 43 2HG1 ILE 43 -1.217 -1.346 4.987 362 HG13 ILE 43 1HG1 ILE 43 -1.500 0.021 3.924 363 HG21 ILE 43 1HG2 ILE 43 -1.449 2.382 4.829 364 HG22 ILE 43 2HG2 ILE 43 0.162 2.184 5.519 365 HG23 ILE 43 3HG2 ILE 43 -1.184 2.683 6.548 366 HD11 ILE 43 3HD1 ILE 43 0.625 -1.018 3.449 367 HD12 ILE 43 1HD1 ILE 43 1.154 -0.778 5.114 368 HD13 ILE 43 2HD1 ILE 43 0.880 0.615 4.064 369 H LEU 44 H LEU 44 0.902 0.325 9.411 370 HA LEU 44 HA LEU 44 -1.160 1.627 11.037 371 HG LEU 44 HG LEU 44 0.321 -0.089 14.011 372 HB2 LEU 44 2HB LEU 44 0.787 -0.300 11.621 373 HB3 LEU 44 1HB LEU 44 1.519 1.144 12.275 374 HD11 LEU 44 1HD1 LEU 44 -1.127 2.499 13.388 375 HD12 LEU 44 2HD1 LEU 44 0.385 2.329 14.279 376 HD13 LEU 44 3HD1 LEU 44 -1.103 1.667 14.949 377 HD21 LEU 44 3HD2 LEU 44 -2.107 -0.422 13.966 378 HD22 LEU 44 1HD2 LEU 44 -1.324 -1.231 12.610 379 HD23 LEU 44 2HD2 LEU 44 -2.192 0.285 12.350 380 H ASP 45 H ASP 45 1.465 2.496 9.058 381 HA ASP 45 HA ASP 45 2.392 4.839 10.399 382 HB2 ASP 45 2HB ASP 45 3.784 3.673 8.720 383 HB3 ASP 45 1HB ASP 45 2.614 4.052 7.461 384 HA PRO 46 HA PRO 46 -1.306 7.233 9.549 385 HB2 PRO 46 2HB PRO 46 -0.458 9.696 10.417 386 HB3 PRO 46 1HB PRO 46 -0.819 8.364 11.527 387 HG2 PRO 46 2HG PRO 46 1.862 9.242 10.434 388 HG3 PRO 46 1HG PRO 46 1.410 8.885 12.116 389 HD2 PRO 46 2HD PRO 46 2.690 7.062 10.592 390 HD3 PRO 46 1HD PRO 46 1.445 6.565 11.770 391 H ARG 47 H ARG 47 1.808 8.143 8.155 392 HA ARG 47 HA ARG 47 0.839 10.236 6.431 393 HE ARG 47 HE ARG 47 2.225 12.394 5.418 394 HB2 ARG 47 2HB ARG 47 3.458 8.680 6.418 395 HB3 ARG 47 1HB ARG 47 3.130 10.077 5.391 396 HG2 ARG 47 2HG ARG 47 3.182 10.117 8.438 397 HG3 ARG 47 1HG ARG 47 4.502 10.641 7.382 398 HD2 ARG 47 2HD ARG 47 1.739 11.899 7.624 399 HD3 ARG 47 1HD ARG 47 3.276 12.606 8.131 400 HH11 ARG 47 1HH1 ARG 47 4.975 13.334 7.395 401 HH12 ARG 47 2HH1 ARG 47 5.787 14.124 6.082 402 HH21 ARG 47 1HH2 ARG 47 3.304 13.427 3.724 403 HH22 ARG 47 2HH2 ARG 47 4.849 14.162 4.008 404 H LEU 48 H LEU 48 1.600 6.791 6.024 405 HA LEU 48 HA LEU 48 0.941 6.571 3.256 406 HG LEU 48 HG LEU 48 3.133 5.289 5.179 407 HB2 LEU 48 2HB LEU 48 0.800 4.477 5.460 408 HB3 LEU 48 1HB LEU 48 0.709 4.129 3.736 409 HD11 LEU 48 1HD1 LEU 48 2.748 2.967 5.820 410 HD12 LEU 48 2HD1 LEU 48 4.187 3.105 4.814 411 HD13 LEU 48 3HD1 LEU 48 2.688 2.478 4.123 412 HD21 LEU 48 3HD2 LEU 48 2.836 4.434 2.275 413 HD22 LEU 48 1HD2 LEU 48 4.344 4.918 3.060 414 HD23 LEU 48 2HD2 LEU 48 3.040 6.084 2.870 415 H LEU 49 H LEU 49 -0.917 6.263 6.261 416 HA LEU 49 HA LEU 49 -3.406 5.515 5.142 417 HG LEU 49 HG LEU 49 -2.143 4.341 7.571 418 HB2 LEU 49 2HB LEU 49 -2.654 6.785 7.784 419 HB3 LEU 49 1HB LEU 49 -4.332 6.460 7.375 420 HD11 LEU 49 1HD1 LEU 49 -4.392 4.969 9.510 421 HD12 LEU 49 2HD1 LEU 49 -2.666 5.231 9.775 422 HD13 LEU 49 3HD1 LEU 49 -3.289 3.591 9.615 423 HD21 LEU 49 3HD2 LEU 49 -3.987 2.703 7.391 424 HD22 LEU 49 1HD2 LEU 49 -3.848 3.696 5.940 425 HD23 LEU 49 2HD2 LEU 49 -5.134 4.017 7.108 426 H ILE 50 H ILE 50 -1.857 8.675 5.375 427 HA ILE 50 HA ILE 50 -4.143 10.282 4.837 428 HB ILE 50 HB ILE 50 -1.231 10.793 4.065 429 HG12 ILE 50 2HG1 ILE 50 -2.861 11.861 6.421 430 HG13 ILE 50 1HG1 ILE 50 -1.625 10.616 6.525 431 HG21 ILE 50 1HG2 ILE 50 -1.864 13.173 3.786 432 HG22 ILE 50 2HG2 ILE 50 -3.557 12.760 4.061 433 HG23 ILE 50 3HG2 ILE 50 -2.717 12.144 2.636 434 HD11 ILE 50 3HD1 ILE 50 -0.782 12.741 7.299 435 HD12 ILE 50 1HD1 ILE 50 -1.178 13.498 5.756 436 HD13 ILE 50 2HD1 ILE 50 0.071 12.252 5.836 437 H ALA 51 H ALA 51 -1.820 8.627 2.694 438 HA ALA 51 HA ALA 51 -2.885 9.418 0.195 439 HB1 ALA 51 1HB ALA 51 -1.402 6.852 0.874 440 HB2 ALA 51 2HB ALA 51 -0.657 8.386 0.425 441 HB3 ALA 51 3HB ALA 51 -1.637 7.509 -0.751 442 H PHE 52 H PHE 52 -3.751 6.794 2.383 443 HA PHE 52 HA PHE 52 -5.687 5.431 0.847 444 HD1 PHE 52 2HD PHE 52 -7.343 3.390 1.867 445 HD2 PHE 52 1HD PHE 52 -6.906 5.909 5.288 446 HE1 PHE 52 2HE PHE 52 -9.527 2.656 2.702 447 HE2 PHE 52 1HE PHE 52 -9.101 5.171 6.112 448 HZ PHE 52 HZ PHE 52 -10.411 3.538 4.817 449 HB2 PHE 52 2HB PHE 52 -5.014 4.294 2.793 450 HB3 PHE 52 1HB PHE 52 -5.119 5.727 3.798 451 H GLN 53 H GLN 53 -6.016 8.214 3.066 452 HA GLN 53 HA GLN 53 -8.839 8.494 3.018 453 HB2 GLN 53 2HB GLN 53 -6.675 10.594 3.483 454 HB3 GLN 53 1HB GLN 53 -8.383 10.812 3.872 455 HG2 GLN 53 2HG GLN 53 -8.311 9.282 5.646 456 HG3 GLN 53 1HG GLN 53 -6.846 8.504 5.056 457 HE21 GLN 53 1HE2 GLN 53 -5.754 8.714 6.979 458 HE22 GLN 53 2HE2 GLN 53 -5.212 10.226 7.607 459 H ASN 54 H ASN 54 -6.294 9.816 0.984 460 HA ASN 54 HA ASN 54 -7.905 11.461 -0.702 461 HB2 ASN 54 2HB ASN 54 -5.158 10.215 -1.160 462 HB3 ASN 54 1HB ASN 54 -5.895 11.410 -2.226 463 HD21 ASN 54 1HD2 ASN 54 -4.173 12.843 -1.854 464 HD22 ASN 54 2HD2 ASN 54 -4.009 13.712 -0.375 465 H ARG 55 H ARG 55 -6.894 8.082 -0.793 466 HA ARG 55 HA ARG 55 -7.779 7.417 -3.408 467 HE ARG 55 HE ARG 55 -7.359 6.519 -4.864 468 HB2 ARG 55 2HB ARG 55 -6.176 6.058 -1.948 469 HB3 ARG 55 1HB ARG 55 -7.568 5.520 -1.024 470 HG2 ARG 55 2HG ARG 55 -7.274 3.735 -2.470 471 HG3 ARG 55 1HG ARG 55 -8.471 4.679 -3.357 472 HD2 ARG 55 2HD ARG 55 -5.469 4.593 -3.868 473 HD3 ARG 55 1HD ARG 55 -6.725 3.875 -4.874 474 HH11 ARG 55 1HH1 ARG 55 -4.456 4.752 -5.746 475 HH12 ARG 55 2HH1 ARG 55 -3.900 5.986 -6.829 476 HH21 ARG 55 1HH2 ARG 55 -6.589 8.116 -6.284 477 HH22 ARG 55 2HH2 ARG 55 -5.100 7.869 -7.129 478 H GLU 56 H GLU 56 -9.379 7.479 -0.263 479 HA GLU 56 HA GLU 56 -11.847 6.241 -0.981 480 HB2 GLU 56 2HB GLU 56 -11.257 8.263 1.233 481 HB3 GLU 56 1HB GLU 56 -12.716 7.278 1.121 482 HG2 GLU 56 2HG GLU 56 -9.896 6.226 1.522 483 HG3 GLU 56 1HG GLU 56 -11.104 6.434 2.789 484 H ARG 57 H ARG 57 -10.674 9.568 -0.948 485 HA ARG 57 HA ARG 57 -13.284 10.694 -1.656 486 HE ARG 57 HE ARG 57 -13.345 15.785 -0.678 487 HB2 ARG 57 2HB ARG 57 -11.727 11.579 0.208 488 HB3 ARG 57 1HB ARG 57 -10.710 12.221 -1.075 489 HG2 ARG 57 2HG ARG 57 -12.600 13.642 -1.844 490 HG3 ARG 57 1HG ARG 57 -13.614 12.961 -0.566 491 HD2 ARG 57 2HD ARG 57 -12.020 13.863 1.132 492 HD3 ARG 57 1HD ARG 57 -11.101 14.623 -0.174 493 HH11 ARG 57 1HH1 ARG 57 -12.291 14.973 2.579 494 HH12 ARG 57 2HH1 ARG 57 -13.138 16.301 3.308 495 HH21 ARG 57 1HH2 ARG 57 -14.447 17.504 0.293 496 HH22 ARG 57 2HH2 ARG 57 -14.370 17.723 2.012 497 H GLN 58 H GLN 58 -11.191 9.207 -3.534 498 HA GLN 58 HA GLN 58 -10.560 11.035 -5.611 499 HB2 GLN 58 2HB GLN 58 -10.958 8.012 -5.637 500 HB3 GLN 58 1HB GLN 58 -10.524 8.917 -7.085 501 HG2 GLN 58 2HG GLN 58 -8.880 8.820 -4.538 502 HG3 GLN 58 1HG GLN 58 -8.584 7.851 -5.987 503 HE21 GLN 58 1HE2 GLN 58 -8.361 11.042 -4.571 504 HE22 GLN 58 2HE2 GLN 58 -7.376 11.736 -5.811 505 H GLU 59 H GLU 59 -13.085 8.488 -5.709 506 HA GLU 59 HA GLU 59 -15.113 8.302 -6.671 507 HB2 GLU 59 2HB GLU 59 -15.273 11.255 -5.930 508 HB3 GLU 59 1HB GLU 59 -16.659 10.270 -6.403 509 HG2 GLU 59 2HG GLU 59 -16.345 8.827 -4.448 510 HG3 GLU 59 1HG GLU 59 -14.890 9.721 -3.993 511 H GLN 60 H GLN 60 -12.828 9.059 -8.383 512 HA GLN 60 HA GLN 60 -13.976 10.545 -10.616 513 HB2 GLN 60 2HB GLN 60 -11.706 10.143 -11.686 514 HB3 GLN 60 1HB GLN 60 -11.676 11.070 -10.193 515 HG2 GLN 60 2HG GLN 60 -10.816 9.198 -8.945 516 HG3 GLN 60 1HG GLN 60 -11.064 8.098 -10.296 517 HE21 GLN 60 1HE2 GLN 60 -8.873 7.476 -10.181 518 HE22 GLN 60 2HE2 GLN 60 -7.606 8.488 -10.774 Start of MODEL 18 1 H1 GLY 1 1HT GLY 1 20.284 -5.217 2.604 2 H2 GLY 1 2HT GLY 1 21.241 -4.027 3.328 3 H3 GLY 1 3HT GLY 1 20.943 -5.473 4.142 4 HA2 GLY 1 1HA GLY 1 23.159 -5.488 3.268 5 HA3 GLY 1 2HA GLY 1 22.164 -6.709 2.470 6 H SER 2 H SER 2 23.811 -6.580 0.752 7 HA SER 2 HA SER 2 24.460 -4.206 -0.630 8 HG SER 2 HG SER 2 26.631 -5.463 -2.425 9 HB2 SER 2 2HB SER 2 25.883 -6.248 -0.659 10 HB3 SER 2 1HB SER 2 24.668 -7.081 -1.629 11 H GLU 3 H GLU 3 22.777 -3.041 -1.339 12 HA GLU 3 HA GLU 3 21.270 -2.179 -2.758 13 HB2 GLU 3 2HB GLU 3 21.851 -4.605 -4.505 14 HB3 GLU 3 1HB GLU 3 20.935 -3.186 -5.019 15 HG2 GLU 3 2HG GLU 3 22.952 -1.774 -4.590 16 HG3 GLU 3 1HG GLU 3 23.842 -3.233 -4.168 17 H HIS 4 H HIS 4 20.627 -4.941 -1.058 18 HA HIS 4 HA HIS 4 17.894 -5.349 -1.956 19 HD1 HIS 4 1HD HIS 4 20.736 -8.590 -0.599 20 HD2 HIS 4 2HD HIS 4 17.337 -7.724 -2.827 21 HE1 HIS 4 1HE HIS 4 20.615 -10.377 -2.360 22 HE2 HIS 4 2HE HIS 4 18.421 -9.968 -3.516 23 HB2 HIS 4 2HB HIS 4 19.559 -6.576 0.270 24 HB3 HIS 4 1HB HIS 4 17.827 -6.862 0.156 25 H VAL 5 H VAL 5 17.255 -3.149 -1.704 26 HA VAL 5 HA VAL 5 16.586 -2.347 1.063 27 HB VAL 5 HB VAL 5 17.056 -0.488 -1.322 28 HG11 VAL 5 1HG1 VAL 5 16.467 0.152 1.599 29 HG12 VAL 5 2HG1 VAL 5 15.377 0.423 0.237 30 HG13 VAL 5 3HG1 VAL 5 16.876 1.343 0.366 31 HG21 VAL 5 3HG2 VAL 5 19.103 0.267 -0.122 32 HG22 VAL 5 1HG2 VAL 5 19.197 -1.451 -0.537 33 HG23 VAL 5 2HG2 VAL 5 18.823 -0.960 1.116 34 H PHE 6 H PHE 6 14.476 -2.552 1.429 35 HA PHE 6 HA PHE 6 12.548 -1.589 -0.563 36 HD1 PHE 6 2HD PHE 6 14.117 -5.281 0.530 37 HD2 PHE 6 1HD PHE 6 10.425 -4.102 2.337 38 HE1 PHE 6 2HE PHE 6 14.483 -6.886 2.354 39 HE2 PHE 6 1HE PHE 6 10.803 -5.707 4.154 40 HZ PHE 6 HZ PHE 6 12.831 -7.099 4.166 41 HB2 PHE 6 2HB PHE 6 10.944 -3.412 0.059 42 HB3 PHE 6 1HB PHE 6 12.369 -4.016 -0.761 43 H ALA 7 H ALA 7 10.976 -0.344 0.299 44 HA ALA 7 HA ALA 7 10.346 -0.242 3.118 45 HB1 ALA 7 1HB ALA 7 10.980 2.148 3.426 46 HB2 ALA 7 2HB ALA 7 11.740 2.157 1.830 47 HB3 ALA 7 3HB ALA 7 12.394 1.142 3.116 48 H VAL 8 H VAL 8 8.249 0.519 3.320 49 HA VAL 8 HA VAL 8 6.655 0.775 1.010 50 HB VAL 8 HB VAL 8 5.804 -0.096 3.160 51 HG11 VAL 8 1HG1 VAL 8 6.915 1.412 4.743 52 HG12 VAL 8 2HG1 VAL 8 5.173 1.413 5.021 53 HG13 VAL 8 3HG1 VAL 8 5.930 2.766 4.181 54 HG21 VAL 8 3HG2 VAL 8 3.572 0.945 3.104 55 HG22 VAL 8 1HG2 VAL 8 4.194 0.692 1.473 56 HG23 VAL 8 2HG2 VAL 8 4.219 2.303 2.182 57 H GLU 9 H GLU 9 5.437 2.627 0.245 58 HA GLU 9 HA GLU 9 6.775 5.247 0.676 59 HB2 GLU 9 2HB GLU 9 7.602 4.031 -1.371 60 HB3 GLU 9 1HB GLU 9 5.961 4.012 -1.996 61 HG2 GLU 9 2HG GLU 9 6.028 6.546 -1.968 62 HG3 GLU 9 1HG GLU 9 7.742 6.426 -1.561 63 H SER 10 H SER 10 3.986 3.563 -0.802 64 HA SER 10 HA SER 10 2.067 5.505 0.164 65 HG SER 10 HG SER 10 1.227 7.361 -2.518 66 HB2 SER 10 2HB SER 10 3.094 6.644 -1.843 67 HB3 SER 10 1HB SER 10 2.594 5.284 -2.844 68 H ILE 11 H ILE 11 -0.147 4.983 -1.028 69 HA ILE 11 HA ILE 11 -0.468 2.048 -1.338 70 HB ILE 11 HB ILE 11 -2.499 4.122 -0.369 71 HG12 ILE 11 2HG1 ILE 11 -1.285 1.682 1.002 72 HG13 ILE 11 1HG1 ILE 11 -0.855 3.355 1.345 73 HG21 ILE 11 1HG2 ILE 11 -4.133 2.259 -0.150 74 HG22 ILE 11 2HG2 ILE 11 -2.990 1.163 -0.924 75 HG23 ILE 11 3HG2 ILE 11 -3.674 2.510 -1.839 76 HD11 ILE 11 3HD1 ILE 11 -3.151 3.736 2.182 77 HD12 ILE 11 1HD1 ILE 11 -2.288 2.478 3.066 78 HD13 ILE 11 2HD1 ILE 11 -3.517 2.032 1.885 79 H GLU 12 H GLU 12 -1.049 1.358 -3.265 80 HA GLU 12 HA GLU 12 -1.297 3.184 -5.517 81 HB2 GLU 12 2HB GLU 12 -0.945 0.149 -5.445 82 HB3 GLU 12 1HB GLU 12 -0.770 1.181 -6.861 83 HG2 GLU 12 2HG GLU 12 0.994 1.355 -4.405 84 HG3 GLU 12 1HG GLU 12 1.380 0.396 -5.829 85 H LYS 13 H LYS 13 -2.880 0.275 -4.209 86 HA LYS 13 HA LYS 13 -5.446 0.999 -5.470 87 HB2 LYS 13 2HB LYS 13 -4.274 -1.812 -5.473 88 HB3 LYS 13 1HB LYS 13 -5.821 -1.323 -6.158 89 HG2 LYS 13 2HG LYS 13 -4.604 0.032 -7.856 90 HG3 LYS 13 1HG LYS 13 -3.073 -0.525 -7.165 91 HD2 LYS 13 2HD LYS 13 -3.812 -2.899 -7.669 92 HD3 LYS 13 1HD LYS 13 -5.206 -2.222 -8.519 93 HE2 LYS 13 2HE LYS 13 -2.282 -1.803 -9.228 94 HE3 LYS 13 1HE LYS 13 -3.447 -2.788 -10.113 95 HZ1 LYS 13 3HZ LYS 13 -4.722 -0.755 -10.560 96 HZ2 LYS 13 1HZ LYS 13 -3.154 -0.671 -11.190 97 HZ3 LYS 13 2HZ LYS 13 -3.542 0.159 -9.773 98 H LYS 14 H LYS 14 -7.239 -0.416 -4.543 99 HA LYS 14 HA LYS 14 -6.927 -1.114 -1.709 100 HB2 LYS 14 2HB LYS 14 -7.313 1.404 -1.951 101 HB3 LYS 14 1HB LYS 14 -8.870 1.050 -2.668 102 HG2 LYS 14 2HG LYS 14 -8.112 0.262 0.155 103 HG3 LYS 14 1HG LYS 14 -8.874 1.795 -0.252 104 HD2 LYS 14 2HD LYS 14 -10.801 0.440 -1.224 105 HD3 LYS 14 1HD LYS 14 -10.038 -0.988 -0.528 106 HE2 LYS 14 2HE LYS 14 -11.674 -0.344 1.049 107 HE3 LYS 14 1HE LYS 14 -10.152 0.240 1.726 108 HZ1 LYS 14 3HZ LYS 14 -12.180 1.837 0.264 109 HZ2 LYS 14 1HZ LYS 14 -10.682 2.433 0.766 110 HZ3 LYS 14 2HZ LYS 14 -11.815 1.928 1.910 111 H ARG 15 H ARG 15 -8.443 -2.658 -1.074 112 HA ARG 15 HA ARG 15 -11.075 -2.696 -2.306 113 HE ARG 15 HE ARG 15 -7.967 -4.948 -4.684 114 HB2 ARG 15 2HB ARG 15 -11.165 -5.109 -2.756 115 HB3 ARG 15 1HB ARG 15 -9.894 -4.374 -3.726 116 HG2 ARG 15 2HG ARG 15 -9.155 -5.590 -1.066 117 HG3 ARG 15 1HG ARG 15 -9.483 -6.667 -2.425 118 HD2 ARG 15 2HD ARG 15 -7.452 -4.409 -2.441 119 HD3 ARG 15 1HD ARG 15 -7.070 -6.114 -2.135 120 HH11 ARG 15 1HH1 ARG 15 -6.679 -7.737 -2.952 121 HH12 ARG 15 2HH1 ARG 15 -6.384 -8.639 -4.400 122 HH21 ARG 15 1HH2 ARG 15 -7.571 -6.140 -6.545 123 HH22 ARG 15 2HH2 ARG 15 -6.887 -7.727 -6.444 124 H ILE 16 H ILE 16 -12.641 -3.552 -0.981 125 HA ILE 16 HA ILE 16 -11.851 -4.985 1.488 126 HB ILE 16 HB ILE 16 -14.246 -3.145 1.000 127 HG12 ILE 16 2HG1 ILE 16 -12.154 -3.216 3.189 128 HG13 ILE 16 1HG1 ILE 16 -12.087 -2.135 1.797 129 HG21 ILE 16 1HG2 ILE 16 -13.888 -5.080 3.336 130 HG22 ILE 16 2HG2 ILE 16 -15.129 -5.190 2.085 131 HG23 ILE 16 3HG2 ILE 16 -15.140 -3.843 3.222 132 HD11 ILE 16 3HD1 ILE 16 -12.849 -0.980 3.773 133 HD12 ILE 16 1HD1 ILE 16 -14.177 -2.122 3.971 134 HD13 ILE 16 2HD1 ILE 16 -14.138 -1.042 2.574 135 H ARG 17 H ARG 17 -12.472 -7.040 1.514 136 HA ARG 17 HA ARG 17 -14.906 -7.958 0.330 137 HE ARG 17 HE ARG 17 -14.057 -8.267 -3.517 138 HB2 ARG 17 2HB ARG 17 -13.451 -7.896 -1.691 139 HB3 ARG 17 1HB ARG 17 -12.281 -8.938 -0.892 140 HG2 ARG 17 2HG ARG 17 -13.832 -10.802 -0.911 141 HG3 ARG 17 1HG ARG 17 -15.141 -9.772 -1.496 142 HD2 ARG 17 2HD ARG 17 -12.606 -10.460 -3.037 143 HD3 ARG 17 1HD ARG 17 -14.204 -11.165 -3.306 144 HH11 ARG 17 1HH1 ARG 17 -13.952 -11.275 -5.336 145 HH12 ARG 17 2HH1 ARG 17 -14.328 -10.504 -6.842 146 HH21 ARG 17 1HH2 ARG 17 -14.567 -7.289 -5.486 147 HH22 ARG 17 2HH2 ARG 17 -14.691 -8.246 -6.928 148 H LYS 18 H LYS 18 -15.664 -9.527 1.567 149 HA LYS 18 HA LYS 18 -15.917 -11.164 3.082 150 HB2 LYS 18 2HB LYS 18 -13.177 -12.030 2.067 151 HB3 LYS 18 1HB LYS 18 -14.205 -13.023 3.095 152 HG2 LYS 18 2HG LYS 18 -14.854 -12.084 0.277 153 HG3 LYS 18 1HG LYS 18 -14.384 -13.718 0.745 154 HD2 LYS 18 2HD LYS 18 -16.924 -12.275 1.616 155 HD3 LYS 18 1HD LYS 18 -16.835 -13.525 0.374 156 HE2 LYS 18 2HE LYS 18 -16.215 -15.201 2.028 157 HE3 LYS 18 1HE LYS 18 -16.063 -13.969 3.282 158 HZ1 LYS 18 3HZ LYS 18 -18.570 -14.732 1.905 159 HZ2 LYS 18 1HZ LYS 18 -18.427 -13.560 3.115 160 HZ3 LYS 18 2HZ LYS 18 -18.119 -15.183 3.467 161 H GLY 19 H GLY 19 -15.056 -8.708 4.077 162 HA2 GLY 19 2HA GLY 19 -14.624 -7.836 6.163 163 HA3 GLY 19 1HA GLY 19 -14.268 -9.453 6.735 164 H ARG 20 H ARG 20 -12.520 -8.302 3.971 165 HA ARG 20 HA ARG 20 -10.094 -7.860 5.606 166 HE ARG 20 HE ARG 20 -10.415 -9.770 7.456 167 HB2 ARG 20 2HB ARG 20 -10.294 -9.503 3.049 168 HB3 ARG 20 1HB ARG 20 -8.789 -9.062 3.843 169 HG2 ARG 20 2HG ARG 20 -10.926 -10.782 5.154 170 HG3 ARG 20 1HG ARG 20 -9.583 -11.435 4.220 171 HD2 ARG 20 2HD ARG 20 -8.997 -11.591 6.554 172 HD3 ARG 20 1HD ARG 20 -7.994 -10.331 5.835 173 HH11 ARG 20 1HH1 ARG 20 -7.082 -8.979 6.639 174 HH12 ARG 20 2HH1 ARG 20 -7.034 -7.613 7.705 175 HH21 ARG 20 1HH2 ARG 20 -10.296 -8.000 8.857 176 HH22 ARG 20 2HH2 ARG 20 -8.832 -7.073 8.948 177 H VAL 21 H VAL 21 -9.351 -5.872 5.236 178 HA VAL 21 HA VAL 21 -9.714 -4.659 2.570 179 HB VAL 21 HB VAL 21 -10.685 -3.276 4.311 180 HG11 VAL 21 1HG1 VAL 21 -7.971 -3.162 5.651 181 HG12 VAL 21 2HG1 VAL 21 -9.405 -3.982 6.272 182 HG13 VAL 21 3HG1 VAL 21 -9.391 -2.222 6.119 183 HG21 VAL 21 3HG2 VAL 21 -9.675 -2.139 2.389 184 HG22 VAL 21 1HG2 VAL 21 -8.131 -2.033 3.241 185 HG23 VAL 21 2HG2 VAL 21 -9.532 -1.139 3.838 186 H GLU 22 H GLU 22 -8.085 -4.690 1.276 187 HA GLU 22 HA GLU 22 -5.321 -5.127 2.245 188 HB2 GLU 22 2HB GLU 22 -6.500 -5.776 -0.478 189 HB3 GLU 22 1HB GLU 22 -4.893 -6.207 0.089 190 HG2 GLU 22 2HG GLU 22 -5.712 -7.894 1.504 191 HG3 GLU 22 1HG GLU 22 -7.351 -7.235 1.511 192 H TYR 23 H TYR 23 -3.671 -3.971 1.261 193 HA TYR 23 HA TYR 23 -4.331 -1.630 -0.410 194 HD1 TYR 23 2HD TYR 23 -5.666 -0.151 0.467 195 HD2 TYR 23 1HD TYR 23 -3.650 -0.981 4.146 196 HE1 TYR 23 2HE TYR 23 -7.564 0.721 1.729 197 HE2 TYR 23 1HE TYR 23 -5.577 -0.112 5.396 198 HH TYR 23 HH TYR 23 -7.459 1.496 4.965 199 HB2 TYR 23 2HB TYR 23 -2.612 -1.622 2.117 200 HB3 TYR 23 1HB TYR 23 -2.778 -0.262 1.011 201 H LEU 24 H LEU 24 -3.099 -1.755 -2.193 202 HA LEU 24 HA LEU 24 -0.761 -3.445 -2.364 203 HG LEU 24 HG LEU 24 0.507 -2.322 -4.924 204 HB2 LEU 24 2HB LEU 24 -2.379 -3.040 -4.276 205 HB3 LEU 24 1HB LEU 24 -1.763 -1.400 -4.389 206 HD11 LEU 24 1HD1 LEU 24 0.337 -4.495 -3.823 207 HD12 LEU 24 2HD1 LEU 24 0.750 -4.695 -5.522 208 HD13 LEU 24 3HD1 LEU 24 -0.900 -5.008 -4.974 209 HD21 LEU 24 3HD2 LEU 24 -1.686 -3.273 -6.785 210 HD22 LEU 24 1HD2 LEU 24 0.007 -3.018 -7.217 211 HD23 LEU 24 2HD2 LEU 24 -0.996 -1.648 -6.742 212 H VAL 25 H VAL 25 1.071 -2.747 -1.344 213 HA VAL 25 HA VAL 25 1.499 0.109 -0.921 214 HB VAL 25 HB VAL 25 3.438 -0.574 0.492 215 HG11 VAL 25 1HG1 VAL 25 1.215 -0.243 1.484 216 HG12 VAL 25 2HG1 VAL 25 2.079 -1.533 2.320 217 HG13 VAL 25 3HG1 VAL 25 0.800 -1.933 1.171 218 HG21 VAL 25 3HG2 VAL 25 3.770 -2.950 1.101 219 HG22 VAL 25 1HG2 VAL 25 4.072 -2.686 -0.619 220 HG23 VAL 25 2HG2 VAL 25 2.563 -3.435 -0.093 221 H LYS 26 H LYS 26 2.722 1.329 -2.113 222 HA LYS 26 HA LYS 26 4.453 0.409 -4.183 223 HB2 LYS 26 2HB LYS 26 3.272 2.573 -4.294 224 HB3 LYS 26 1HB LYS 26 4.151 3.152 -2.888 225 HG2 LYS 26 2HG LYS 26 5.017 4.084 -4.991 226 HG3 LYS 26 1HG LYS 26 6.235 3.142 -4.129 227 HD2 LYS 26 2HD LYS 26 5.856 1.237 -5.673 228 HD3 LYS 26 1HD LYS 26 4.615 2.171 -6.523 229 HE2 LYS 26 2HE LYS 26 6.796 2.198 -7.707 230 HE3 LYS 26 1HE LYS 26 6.281 3.813 -7.221 231 HZ1 LYS 26 3HZ LYS 26 7.788 3.678 -5.324 232 HZ2 LYS 26 1HZ LYS 26 8.620 3.476 -6.784 233 HZ3 LYS 26 2HZ LYS 26 8.290 2.135 -5.811 234 H TRP 27 H TRP 27 6.330 -0.565 -3.723 235 HA TRP 27 HA TRP 27 7.937 0.126 -1.401 236 HD1 TRP 27 HD TRP 27 6.304 -3.397 -3.356 237 HE1 TRP 27 1HE TRP 27 5.345 -4.758 -1.398 238 HE3 TRP 27 3HE TRP 27 9.259 -1.614 0.397 239 HZ2 TRP 27 2HZ TRP 27 5.776 -5.043 1.371 240 HZ3 TRP 27 3HZ TRP 27 8.939 -2.476 2.670 241 HH2 TRP 27 HH TRP 27 7.228 -4.155 3.153 242 HB2 TRP 27 2HB TRP 27 8.441 -1.859 -3.670 243 HB3 TRP 27 1HB TRP 27 9.477 -1.661 -2.259 244 H ARG 28 H ARG 28 9.643 1.443 -1.394 245 HA ARG 28 HA ARG 28 10.151 3.289 -3.468 246 HE ARG 28 HE ARG 28 12.227 5.772 -1.320 247 HB2 ARG 28 2HB ARG 28 11.745 2.660 -0.948 248 HB3 ARG 28 1HB ARG 28 12.060 4.038 -2.002 249 HG2 ARG 28 2HG ARG 28 9.720 4.852 -1.506 250 HG3 ARG 28 1HG ARG 28 9.577 3.552 -0.316 251 HD2 ARG 28 2HD ARG 28 10.206 5.730 0.711 252 HD3 ARG 28 1HD ARG 28 11.443 4.492 0.974 253 HH11 ARG 28 1HH1 ARG 28 11.575 6.933 1.927 254 HH12 ARG 28 2HH1 ARG 28 12.742 8.207 1.815 255 HH21 ARG 28 1HH2 ARG 28 13.743 7.415 -1.441 256 HH22 ARG 28 2HH2 ARG 28 13.965 8.487 -0.091 257 H GLY 29 H GLY 29 11.714 3.333 -5.021 258 HA2 GLY 29 2HA GLY 29 13.595 2.729 -6.240 259 HA3 GLY 29 1HA GLY 29 13.917 1.417 -5.117 260 H TRP 30 H TRP 30 11.363 0.192 -5.218 261 HA TRP 30 HA TRP 30 11.558 -1.311 -7.677 262 HD1 TRP 30 HD TRP 30 11.432 -1.682 -3.334 263 HE1 TRP 30 1HE TRP 30 13.411 -3.228 -2.803 264 HE3 TRP 30 3HE TRP 30 11.694 -4.234 -7.777 265 HZ2 TRP 30 2HZ TRP 30 14.901 -5.249 -4.082 266 HZ3 TRP 30 3HZ TRP 30 13.435 -5.962 -8.039 267 HH2 TRP 30 HH TRP 30 15.004 -6.459 -6.224 268 HB2 TRP 30 2HB TRP 30 9.639 -1.590 -5.306 269 HB3 TRP 30 1HB TRP 30 9.827 -2.754 -6.616 270 H SER 31 H SER 31 9.957 -1.517 -9.228 271 HA SER 31 HA SER 31 8.345 0.780 -9.819 272 HG SER 31 HG SER 31 10.457 -0.846 -11.278 273 HB2 SER 31 2HB SER 31 8.466 -1.964 -11.153 274 HB3 SER 31 1HB SER 31 7.674 -0.536 -11.827 275 HA PRO 32 HA PRO 32 4.343 -0.280 -8.025 276 HB2 PRO 32 2HB PRO 32 2.647 0.009 -10.273 277 HB3 PRO 32 1HB PRO 32 3.134 1.300 -9.170 278 HG2 PRO 32 2HG PRO 32 4.315 0.520 -11.824 279 HG3 PRO 32 1HG PRO 32 4.006 2.143 -11.171 280 HD2 PRO 32 2HD PRO 32 6.479 1.163 -11.167 281 HD3 PRO 32 1HD PRO 32 5.890 2.061 -9.747 282 H LYS 33 H LYS 33 5.392 -2.019 -10.890 283 HA LYS 33 HA LYS 33 3.442 -4.155 -10.638 284 HB2 LYS 33 2HB LYS 33 4.663 -5.190 -12.521 285 HB3 LYS 33 1HB LYS 33 4.216 -3.520 -12.847 286 HG2 LYS 33 2HG LYS 33 6.572 -2.832 -12.292 287 HG3 LYS 33 1HG LYS 33 6.981 -4.542 -12.110 288 HD2 LYS 33 2HD LYS 33 7.653 -3.764 -14.329 289 HD3 LYS 33 1HD LYS 33 6.339 -4.932 -14.485 290 HE2 LYS 33 2HE LYS 33 4.738 -2.999 -14.718 291 HE3 LYS 33 1HE LYS 33 6.120 -1.903 -14.703 292 HZ1 LYS 33 3HZ LYS 33 5.561 -4.010 -16.709 293 HZ2 LYS 33 1HZ LYS 33 6.946 -3.041 -16.682 294 HZ3 LYS 33 2HZ LYS 33 5.432 -2.340 -16.932 295 H TYR 34 H TYR 34 6.203 -3.443 -8.886 296 HA TYR 34 HA TYR 34 6.659 -6.289 -8.137 297 HD1 TYR 34 1HD TYR 34 8.929 -7.427 -9.010 298 HD2 TYR 34 2HD TYR 34 9.163 -3.287 -10.034 299 HE1 TYR 34 1HE TYR 34 9.867 -8.023 -11.195 300 HE2 TYR 34 2HE TYR 34 10.107 -3.888 -12.223 301 HH TYR 34 HH TYR 34 11.213 -5.683 -13.340 302 HB2 TYR 34 2HB TYR 34 8.531 -3.882 -7.820 303 HB3 TYR 34 1HB TYR 34 8.873 -5.511 -7.240 304 H ASN 35 H ASN 35 4.521 -4.418 -7.266 305 HA ASN 35 HA ASN 35 5.099 -3.918 -4.441 306 HB2 ASN 35 2HB ASN 35 2.678 -3.258 -6.159 307 HB3 ASN 35 1HB ASN 35 2.789 -2.894 -4.437 308 HD21 ASN 35 1HD2 ASN 35 2.329 -0.930 -6.286 309 HD22 ASN 35 2HD2 ASN 35 3.691 0.126 -6.365 310 H THR 36 H THR 36 3.586 -4.615 -2.779 311 HA THR 36 HA THR 36 2.347 -7.267 -3.291 312 HB THR 36 HB THR 36 3.041 -7.866 -0.924 313 HG1 THR 36 1HG THR 36 3.499 -5.948 0.034 314 HG21 THR 36 3HG2 THR 36 4.378 -8.714 -2.821 315 HG22 THR 36 1HG2 THR 36 5.412 -8.358 -1.431 316 HG23 THR 36 2HG2 THR 36 5.350 -7.241 -2.795 317 H TRP 37 H TRP 37 0.426 -7.726 -2.157 318 HA TRP 37 HA TRP 37 -1.157 -5.466 -1.247 319 HD1 TRP 37 HD TRP 37 -1.476 -8.684 -4.126 320 HE1 TRP 37 1HE TRP 37 -2.570 -7.531 -6.144 321 HE3 TRP 37 3HE TRP 37 -3.892 -4.905 -1.685 322 HZ2 TRP 37 2HZ TRP 37 -4.240 -5.308 -6.641 323 HZ3 TRP 37 3HZ TRP 37 -5.207 -3.298 -2.995 324 HH2 TRP 37 HH TRP 37 -5.378 -3.504 -5.428 325 HB2 TRP 37 2HB TRP 37 -1.788 -8.444 -1.503 326 HB3 TRP 37 1HB TRP 37 -2.956 -7.247 -0.951 327 H GLU 38 H GLU 38 -0.641 -4.744 0.747 328 HA GLU 38 HA GLU 38 -0.194 -6.605 2.968 329 HB2 GLU 38 2HB GLU 38 -0.007 -3.562 2.941 330 HB3 GLU 38 1HB GLU 38 0.473 -4.622 4.262 331 HG2 GLU 38 2HG GLU 38 1.772 -4.348 1.555 332 HG3 GLU 38 1HG GLU 38 2.440 -3.884 3.117 333 HA PRO 39 HA PRO 39 -4.473 -5.860 4.400 334 HB2 PRO 39 2HB PRO 39 -4.137 -7.064 6.870 335 HB3 PRO 39 1HB PRO 39 -4.484 -7.957 5.385 336 HG2 PRO 39 2HG PRO 39 -1.829 -7.484 6.730 337 HG3 PRO 39 1HG PRO 39 -2.470 -8.987 6.037 338 HD2 PRO 39 2HD PRO 39 -0.686 -7.471 4.688 339 HD3 PRO 39 1HD PRO 39 -1.995 -8.329 3.841 340 H GLU 40 H GLU 40 -5.389 -4.682 6.222 341 HA GLU 40 HA GLU 40 -4.212 -2.208 6.709 342 HB2 GLU 40 2HB GLU 40 -6.066 -1.733 8.181 343 HB3 GLU 40 1HB GLU 40 -6.674 -2.730 6.869 344 HG2 GLU 40 2HG GLU 40 -5.976 -3.784 9.634 345 HG3 GLU 40 1HG GLU 40 -7.594 -3.310 9.138 346 H GLU 41 H GLU 41 -3.880 -5.183 8.535 347 HA GLU 41 HA GLU 41 -2.983 -4.092 11.011 348 HB2 GLU 41 2HB GLU 41 -2.287 -6.423 11.521 349 HB3 GLU 41 1HB GLU 41 -3.922 -6.340 10.875 350 HG2 GLU 41 2HG GLU 41 -3.070 -7.028 8.653 351 HG3 GLU 41 1HG GLU 41 -1.448 -7.156 9.328 352 H ASN 42 H ASN 42 -1.325 -4.992 8.004 353 HA ASN 42 HA ASN 42 1.342 -4.510 9.042 354 HB2 ASN 42 2HB ASN 42 0.379 -4.786 6.156 355 HB3 ASN 42 1HB ASN 42 2.072 -4.683 6.648 356 HD21 ASN 42 1HD2 ASN 42 2.680 -6.696 5.925 357 HD22 ASN 42 2HD2 ASN 42 2.063 -8.176 6.564 358 H ILE 43 H ILE 43 -1.230 -2.557 7.937 359 HA ILE 43 HA ILE 43 0.490 -0.277 7.196 360 HB ILE 43 HB ILE 43 -2.521 -0.621 6.787 361 HG12 ILE 43 2HG1 ILE 43 -1.312 -2.247 5.401 362 HG13 ILE 43 1HG1 ILE 43 -1.944 -0.975 4.368 363 HG21 ILE 43 1HG2 ILE 43 -0.644 1.511 5.674 364 HG22 ILE 43 2HG2 ILE 43 -1.893 1.757 6.898 365 HG23 ILE 43 3HG2 ILE 43 -2.351 1.325 5.251 366 HD11 ILE 43 3HD1 ILE 43 0.285 -1.644 3.711 367 HD12 ILE 43 1HD1 ILE 43 0.909 -1.214 5.302 368 HD13 ILE 43 2HD1 ILE 43 0.265 0.038 4.237 369 H LEU 44 H LEU 44 1.009 -0.372 9.522 370 HA LEU 44 HA LEU 44 -0.923 0.690 11.425 371 HG LEU 44 HG LEU 44 1.218 1.397 13.689 372 HB2 LEU 44 2HB LEU 44 0.792 -1.081 11.973 373 HB3 LEU 44 1HB LEU 44 2.050 0.117 11.744 374 HD11 LEU 44 1HD1 LEU 44 -0.559 0.485 15.139 375 HD12 LEU 44 2HD1 LEU 44 -0.875 -0.781 13.948 376 HD13 LEU 44 3HD1 LEU 44 -1.161 0.911 13.537 377 HD21 LEU 44 3HD2 LEU 44 1.648 -1.542 14.322 378 HD22 LEU 44 1HD2 LEU 44 1.851 -0.198 15.451 379 HD23 LEU 44 2HD2 LEU 44 2.915 -0.343 14.054 380 H ASP 45 H ASP 45 1.094 1.932 9.077 381 HA ASP 45 HA ASP 45 2.016 4.326 10.423 382 HB2 ASP 45 2HB ASP 45 3.482 3.119 8.850 383 HB3 ASP 45 1HB ASP 45 2.321 3.370 7.548 384 HA PRO 46 HA PRO 46 -1.696 6.574 9.177 385 HB2 PRO 46 2HB PRO 46 -0.476 9.032 10.258 386 HB3 PRO 46 1HB PRO 46 -1.822 8.081 10.894 387 HG2 PRO 46 2HG PRO 46 0.602 8.189 12.126 388 HG3 PRO 46 1HG PRO 46 -0.443 6.754 12.207 389 HD2 PRO 46 2HD PRO 46 1.931 7.271 10.397 390 HD3 PRO 46 1HD PRO 46 1.540 5.821 11.354 391 H ARG 47 H ARG 47 1.489 7.429 8.009 392 HA ARG 47 HA ARG 47 0.713 9.634 6.320 393 HE ARG 47 HE ARG 47 3.632 11.282 5.508 394 HB2 ARG 47 2HB ARG 47 3.175 7.850 6.177 395 HB3 ARG 47 1HB ARG 47 2.971 9.360 5.298 396 HG2 ARG 47 2HG ARG 47 3.062 9.108 8.331 397 HG3 ARG 47 1HG ARG 47 4.424 9.575 7.308 398 HD2 ARG 47 2HD ARG 47 1.810 11.100 7.607 399 HD3 ARG 47 1HD ARG 47 3.366 11.559 8.308 400 HH11 ARG 47 1HH1 ARG 47 2.193 13.515 7.820 401 HH12 ARG 47 2HH1 ARG 47 2.285 14.863 6.736 402 HH21 ARG 47 1HH2 ARG 47 3.708 13.050 4.108 403 HH22 ARG 47 2HH2 ARG 47 3.126 14.598 4.630 404 H LEU 48 H LEU 48 0.877 6.162 5.981 405 HA LEU 48 HA LEU 48 0.422 5.978 3.167 406 HG LEU 48 HG LEU 48 2.166 4.410 5.454 407 HB2 LEU 48 2HB LEU 48 -0.246 3.966 5.347 408 HB3 LEU 48 1HB LEU 48 -0.136 3.623 3.624 409 HD11 LEU 48 1HD1 LEU 48 1.580 1.772 4.081 410 HD12 LEU 48 2HD1 LEU 48 1.413 2.117 5.806 411 HD13 LEU 48 3HD1 LEU 48 3.006 2.151 5.054 412 HD21 LEU 48 3HD2 LEU 48 3.641 4.048 3.506 413 HD22 LEU 48 1HD2 LEU 48 2.524 5.389 3.250 414 HD23 LEU 48 2HD2 LEU 48 2.228 3.834 2.471 415 H LEU 49 H LEU 49 -1.654 6.318 5.992 416 HA LEU 49 HA LEU 49 -4.152 5.726 4.768 417 HG LEU 49 HG LEU 49 -2.734 5.280 7.721 418 HB2 LEU 49 2HB LEU 49 -3.630 7.499 7.183 419 HB3 LEU 49 1HB LEU 49 -5.182 6.806 6.730 420 HD11 LEU 49 1HD1 LEU 49 -3.916 6.459 9.492 421 HD12 LEU 49 2HD1 LEU 49 -4.153 4.721 9.651 422 HD13 LEU 49 3HD1 LEU 49 -5.449 5.729 9.000 423 HD21 LEU 49 3HD2 LEU 49 -3.857 3.926 6.028 424 HD22 LEU 49 1HD2 LEU 49 -5.415 4.160 6.827 425 HD23 LEU 49 2HD2 LEU 49 -4.134 3.245 7.628 426 H ILE 50 H ILE 50 -2.148 8.604 4.812 427 HA ILE 50 HA ILE 50 -4.052 10.489 3.828 428 HB ILE 50 HB ILE 50 -1.023 10.410 3.419 429 HG12 ILE 50 2HG1 ILE 50 -2.656 11.862 5.553 430 HG13 ILE 50 1HG1 ILE 50 -1.682 10.423 5.827 431 HG21 ILE 50 1HG2 ILE 50 -2.937 12.751 3.085 432 HG22 ILE 50 2HG2 ILE 50 -2.084 11.912 1.786 433 HG23 ILE 50 3HG2 ILE 50 -1.177 12.840 2.981 434 HD11 ILE 50 3HD1 ILE 50 -0.649 13.144 5.026 435 HD12 ILE 50 1HD1 ILE 50 0.341 11.702 5.271 436 HD13 ILE 50 2HD1 ILE 50 -0.549 12.402 6.621 437 H ALA 51 H ALA 51 -1.662 8.380 2.240 438 HA ALA 51 HA ALA 51 -2.235 8.982 -0.457 439 HB1 ALA 51 1HB ALA 51 -1.024 6.894 -0.970 440 HB2 ALA 51 2HB ALA 51 -1.126 6.414 0.728 441 HB3 ALA 51 3HB ALA 51 -0.183 7.833 0.265 442 H PHE 52 H PHE 52 -3.629 6.656 1.779 443 HA PHE 52 HA PHE 52 -5.399 5.251 0.116 444 HD1 PHE 52 1HD PHE 52 -7.059 3.196 1.169 445 HD2 PHE 52 2HD PHE 52 -7.462 6.346 4.035 446 HE1 PHE 52 1HE PHE 52 -9.356 2.490 1.649 447 HE2 PHE 52 2HE PHE 52 -9.767 5.622 4.503 448 HZ PHE 52 HZ PHE 52 -10.713 3.690 3.308 449 HB2 PHE 52 2HB PHE 52 -5.026 4.395 2.304 450 HB3 PHE 52 1HB PHE 52 -5.347 5.942 3.069 451 H GLN 53 H GLN 53 -5.988 8.167 2.127 452 HA GLN 53 HA GLN 53 -8.672 8.608 1.454 453 HB2 GLN 53 2HB GLN 53 -6.541 10.616 2.302 454 HB3 GLN 53 1HB GLN 53 -8.252 11.009 2.178 455 HG2 GLN 53 2HG GLN 53 -7.027 8.973 4.055 456 HG3 GLN 53 1HG GLN 53 -7.612 10.576 4.495 457 HE21 GLN 53 1HE2 GLN 53 -8.444 7.926 5.466 458 HE22 GLN 53 2HE2 GLN 53 -10.144 7.824 5.166 459 H ASN 54 H ASN 54 -5.722 9.891 -0.037 460 HA ASN 54 HA ASN 54 -6.824 11.595 -1.964 461 HB2 ASN 54 2HB ASN 54 -4.266 9.929 -2.113 462 HB3 ASN 54 1HB ASN 54 -4.664 11.233 -3.230 463 HD21 ASN 54 1HD2 ASN 54 -2.383 10.952 -1.419 464 HD22 ASN 54 2HD2 ASN 54 -2.409 12.344 -0.399 465 H ARG 55 H ARG 55 -6.006 8.126 -2.171 466 HA ARG 55 HA ARG 55 -6.538 7.793 -4.926 467 HE ARG 55 HE ARG 55 -7.892 3.514 -3.232 468 HB2 ARG 55 2HB ARG 55 -5.183 6.270 -3.330 469 HB3 ARG 55 1HB ARG 55 -6.731 5.577 -2.860 470 HG2 ARG 55 2HG ARG 55 -6.937 5.336 -5.573 471 HG3 ARG 55 1HG ARG 55 -5.184 5.280 -5.401 472 HD2 ARG 55 2HD ARG 55 -5.897 3.030 -5.352 473 HD3 ARG 55 1HD ARG 55 -5.562 3.433 -3.666 474 HH11 ARG 55 1HH1 ARG 55 -7.211 2.363 -6.495 475 HH12 ARG 55 2HH1 ARG 55 -8.817 1.758 -6.731 476 HH21 ARG 55 1HH2 ARG 55 -9.968 2.711 -3.567 477 HH22 ARG 55 2HH2 ARG 55 -10.382 1.962 -5.080 478 H GLU 56 H GLU 56 -8.547 7.286 -2.045 479 HA GLU 56 HA GLU 56 -10.754 6.022 -3.282 480 HB2 GLU 56 2HB GLU 56 -10.694 7.724 -0.753 481 HB3 GLU 56 1HB GLU 56 -12.009 6.648 -1.220 482 HG2 GLU 56 2HG GLU 56 -9.191 5.865 -0.433 483 HG3 GLU 56 1HG GLU 56 -10.667 5.583 0.482 484 H ARG 57 H ARG 57 -9.961 9.406 -2.724 485 HA ARG 57 HA ARG 57 -12.522 10.445 -3.597 486 HE ARG 57 HE ARG 57 -11.607 11.813 1.215 487 HB2 ARG 57 2HB ARG 57 -9.898 11.811 -2.887 488 HB3 ARG 57 1HB ARG 57 -11.395 12.669 -3.257 489 HG2 ARG 57 2HG ARG 57 -12.494 11.666 -1.308 490 HG3 ARG 57 1HG ARG 57 -11.054 10.706 -0.957 491 HD2 ARG 57 2HD ARG 57 -9.781 12.776 -0.537 492 HD3 ARG 57 1HD ARG 57 -11.215 13.740 -0.907 493 HH11 ARG 57 1HH1 ARG 57 -10.605 15.103 0.501 494 HH12 ARG 57 2HH1 ARG 57 -10.896 15.666 2.113 495 HH21 ARG 57 1HH2 ARG 57 -11.999 12.559 3.303 496 HH22 ARG 57 2HH2 ARG 57 -11.677 14.211 3.714 497 H GLN 58 H GLN 58 -9.379 9.824 -5.032 498 HA GLN 58 HA GLN 58 -9.896 11.253 -7.491 499 HB2 GLN 58 2HB GLN 58 -7.789 9.131 -6.838 500 HB3 GLN 58 1HB GLN 58 -7.874 10.027 -8.351 501 HG2 GLN 58 2HG GLN 58 -7.260 11.126 -5.606 502 HG3 GLN 58 1HG GLN 58 -6.177 11.034 -6.994 503 HE21 GLN 58 1HE2 GLN 58 -6.502 12.502 -8.732 504 HE22 GLN 58 2HE2 GLN 58 -7.383 13.969 -8.514 505 H GLU 59 H GLU 59 -10.387 7.982 -6.285 506 HA GLU 59 HA GLU 59 -11.262 6.895 -8.817 507 HB2 GLU 59 2HB GLU 59 -10.256 5.435 -7.065 508 HB3 GLU 59 1HB GLU 59 -11.594 5.798 -5.978 509 HG2 GLU 59 2HG GLU 59 -13.163 4.695 -7.534 510 HG3 GLU 59 1HG GLU 59 -11.838 4.361 -8.647 511 H GLN 60 H GLN 60 -12.896 8.140 -9.554 512 HA GLN 60 HA GLN 60 -15.086 9.110 -8.000 513 HB2 GLN 60 2HB GLN 60 -15.997 9.848 -10.259 514 HB3 GLN 60 1HB GLN 60 -14.408 10.470 -9.837 515 HG2 GLN 60 2HG GLN 60 -13.353 8.804 -11.318 516 HG3 GLN 60 1HG GLN 60 -14.943 8.180 -11.752 517 HE21 GLN 60 1HE2 GLN 60 -14.603 8.640 -13.950 518 HE22 GLN 60 2HE2 GLN 60 -14.589 10.250 -14.571 Start of MODEL 19 1 H1 GLY 1 1HT GLY 1 26.375 5.720 0.499 2 H2 GLY 1 2HT GLY 1 24.723 5.377 0.534 3 H3 GLY 1 3HT GLY 1 25.355 6.360 -0.688 4 HA2 GLY 1 1HA GLY 1 26.617 4.514 -1.564 5 HA3 GLY 1 2HA GLY 1 25.976 3.496 -0.280 6 H SER 2 H SER 2 24.488 2.138 -1.146 7 HA SER 2 HA SER 2 22.299 3.205 -2.784 8 HG SER 2 HG SER 2 22.061 0.386 -4.472 9 HB2 SER 2 2HB SER 2 23.988 2.426 -4.435 10 HB3 SER 2 1HB SER 2 24.024 0.840 -3.671 11 H GLU 3 H GLU 3 20.399 2.128 -2.484 12 HA GLU 3 HA GLU 3 20.294 -0.279 -0.825 13 HB2 GLU 3 2HB GLU 3 18.587 0.742 0.675 14 HB3 GLU 3 1HB GLU 3 20.142 1.557 0.808 15 HG2 GLU 3 2HG GLU 3 19.269 3.355 -0.700 16 HG3 GLU 3 1HG GLU 3 17.699 2.554 -0.691 17 H HIS 4 H HIS 4 18.780 -1.644 -1.518 18 HA HIS 4 HA HIS 4 16.547 -0.742 -3.270 19 HD1 HIS 4 1HD HIS 4 15.820 -1.440 -5.678 20 HD2 HIS 4 2HD HIS 4 16.275 -5.324 -4.275 21 HE1 HIS 4 1HE HIS 4 14.090 -2.799 -6.888 22 HE2 HIS 4 2HE HIS 4 14.387 -5.138 -6.028 23 HB2 HIS 4 2HB HIS 4 18.269 -2.185 -4.424 24 HB3 HIS 4 1HB HIS 4 17.979 -3.460 -3.249 25 H VAL 5 H VAL 5 16.405 -0.480 -0.592 26 HA VAL 5 HA VAL 5 15.593 -2.790 0.887 27 HB VAL 5 HB VAL 5 16.766 -0.936 1.993 28 HG11 VAL 5 1HG1 VAL 5 14.329 0.796 1.392 29 HG12 VAL 5 2HG1 VAL 5 15.912 0.940 0.623 30 HG13 VAL 5 3HG1 VAL 5 15.735 1.287 2.344 31 HG21 VAL 5 3HG2 VAL 5 13.931 -1.206 3.097 32 HG22 VAL 5 1HG2 VAL 5 15.340 -0.648 4.006 33 HG23 VAL 5 2HG2 VAL 5 15.271 -2.311 3.417 34 H PHE 6 H PHE 6 13.562 -3.554 1.256 35 HA PHE 6 HA PHE 6 11.231 -2.434 0.050 36 HD1 PHE 6 2HD PHE 6 13.498 -5.229 2.035 37 HD2 PHE 6 1HD PHE 6 9.443 -4.875 3.356 38 HE1 PHE 6 2HE PHE 6 14.086 -6.330 4.156 39 HE2 PHE 6 1HE PHE 6 10.043 -5.975 5.473 40 HZ PHE 6 HZ PHE 6 12.361 -6.701 5.870 41 HB2 PHE 6 2HB PHE 6 9.971 -4.237 1.141 42 HB3 PHE 6 1HB PHE 6 11.419 -4.883 0.397 43 H ALA 7 H ALA 7 10.647 -0.502 0.728 44 HA ALA 7 HA ALA 7 9.712 -0.080 3.466 45 HB1 ALA 7 1HB ALA 7 11.632 1.851 2.088 46 HB2 ALA 7 2HB ALA 7 12.004 0.858 3.496 47 HB3 ALA 7 3HB ALA 7 10.804 2.144 3.620 48 H VAL 8 H VAL 8 7.745 0.806 3.346 49 HA VAL 8 HA VAL 8 6.495 1.006 0.803 50 HB VAL 8 HB VAL 8 5.393 -0.010 2.731 51 HG11 VAL 8 1HG1 VAL 8 4.528 1.313 4.629 52 HG12 VAL 8 2HG1 VAL 8 5.275 2.770 3.972 53 HG13 VAL 8 3HG1 VAL 8 6.286 1.435 4.528 54 HG21 VAL 8 3HG2 VAL 8 3.153 0.986 2.441 55 HG22 VAL 8 1HG2 VAL 8 4.002 0.872 0.897 56 HG23 VAL 8 2HG2 VAL 8 3.876 2.425 1.720 57 H GLU 9 H GLU 9 5.449 2.729 -0.159 58 HA GLU 9 HA GLU 9 6.409 5.452 0.498 59 HB2 GLU 9 2HB GLU 9 7.362 4.645 -1.607 60 HB3 GLU 9 1HB GLU 9 5.776 4.191 -2.207 61 HG2 GLU 9 2HG GLU 9 6.540 6.224 -3.300 62 HG3 GLU 9 1HG GLU 9 5.119 6.567 -2.313 63 H SER 10 H SER 10 3.701 3.767 -1.210 64 HA SER 10 HA SER 10 1.698 5.330 0.198 65 HG SER 10 HG SER 10 2.631 7.230 -0.622 66 HB2 SER 10 2HB SER 10 2.067 5.667 -2.815 67 HB3 SER 10 1HB SER 10 0.637 6.207 -1.928 68 H ILE 11 H ILE 11 -0.525 4.771 -0.516 69 HA ILE 11 HA ILE 11 -0.835 1.932 -1.227 70 HB ILE 11 HB ILE 11 -2.790 3.963 -0.041 71 HG12 ILE 11 2HG1 ILE 11 -1.487 1.478 1.179 72 HG13 ILE 11 1HG1 ILE 11 -1.036 3.146 1.534 73 HG21 ILE 11 1HG2 ILE 11 -4.423 2.110 0.189 74 HG22 ILE 11 2HG2 ILE 11 -3.337 1.037 -0.694 75 HG23 ILE 11 3HG2 ILE 11 -4.046 2.433 -1.508 76 HD11 ILE 11 3HD1 ILE 11 -2.356 2.201 3.322 77 HD12 ILE 11 1HD1 ILE 11 -3.671 1.826 2.207 78 HD13 ILE 11 2HD1 ILE 11 -3.247 3.507 2.544 79 H GLU 12 H GLU 12 -1.345 1.440 -3.231 80 HA GLU 12 HA GLU 12 -1.896 3.400 -5.290 81 HB2 GLU 12 2HB GLU 12 -1.565 0.368 -5.554 82 HB3 GLU 12 1HB GLU 12 -1.431 1.565 -6.844 83 HG2 GLU 12 2HG GLU 12 0.477 1.247 -4.500 84 HG3 GLU 12 1HG GLU 12 0.755 0.653 -6.137 85 H LYS 13 H LYS 13 -3.293 0.319 -4.177 86 HA LYS 13 HA LYS 13 -5.914 1.011 -5.347 87 HB2 LYS 13 2HB LYS 13 -4.386 -1.612 -5.643 88 HB3 LYS 13 1HB LYS 13 -6.084 -1.415 -6.071 89 HG2 LYS 13 2HG LYS 13 -5.539 0.150 -7.835 90 HG3 LYS 13 1HG LYS 13 -3.854 0.229 -7.319 91 HD2 LYS 13 2HD LYS 13 -4.131 -1.150 -9.346 92 HD3 LYS 13 1HD LYS 13 -3.499 -2.096 -8.001 93 HE2 LYS 13 2HE LYS 13 -5.747 -3.035 -7.602 94 HE3 LYS 13 1HE LYS 13 -6.390 -2.071 -8.936 95 HZ1 LYS 13 3HZ LYS 13 -4.893 -3.246 -10.425 96 HZ2 LYS 13 1HZ LYS 13 -5.936 -4.314 -9.633 97 HZ3 LYS 13 2HZ LYS 13 -4.328 -4.186 -9.136 98 H LYS 14 H LYS 14 -7.667 -0.367 -4.537 99 HA LYS 14 HA LYS 14 -7.470 -1.029 -1.676 100 HB2 LYS 14 2HB LYS 14 -7.880 1.313 -1.529 101 HB3 LYS 14 1HB LYS 14 -8.925 1.324 -2.937 102 HG2 LYS 14 2HG LYS 14 -10.220 1.757 -0.932 103 HG3 LYS 14 1HG LYS 14 -10.713 0.224 -1.651 104 HD2 LYS 14 2HD LYS 14 -9.394 -0.997 0.052 105 HD3 LYS 14 1HD LYS 14 -8.885 0.542 0.752 106 HE2 LYS 14 2HE LYS 14 -11.746 -0.479 0.620 107 HE3 LYS 14 1HE LYS 14 -10.716 -0.469 2.050 108 HZ1 LYS 14 3HZ LYS 14 -12.257 1.395 2.015 109 HZ2 LYS 14 1HZ LYS 14 -11.596 1.946 0.564 110 HZ3 LYS 14 2HZ LYS 14 -10.658 1.931 1.966 111 H ARG 15 H ARG 15 -8.848 -2.627 -1.123 112 HA ARG 15 HA ARG 15 -11.556 -2.733 -2.059 113 HE ARG 15 HE ARG 15 -8.542 -4.449 -5.184 114 HB2 ARG 15 2HB ARG 15 -11.592 -5.048 -2.899 115 HB3 ARG 15 1HB ARG 15 -10.493 -4.089 -3.889 116 HG2 ARG 15 2HG ARG 15 -9.382 -5.690 -1.576 117 HG3 ARG 15 1HG ARG 15 -9.795 -6.521 -3.081 118 HD2 ARG 15 2HD ARG 15 -7.921 -4.128 -2.917 119 HD3 ARG 15 1HD ARG 15 -7.380 -5.813 -2.839 120 HH11 ARG 15 1HH1 ARG 15 -7.000 -7.326 -3.852 121 HH12 ARG 15 2HH1 ARG 15 -6.714 -8.036 -5.410 122 HH21 ARG 15 1HH2 ARG 15 -8.092 -5.379 -7.222 123 HH22 ARG 15 2HH2 ARG 15 -7.321 -6.930 -7.310 124 H ILE 16 H ILE 16 -12.868 -3.930 -0.661 125 HA ILE 16 HA ILE 16 -11.589 -5.481 1.520 126 HB ILE 16 HB ILE 16 -14.433 -4.374 1.280 127 HG12 ILE 16 2HG1 ILE 16 -12.203 -3.833 3.267 128 HG13 ILE 16 1HG1 ILE 16 -12.717 -2.728 1.996 129 HG21 ILE 16 1HG2 ILE 16 -14.910 -5.397 3.501 130 HG22 ILE 16 2HG2 ILE 16 -13.338 -6.193 3.478 131 HG23 ILE 16 3HG2 ILE 16 -14.559 -6.633 2.284 132 HD11 ILE 16 3HD1 ILE 16 -14.331 -3.583 4.405 133 HD12 ILE 16 1HD1 ILE 16 -14.909 -2.519 3.117 134 HD13 ILE 16 2HD1 ILE 16 -13.565 -2.017 4.142 135 H ARG 17 H ARG 17 -11.770 -7.647 1.441 136 HA ARG 17 HA ARG 17 -13.936 -8.895 -0.019 137 HE ARG 17 HE ARG 17 -14.296 -11.798 -3.516 138 HB2 ARG 17 2HB ARG 17 -11.802 -8.635 -1.556 139 HB3 ARG 17 1HB ARG 17 -11.123 -9.921 -0.570 140 HG2 ARG 17 2HG ARG 17 -12.069 -10.877 -2.587 141 HG3 ARG 17 1HG ARG 17 -13.033 -11.395 -1.198 142 HD2 ARG 17 2HD ARG 17 -14.670 -9.580 -1.710 143 HD3 ARG 17 1HD ARG 17 -13.733 -9.166 -3.146 144 HH11 ARG 17 1HH1 ARG 17 -16.358 -9.056 -2.746 145 HH12 ARG 17 2HH1 ARG 17 -17.713 -9.676 -3.627 146 HH21 ARG 17 1HH2 ARG 17 -16.101 -12.597 -4.659 147 HH22 ARG 17 2HH2 ARG 17 -17.567 -11.677 -4.715 148 H LYS 18 H LYS 18 -14.662 -10.707 0.984 149 HA LYS 18 HA LYS 18 -15.061 -12.214 2.615 150 HB2 LYS 18 2HB LYS 18 -12.021 -12.416 2.542 151 HB3 LYS 18 1HB LYS 18 -13.005 -13.462 3.559 152 HG2 LYS 18 2HG LYS 18 -13.278 -13.280 0.535 153 HG3 LYS 18 1HG LYS 18 -12.292 -14.485 1.379 154 HD2 LYS 18 2HD LYS 18 -14.268 -15.410 2.473 155 HD3 LYS 18 1HD LYS 18 -15.291 -14.132 1.808 156 HE2 LYS 18 2HE LYS 18 -13.826 -16.218 0.150 157 HE3 LYS 18 1HE LYS 18 -15.530 -16.287 0.607 158 HZ1 LYS 18 3HZ LYS 18 -14.270 -14.166 -1.048 159 HZ2 LYS 18 1HZ LYS 18 -15.897 -14.218 -0.588 160 HZ3 LYS 18 2HZ LYS 18 -15.271 -15.405 -1.609 161 H GLY 19 H GLY 19 -15.021 -9.464 3.295 162 HA2 GLY 19 2HA GLY 19 -15.227 -8.078 5.106 163 HA3 GLY 19 1HA GLY 19 -15.141 -9.511 6.116 164 H ARG 20 H ARG 20 -12.561 -8.723 3.933 165 HA ARG 20 HA ARG 20 -10.802 -7.767 6.099 166 HE ARG 20 HE ARG 20 -11.414 -12.629 5.562 167 HB2 ARG 20 2HB ARG 20 -10.336 -10.145 4.254 168 HB3 ARG 20 1HB ARG 20 -8.998 -9.305 5.035 169 HG2 ARG 20 2HG ARG 20 -9.789 -9.900 7.234 170 HG3 ARG 20 1HG ARG 20 -11.305 -10.531 6.585 171 HD2 ARG 20 2HD ARG 20 -8.624 -11.720 5.821 172 HD3 ARG 20 1HD ARG 20 -9.488 -12.222 7.275 173 HH11 ARG 20 1HH1 ARG 20 -8.036 -13.190 4.845 174 HH12 ARG 20 2HH1 ARG 20 -8.344 -14.653 3.972 175 HH21 ARG 20 1HH2 ARG 20 -11.800 -14.538 4.426 176 HH22 ARG 20 2HH2 ARG 20 -10.478 -15.422 3.737 177 H VAL 21 H VAL 21 -9.852 -5.949 5.506 178 HA VAL 21 HA VAL 21 -9.900 -5.055 2.735 179 HB VAL 21 HB VAL 21 -10.662 -3.566 4.596 180 HG11 VAL 21 1HG1 VAL 21 -7.735 -3.442 5.413 181 HG12 VAL 21 2HG1 VAL 21 -9.045 -4.171 6.344 182 HG13 VAL 21 3HG1 VAL 21 -9.029 -2.429 6.061 183 HG21 VAL 21 3HG2 VAL 21 -10.005 -2.602 2.445 184 HG22 VAL 21 1HG2 VAL 21 -8.323 -2.498 2.980 185 HG23 VAL 21 2HG2 VAL 21 -9.561 -1.513 3.763 186 H GLU 22 H GLU 22 -8.099 -4.568 1.502 187 HA GLU 22 HA GLU 22 -5.397 -5.016 2.554 188 HB2 GLU 22 2HB GLU 22 -4.840 -6.457 0.540 189 HB3 GLU 22 1HB GLU 22 -5.910 -7.222 1.711 190 HG2 GLU 22 2HG GLU 22 -7.844 -6.801 0.312 191 HG3 GLU 22 1HG GLU 22 -6.863 -5.875 -0.828 192 H TYR 23 H TYR 23 -3.761 -4.134 1.209 193 HA TYR 23 HA TYR 23 -4.625 -1.947 -0.587 194 HD1 TYR 23 2HD TYR 23 -5.980 -0.358 0.509 195 HD2 TYR 23 1HD TYR 23 -3.566 -1.401 3.872 196 HE1 TYR 23 2HE TYR 23 -7.777 0.280 2.034 197 HE2 TYR 23 1HE TYR 23 -5.388 -0.770 5.389 198 HH TYR 23 HH TYR 23 -7.367 0.717 5.345 199 HB2 TYR 23 2HB TYR 23 -2.652 -1.655 1.732 200 HB3 TYR 23 1HB TYR 23 -3.166 -0.381 0.628 201 H LEU 24 H LEU 24 -3.290 -1.696 -2.318 202 HA LEU 24 HA LEU 24 -0.964 -3.441 -2.633 203 HG LEU 24 HG LEU 24 0.141 -2.117 -5.246 204 HB2 LEU 24 2HB LEU 24 -2.643 -3.065 -4.475 205 HB3 LEU 24 1HB LEU 24 -2.135 -1.387 -4.560 206 HD11 LEU 24 1HD1 LEU 24 0.240 -4.292 -4.145 207 HD12 LEU 24 2HD1 LEU 24 0.589 -4.447 -5.863 208 HD13 LEU 24 3HD1 LEU 24 -0.991 -4.929 -5.240 209 HD21 LEU 24 3HD2 LEU 24 -2.061 -3.253 -6.993 210 HD22 LEU 24 1HD2 LEU 24 -0.418 -2.859 -7.512 211 HD23 LEU 24 2HD2 LEU 24 -1.501 -1.577 -6.975 212 H VAL 25 H VAL 25 0.870 -2.720 -1.666 213 HA VAL 25 HA VAL 25 1.277 0.156 -1.246 214 HB VAL 25 HB VAL 25 3.007 -0.498 0.371 215 HG11 VAL 25 1HG1 VAL 25 0.678 -0.291 1.134 216 HG12 VAL 25 2HG1 VAL 25 1.529 -1.530 2.057 217 HG13 VAL 25 3HG1 VAL 25 0.397 -2.003 0.787 218 HG21 VAL 25 3HG2 VAL 25 3.391 -2.859 1.001 219 HG22 VAL 25 1HG2 VAL 25 3.863 -2.552 -0.671 220 HG23 VAL 25 2HG2 VAL 25 2.347 -3.385 -0.323 221 H LYS 26 H LYS 26 2.483 1.259 -2.600 222 HA LYS 26 HA LYS 26 4.399 0.155 -4.423 223 HB2 LYS 26 2HB LYS 26 3.132 2.249 -4.893 224 HB3 LYS 26 1HB LYS 26 3.928 3.039 -3.541 225 HG2 LYS 26 2HG LYS 26 4.909 3.711 -5.686 226 HG3 LYS 26 1HG LYS 26 6.089 2.873 -4.670 227 HD2 LYS 26 2HD LYS 26 5.731 0.787 -5.979 228 HD3 LYS 26 1HD LYS 26 4.549 1.623 -6.994 229 HE2 LYS 26 2HE LYS 26 6.734 1.462 -8.113 230 HE3 LYS 26 1HE LYS 26 6.313 3.146 -7.801 231 HZ1 LYS 26 3HZ LYS 26 8.161 1.503 -6.150 232 HZ2 LYS 26 1HZ LYS 26 7.780 3.124 -5.900 233 HZ3 LYS 26 2HZ LYS 26 8.626 2.671 -7.283 234 H TRP 27 H TRP 27 6.203 -0.756 -3.523 235 HA TRP 27 HA TRP 27 7.594 0.338 -1.230 236 HD1 TRP 27 HD TRP 27 6.313 -3.391 -3.170 237 HE1 TRP 27 1HE TRP 27 5.188 -4.780 -1.325 238 HE3 TRP 27 3HE TRP 27 8.639 -1.396 0.885 239 HZ2 TRP 27 2HZ TRP 27 5.270 -5.003 1.492 240 HZ3 TRP 27 3HZ TRP 27 8.082 -2.230 3.116 241 HH2 TRP 27 HH TRP 27 6.431 -3.993 3.419 242 HB2 TRP 27 2HB TRP 27 8.449 -1.837 -3.200 243 HB3 TRP 27 1HB TRP 27 9.228 -1.487 -1.663 244 H ARG 28 H ARG 28 9.521 1.511 -1.277 245 HA ARG 28 HA ARG 28 10.313 2.865 -3.697 246 HE ARG 28 HE ARG 28 13.656 4.543 -1.396 247 HB2 ARG 28 2HB ARG 28 12.034 3.971 -2.331 248 HB3 ARG 28 1HB ARG 28 10.472 4.043 -1.528 249 HG2 ARG 28 2HG ARG 28 11.135 2.332 0.060 250 HG3 ARG 28 1HG ARG 28 12.631 2.024 -0.823 251 HD2 ARG 28 2HD ARG 28 11.933 4.638 0.575 252 HD3 ARG 28 1HD ARG 28 13.003 3.381 1.219 253 HH11 ARG 28 1HH1 ARG 28 14.459 4.405 2.025 254 HH12 ARG 28 2HH1 ARG 28 16.031 5.091 1.786 255 HH21 ARG 28 1HH2 ARG 28 15.714 5.463 -1.656 256 HH22 ARG 28 2HH2 ARG 28 16.739 5.685 -0.266 257 H GLY 29 H GLY 29 12.159 2.491 -4.931 258 HA2 GLY 29 2HA GLY 29 14.083 1.378 -5.671 259 HA3 GLY 29 1HA GLY 29 13.953 0.244 -4.337 260 H TRP 30 H TRP 30 11.257 -0.453 -4.706 261 HA TRP 30 HA TRP 30 11.425 -2.340 -6.920 262 HD1 TRP 30 HD TRP 30 11.226 -1.911 -2.711 263 HE1 TRP 30 1HE TRP 30 12.735 -3.733 -1.704 264 HE3 TRP 30 3HE TRP 30 10.753 -5.445 -6.368 265 HZ2 TRP 30 2HZ TRP 30 13.606 -6.338 -2.376 266 HZ3 TRP 30 3HZ TRP 30 11.951 -7.561 -6.128 267 HH2 TRP 30 HH TRP 30 13.354 -8.013 -4.165 268 HB2 TRP 30 2HB TRP 30 9.336 -2.031 -4.709 269 HB3 TRP 30 1HB TRP 30 9.460 -3.379 -5.830 270 H SER 31 H SER 31 10.065 -2.301 -8.711 271 HA SER 31 HA SER 31 8.836 0.223 -9.412 272 HG SER 31 HG SER 31 10.722 -0.295 -10.868 273 HB2 SER 31 2HB SER 31 8.835 -2.423 -10.936 274 HB3 SER 31 1HB SER 31 8.522 -0.825 -11.614 275 HA PRO 32 HA PRO 32 4.528 -0.797 -8.402 276 HB2 PRO 32 2HB PRO 32 3.008 0.167 -10.432 277 HB3 PRO 32 1HB PRO 32 3.919 1.242 -9.358 278 HG2 PRO 32 2HG PRO 32 4.664 0.233 -12.110 279 HG3 PRO 32 1HG PRO 32 4.734 1.895 -11.482 280 HD2 PRO 32 2HD PRO 32 6.928 0.278 -11.598 281 HD3 PRO 32 1HD PRO 32 6.731 1.503 -10.324 282 H LYS 33 H LYS 33 6.056 -2.453 -10.862 283 HA LYS 33 HA LYS 33 3.932 -4.485 -11.093 284 HB2 LYS 33 2HB LYS 33 5.553 -5.566 -12.730 285 HB3 LYS 33 1HB LYS 33 4.911 -3.997 -13.210 286 HG2 LYS 33 2HG LYS 33 7.032 -2.925 -12.492 287 HG3 LYS 33 1HG LYS 33 7.673 -4.512 -12.054 288 HD2 LYS 33 2HD LYS 33 8.496 -3.757 -14.267 289 HD3 LYS 33 1HD LYS 33 7.553 -5.244 -14.392 290 HE2 LYS 33 2HE LYS 33 5.586 -3.916 -15.154 291 HE3 LYS 33 1HE LYS 33 6.546 -2.437 -15.039 292 HZ1 LYS 33 3HZ LYS 33 7.134 -4.739 -16.811 293 HZ2 LYS 33 1HZ LYS 33 8.013 -3.297 -16.727 294 HZ3 LYS 33 2HZ LYS 33 6.425 -3.283 -17.292 295 H TYR 34 H TYR 34 6.330 -3.696 -8.960 296 HA TYR 34 HA TYR 34 6.767 -6.491 -8.052 297 HD1 TYR 34 2HD TYR 34 9.167 -7.742 -8.500 298 HD2 TYR 34 1HD TYR 34 9.452 -3.779 -10.018 299 HE1 TYR 34 2HE TYR 34 10.359 -8.587 -10.470 300 HE2 TYR 34 1HE TYR 34 10.639 -4.608 -12.005 301 HH TYR 34 HH TYR 34 10.773 -7.891 -12.823 302 HB2 TYR 34 2HB TYR 34 8.659 -4.099 -7.805 303 HB3 TYR 34 1HB TYR 34 8.912 -5.653 -7.013 304 H ASN 35 H ASN 35 4.833 -4.074 -7.445 305 HA ASN 35 HA ASN 35 5.245 -3.630 -4.594 306 HB2 ASN 35 2HB ASN 35 3.290 -2.118 -4.802 307 HB3 ASN 35 1HB ASN 35 4.522 -1.748 -5.996 308 HD21 ASN 35 1HD2 ASN 35 2.050 -0.749 -6.315 309 HD22 ASN 35 2HD2 ASN 35 1.259 -1.514 -7.646 310 H THR 36 H THR 36 3.860 -4.454 -2.926 311 HA THR 36 HA THR 36 2.479 -6.976 -3.705 312 HB THR 36 HB THR 36 3.112 -7.901 -1.514 313 HG1 THR 36 1HG THR 36 3.305 -6.348 -0.055 314 HG21 THR 36 3HG2 THR 36 5.565 -8.014 -1.765 315 HG22 THR 36 1HG2 THR 36 5.526 -6.629 -2.856 316 HG23 THR 36 2HG2 THR 36 4.775 -8.153 -3.340 317 H TRP 37 H TRP 37 0.653 -7.673 -2.422 318 HA TRP 37 HA TRP 37 -1.074 -5.521 -1.461 319 HD1 TRP 37 HD TRP 37 -1.264 -8.418 -4.578 320 HE1 TRP 37 1HE TRP 37 -2.507 -7.138 -6.431 321 HE3 TRP 37 3HE TRP 37 -3.970 -5.179 -1.678 322 HZ2 TRP 37 2HZ TRP 37 -4.351 -5.018 -6.645 323 HZ3 TRP 37 3HZ TRP 37 -5.434 -3.546 -2.785 324 HH2 TRP 37 HH TRP 37 -5.625 -3.473 -5.223 325 HB2 TRP 37 2HB TRP 37 -1.540 -8.505 -1.915 326 HB3 TRP 37 1HB TRP 37 -2.757 -7.446 -1.210 327 H GLU 38 H GLU 38 -0.531 -4.849 0.520 328 HA GLU 38 HA GLU 38 -0.122 -6.779 2.715 329 HB2 GLU 38 2HB GLU 38 0.439 -3.783 2.676 330 HB3 GLU 38 1HB GLU 38 0.831 -4.898 3.981 331 HG2 GLU 38 2HG GLU 38 2.054 -4.866 1.206 332 HG3 GLU 38 1HG GLU 38 2.810 -4.293 2.685 333 HA PRO 39 HA PRO 39 -4.283 -5.631 4.160 334 HB2 PRO 39 2HB PRO 39 -4.121 -6.822 6.650 335 HB3 PRO 39 1HB PRO 39 -4.453 -7.708 5.159 336 HG2 PRO 39 2HG PRO 39 -1.842 -7.378 6.626 337 HG3 PRO 39 1HG PRO 39 -2.542 -8.846 5.907 338 HD2 PRO 39 2HD PRO 39 -0.605 -7.426 4.646 339 HD3 PRO 39 1HD PRO 39 -1.901 -8.248 3.745 340 H GLU 40 H GLU 40 -5.164 -4.666 6.297 341 HA GLU 40 HA GLU 40 -4.030 -2.079 6.588 342 HB2 GLU 40 2HB GLU 40 -6.457 -2.546 6.743 343 HB3 GLU 40 1HB GLU 40 -6.200 -3.459 8.221 344 HG2 GLU 40 2HG GLU 40 -5.465 -1.380 9.367 345 HG3 GLU 40 1HG GLU 40 -5.740 -0.475 7.878 346 H GLU 41 H GLU 41 -3.785 -5.000 8.494 347 HA GLU 41 HA GLU 41 -2.673 -3.980 10.900 348 HB2 GLU 41 2HB GLU 41 -1.979 -6.355 11.301 349 HB3 GLU 41 1HB GLU 41 -3.668 -6.208 10.827 350 HG2 GLU 41 2HG GLU 41 -3.035 -6.846 8.497 351 HG3 GLU 41 1HG GLU 41 -1.371 -7.071 9.035 352 H ASN 42 H ASN 42 -1.269 -4.729 7.761 353 HA ASN 42 HA ASN 42 1.504 -4.457 8.659 354 HB2 ASN 42 2HB ASN 42 0.303 -4.848 5.885 355 HB3 ASN 42 1HB ASN 42 2.034 -4.703 6.189 356 HD21 ASN 42 1HD2 ASN 42 2.354 -6.768 5.320 357 HD22 ASN 42 2HD2 ASN 42 1.943 -8.209 6.175 358 H ILE 43 H ILE 43 -1.017 -2.408 7.583 359 HA ILE 43 HA ILE 43 0.726 -0.177 6.817 360 HB ILE 43 HB ILE 43 -2.324 -0.269 7.017 361 HG12 ILE 43 2HG1 ILE 43 -1.584 -1.833 5.300 362 HG13 ILE 43 1HG1 ILE 43 -2.273 -0.419 4.522 363 HG21 ILE 43 1HG2 ILE 43 -2.287 1.801 5.650 364 HG22 ILE 43 2HG2 ILE 43 -0.524 1.822 5.725 365 HG23 ILE 43 3HG2 ILE 43 -1.472 2.029 7.198 366 HD11 ILE 43 3HD1 ILE 43 -0.325 -1.214 3.349 367 HD12 ILE 43 1HD1 ILE 43 0.665 -1.025 4.796 368 HD13 ILE 43 2HD1 ILE 43 -0.028 0.394 4.005 369 H LEU 44 H LEU 44 1.788 0.050 8.781 370 HA LEU 44 HA LEU 44 0.236 0.989 11.127 371 HG LEU 44 HG LEU 44 2.257 1.117 13.274 372 HB2 LEU 44 2HB LEU 44 1.818 -1.096 11.226 373 HB3 LEU 44 1HB LEU 44 3.137 0.061 11.159 374 HD11 LEU 44 1HD1 LEU 44 -0.095 0.487 13.092 375 HD12 LEU 44 2HD1 LEU 44 0.575 -0.087 14.617 376 HD13 LEU 44 3HD1 LEU 44 0.319 -1.221 13.288 377 HD21 LEU 44 3HD2 LEU 44 3.040 -0.653 14.793 378 HD22 LEU 44 1HD2 LEU 44 4.080 -0.518 13.374 379 HD23 LEU 44 2HD2 LEU 44 2.917 -1.840 13.491 380 H ASP 45 H ASP 45 1.133 2.479 8.655 381 HA ASP 45 HA ASP 45 2.784 4.610 9.877 382 HB2 ASP 45 2HB ASP 45 4.015 3.411 8.113 383 HB3 ASP 45 1HB ASP 45 2.701 3.665 6.975 384 HA PRO 46 HA PRO 46 -1.012 6.975 9.287 385 HB2 PRO 46 2HB PRO 46 -0.118 9.451 9.990 386 HB3 PRO 46 1HB PRO 46 -0.325 8.154 11.179 387 HG2 PRO 46 2HG PRO 46 2.198 9.036 9.755 388 HG3 PRO 46 1HG PRO 46 1.956 8.739 11.491 389 HD2 PRO 46 2HD PRO 46 3.081 6.879 9.867 390 HD3 PRO 46 1HD PRO 46 2.033 6.408 11.229 391 H ARG 47 H ARG 47 1.952 7.754 7.540 392 HA ARG 47 HA ARG 47 0.911 9.927 5.960 393 HE ARG 47 HE ARG 47 3.898 11.752 5.099 394 HB2 ARG 47 2HB ARG 47 3.363 8.192 5.458 395 HB3 ARG 47 1HB ARG 47 3.038 9.766 4.734 396 HG2 ARG 47 2HG ARG 47 3.499 9.266 7.701 397 HG3 ARG 47 1HG ARG 47 4.728 9.836 6.563 398 HD2 ARG 47 2HD ARG 47 2.161 11.285 7.315 399 HD3 ARG 47 1HD ARG 47 3.791 11.708 7.851 400 HH11 ARG 47 1HH1 ARG 47 2.030 13.504 7.517 401 HH12 ARG 47 2HH1 ARG 47 1.828 14.900 6.505 402 HH21 ARG 47 1HH2 ARG 47 3.630 13.593 3.814 403 HH22 ARG 47 2HH2 ARG 47 2.728 14.948 4.415 404 H LEU 48 H LEU 48 1.176 6.441 5.599 405 HA LEU 48 HA LEU 48 0.440 6.159 2.876 406 HG LEU 48 HG LEU 48 2.202 4.522 5.154 407 HB2 LEU 48 2HB LEU 48 -0.210 4.283 5.182 408 HB3 LEU 48 1HB LEU 48 -0.239 3.866 3.469 409 HD11 LEU 48 1HD1 LEU 48 1.284 2.298 5.552 410 HD12 LEU 48 2HD1 LEU 48 2.846 2.211 4.748 411 HD13 LEU 48 3HD1 LEU 48 1.369 1.928 3.825 412 HD21 LEU 48 3HD2 LEU 48 2.537 5.470 2.941 413 HD22 LEU 48 1HD2 LEU 48 2.084 3.943 2.175 414 HD23 LEU 48 2HD2 LEU 48 3.554 4.049 3.148 415 H LEU 49 H LEU 49 -1.418 6.455 5.866 416 HA LEU 49 HA LEU 49 -4.007 5.899 4.817 417 HG LEU 49 HG LEU 49 -2.328 5.172 7.485 418 HB2 LEU 49 2HB LEU 49 -3.231 7.464 7.311 419 HB3 LEU 49 1HB LEU 49 -4.838 6.828 6.965 420 HD11 LEU 49 1HD1 LEU 49 -3.169 6.234 9.508 421 HD12 LEU 49 2HD1 LEU 49 -3.441 4.495 9.562 422 HD13 LEU 49 3HD1 LEU 49 -4.787 5.585 9.214 423 HD21 LEU 49 3HD2 LEU 49 -3.822 3.203 7.441 424 HD22 LEU 49 1HD2 LEU 49 -3.764 4.023 5.880 425 HD23 LEU 49 2HD2 LEU 49 -5.167 4.228 6.932 426 H ILE 50 H ILE 50 -2.120 8.876 5.209 427 HA ILE 50 HA ILE 50 -4.147 10.740 4.488 428 HB ILE 50 HB ILE 50 -1.133 10.971 4.051 429 HG12 ILE 50 2HG1 ILE 50 -2.791 11.921 6.435 430 HG13 ILE 50 1HG1 ILE 50 -1.772 10.486 6.433 431 HG21 ILE 50 1HG2 ILE 50 -2.367 12.661 2.746 432 HG22 ILE 50 2HG2 ILE 50 -1.486 13.421 4.070 433 HG23 ILE 50 3HG2 ILE 50 -3.228 13.179 4.201 434 HD11 ILE 50 3HD1 ILE 50 -0.686 12.335 7.549 435 HD12 ILE 50 1HD1 ILE 50 -0.822 13.331 6.099 436 HD13 ILE 50 2HD1 ILE 50 0.204 11.893 6.093 437 H ALA 51 H ALA 51 -1.616 9.091 2.581 438 HA ALA 51 HA ALA 51 -2.273 10.155 0.030 439 HB1 ALA 51 1HB ALA 51 -0.844 7.556 0.704 440 HB2 ALA 51 2HB ALA 51 -0.081 9.136 0.533 441 HB3 ALA 51 3HB ALA 51 -0.826 8.369 -0.869 442 H PHE 52 H PHE 52 -3.434 7.419 1.839 443 HA PHE 52 HA PHE 52 -4.848 5.978 -0.146 444 HD1 PHE 52 1HD PHE 52 -6.023 3.815 0.094 445 HD2 PHE 52 2HD PHE 52 -6.816 5.270 4.038 446 HE1 PHE 52 1HE PHE 52 -7.971 2.346 0.257 447 HE2 PHE 52 2HE PHE 52 -8.768 3.786 4.188 448 HZ PHE 52 HZ PHE 52 -9.343 2.324 2.297 449 HB2 PHE 52 2HB PHE 52 -4.193 4.904 1.909 450 HB3 PHE 52 1HB PHE 52 -4.997 6.121 2.885 451 H GLN 53 H GLN 53 -5.912 8.337 2.327 452 HA GLN 53 HA GLN 53 -8.659 8.414 1.579 453 HB2 GLN 53 2HB GLN 53 -6.968 10.397 3.156 454 HB3 GLN 53 1HB GLN 53 -8.719 10.531 2.971 455 HG2 GLN 53 2HG GLN 53 -9.045 8.412 4.123 456 HG3 GLN 53 1HG GLN 53 -7.302 8.166 4.235 457 HE21 GLN 53 1HE2 GLN 53 -7.320 8.065 6.474 458 HE22 GLN 53 2HE2 GLN 53 -7.608 9.439 7.478 459 H ASN 54 H ASN 54 -5.827 10.279 0.588 460 HA ASN 54 HA ASN 54 -7.162 12.220 -1.030 461 HB2 ASN 54 2HB ASN 54 -4.293 11.185 -1.144 462 HB3 ASN 54 1HB ASN 54 -4.886 12.529 -2.121 463 HD21 ASN 54 1HD2 ASN 54 -2.793 12.443 -0.054 464 HD22 ASN 54 2HD2 ASN 54 -3.242 13.628 1.116 465 H ARG 55 H ARG 55 -5.897 8.961 -1.644 466 HA ARG 55 HA ARG 55 -6.099 8.975 -4.487 467 HE ARG 55 HE ARG 55 -5.044 4.795 -6.839 468 HB2 ARG 55 2HB ARG 55 -4.787 7.340 -2.862 469 HB3 ARG 55 1HB ARG 55 -6.281 6.423 -2.832 470 HG2 ARG 55 2HG ARG 55 -4.705 7.082 -5.355 471 HG3 ARG 55 1HG ARG 55 -4.550 5.574 -4.452 472 HD2 ARG 55 2HD ARG 55 -6.856 4.983 -4.971 473 HD3 ARG 55 1HD ARG 55 -7.127 6.551 -5.737 474 HH11 ARG 55 1HH1 ARG 55 -8.233 6.235 -7.251 475 HH12 ARG 55 2HH1 ARG 55 -8.341 5.792 -8.921 476 HH21 ARG 55 1HH2 ARG 55 -5.219 4.234 -9.021 477 HH22 ARG 55 2HH2 ARG 55 -6.635 4.661 -9.923 478 H GLU 56 H GLU 56 -8.256 7.863 -1.870 479 HA GLU 56 HA GLU 56 -10.370 6.953 -3.593 480 HB2 GLU 56 2HB GLU 56 -10.432 7.620 -0.615 481 HB3 GLU 56 1HB GLU 56 -11.722 6.800 -1.500 482 HG2 GLU 56 2HG GLU 56 -10.008 5.007 -2.071 483 HG3 GLU 56 1HG GLU 56 -8.936 5.776 -0.900 484 H ARG 57 H ARG 57 -9.558 10.017 -2.053 485 HA ARG 57 HA ARG 57 -11.993 11.394 -2.574 486 HE ARG 57 HE ARG 57 -10.577 16.790 -2.879 487 HB2 ARG 57 2HB ARG 57 -10.343 12.192 -0.916 488 HB3 ARG 57 1HB ARG 57 -9.159 12.468 -2.182 489 HG2 ARG 57 2HG ARG 57 -11.790 13.947 -2.297 490 HG3 ARG 57 1HG ARG 57 -10.577 14.470 -1.130 491 HD2 ARG 57 2HD ARG 57 -9.017 15.017 -2.861 492 HD3 ARG 57 1HD ARG 57 -9.961 14.174 -4.090 493 HH11 ARG 57 1HH1 ARG 57 -11.358 14.361 -5.303 494 HH12 ARG 57 2HH1 ARG 57 -12.472 15.392 -6.147 495 HH21 ARG 57 1HH2 ARG 57 -12.051 18.114 -4.010 496 HH22 ARG 57 2HH2 ARG 57 -12.857 17.500 -5.417 497 H GLN 58 H GLN 58 -9.127 10.691 -4.507 498 HA GLN 58 HA GLN 58 -9.582 12.447 -6.672 499 HB2 GLN 58 2HB GLN 58 -8.167 9.756 -6.558 500 HB3 GLN 58 1HB GLN 58 -8.219 10.737 -8.017 501 HG2 GLN 58 2HG GLN 58 -7.086 11.744 -5.395 502 HG3 GLN 58 1HG GLN 58 -6.116 10.927 -6.617 503 HE21 GLN 58 1HE2 GLN 58 -4.832 12.826 -6.746 504 HE22 GLN 58 2HE2 GLN 58 -5.365 14.225 -7.607 505 H GLU 59 H GLU 59 -10.980 12.445 -8.243 506 HA GLU 59 HA GLU 59 -13.151 10.496 -8.346 507 HB2 GLU 59 2HB GLU 59 -12.746 13.188 -9.723 508 HB3 GLU 59 1HB GLU 59 -14.237 12.247 -9.737 509 HG2 GLU 59 2HG GLU 59 -14.583 12.588 -7.386 510 HG3 GLU 59 1HG GLU 59 -12.966 13.263 -7.177 511 H GLN 60 H GLN 60 -10.376 9.997 -9.472 512 HA GLN 60 HA GLN 60 -11.121 8.985 -12.082 513 HB2 GLN 60 2HB GLN 60 -8.981 9.997 -13.101 514 HB3 GLN 60 1HB GLN 60 -10.329 11.087 -12.835 515 HG2 GLN 60 2HG GLN 60 -8.432 12.331 -12.197 516 HG3 GLN 60 1HG GLN 60 -9.160 11.821 -10.680 517 HE21 GLN 60 1HE2 GLN 60 -7.197 12.181 -9.608 518 HE22 GLN 60 2HE2 GLN 60 -5.847 11.113 -9.754 Start of MODEL 20 1 H1 GLY 1 1HT GLY 1 21.975 1.396 4.944 2 H2 GLY 1 2HT GLY 1 20.615 0.392 4.904 3 H3 GLY 1 3HT GLY 1 20.449 2.022 5.310 4 HA2 GLY 1 1HA GLY 1 19.705 1.663 3.065 5 HA3 GLY 1 2HA GLY 1 21.132 2.687 3.110 6 H SER 2 H SER 2 19.886 0.602 1.167 7 HA SER 2 HA SER 2 22.349 -0.235 -0.034 8 HG SER 2 HG SER 2 20.043 -2.624 1.973 9 HB2 SER 2 2HB SER 2 21.992 -2.666 0.040 10 HB3 SER 2 1HB SER 2 22.044 -2.051 1.692 11 H GLU 3 H GLU 3 21.841 -1.547 -2.079 12 HA GLU 3 HA GLU 3 19.666 -0.315 -3.542 13 HB2 GLU 3 2HB GLU 3 21.613 -2.498 -4.393 14 HB3 GLU 3 1HB GLU 3 20.561 -1.586 -5.467 15 HG2 GLU 3 2HG GLU 3 22.857 -0.448 -3.848 16 HG3 GLU 3 1HG GLU 3 22.900 -0.812 -5.567 17 H HIS 4 H HIS 4 19.411 -2.661 -1.341 18 HA HIS 4 HA HIS 4 17.375 -4.249 -2.799 19 HD1 HIS 4 1HD HIS 4 21.557 -5.452 -2.218 20 HD2 HIS 4 2HD HIS 4 18.119 -6.633 -4.241 21 HE1 HIS 4 1HE HIS 4 22.353 -6.374 -4.424 22 HE2 HIS 4 2HE HIS 4 20.271 -7.251 -5.537 23 HB2 HIS 4 2HB HIS 4 19.493 -5.195 -0.807 24 HB3 HIS 4 1HB HIS 4 18.119 -6.176 -1.309 25 H VAL 5 H VAL 5 17.434 -1.843 -0.735 26 HA VAL 5 HA VAL 5 16.131 -2.920 1.600 27 HB VAL 5 HB VAL 5 15.604 -0.537 2.207 28 HG11 VAL 5 1HG1 VAL 5 18.503 -1.027 1.432 29 HG12 VAL 5 2HG1 VAL 5 17.726 -1.573 2.921 30 HG13 VAL 5 3HG1 VAL 5 17.933 0.152 2.616 31 HG21 VAL 5 3HG2 VAL 5 15.341 0.456 -0.045 32 HG22 VAL 5 1HG2 VAL 5 17.055 0.183 -0.379 33 HG23 VAL 5 2HG2 VAL 5 16.569 1.330 0.872 34 H PHE 6 H PHE 6 14.076 -3.582 1.734 35 HA PHE 6 HA PHE 6 12.028 -2.734 -0.163 36 HD1 PHE 6 2HD PHE 6 13.867 -5.903 1.306 37 HD2 PHE 6 1HD PHE 6 10.293 -5.335 -0.985 38 HE1 PHE 6 2HE PHE 6 14.540 -7.725 -0.203 39 HE2 PHE 6 1HE PHE 6 10.980 -7.163 -2.491 40 HZ PHE 6 HZ PHE 6 13.099 -8.361 -2.100 41 HB2 PHE 6 2HB PHE 6 11.896 -4.627 2.225 42 HB3 PHE 6 1HB PHE 6 10.530 -4.266 1.178 43 H ALA 7 H ALA 7 11.896 -0.539 0.297 44 HA ALA 7 HA ALA 7 10.822 0.303 2.931 45 HB1 ALA 7 1HB ALA 7 11.680 2.567 2.345 46 HB2 ALA 7 2HB ALA 7 12.305 1.938 0.816 47 HB3 ALA 7 3HB ALA 7 12.977 1.370 2.346 48 H VAL 8 H VAL 8 8.757 1.084 2.935 49 HA VAL 8 HA VAL 8 7.229 0.871 0.475 50 HB VAL 8 HB VAL 8 6.353 -0.074 2.578 51 HG11 VAL 8 1HG1 VAL 8 5.441 1.348 4.377 52 HG12 VAL 8 2HG1 VAL 8 6.075 2.782 3.569 53 HG13 VAL 8 3HG1 VAL 8 7.187 1.568 4.204 54 HG21 VAL 8 3HG2 VAL 8 4.587 2.128 1.449 55 HG22 VAL 8 1HG2 VAL 8 4.017 0.750 2.393 56 HG23 VAL 8 2HG2 VAL 8 4.750 0.493 0.805 57 H GLU 9 H GLU 9 5.968 2.497 -0.435 58 HA GLU 9 HA GLU 9 7.013 5.231 -0.207 59 HB2 GLU 9 2HB GLU 9 7.254 4.127 -2.413 60 HB3 GLU 9 1HB GLU 9 5.526 3.827 -2.464 61 HG2 GLU 9 2HG GLU 9 5.991 5.661 -3.917 62 HG3 GLU 9 1HG GLU 9 5.150 6.306 -2.510 63 H SER 10 H SER 10 3.939 3.558 -0.994 64 HA SER 10 HA SER 10 2.255 5.177 0.632 65 HG SER 10 HG SER 10 0.286 6.186 -1.744 66 HB2 SER 10 2HB SER 10 2.912 6.896 -1.043 67 HB3 SER 10 1HB SER 10 2.352 5.852 -2.349 68 H ILE 11 H ILE 11 0.008 4.617 0.413 69 HA ILE 11 HA ILE 11 -0.662 2.103 -0.857 70 HB ILE 11 HB ILE 11 -2.416 4.206 0.503 71 HG12 ILE 11 2HG1 ILE 11 -1.530 1.460 1.498 72 HG13 ILE 11 1HG1 ILE 11 -0.795 2.980 1.993 73 HG21 ILE 11 1HG2 ILE 11 -3.244 1.439 -0.468 74 HG22 ILE 11 2HG2 ILE 11 -3.783 2.978 -1.145 75 HG23 ILE 11 3HG2 ILE 11 -4.245 2.528 0.496 76 HD11 ILE 11 3HD1 ILE 11 -2.885 3.666 3.040 77 HD12 ILE 11 1HD1 ILE 11 -2.334 2.111 3.663 78 HD13 ILE 11 2HD1 ILE 11 -3.659 2.169 2.504 79 H GLU 12 H GLU 12 -1.368 1.873 -2.894 80 HA GLU 12 HA GLU 12 -1.795 4.274 -4.558 81 HB2 GLU 12 2HB GLU 12 -1.288 1.392 -5.419 82 HB3 GLU 12 1HB GLU 12 -1.407 2.788 -6.489 83 HG2 GLU 12 2HG GLU 12 0.602 3.739 -5.204 84 HG3 GLU 12 1HG GLU 12 0.786 2.128 -4.513 85 H LYS 13 H LYS 13 -3.098 1.040 -3.953 86 HA LYS 13 HA LYS 13 -5.813 1.865 -4.815 87 HB2 LYS 13 2HB LYS 13 -4.301 -0.659 -5.694 88 HB3 LYS 13 1HB LYS 13 -5.999 -0.326 -6.015 89 HG2 LYS 13 2HG LYS 13 -5.445 1.535 -7.455 90 HG3 LYS 13 1HG LYS 13 -3.743 1.426 -7.002 91 HD2 LYS 13 2HD LYS 13 -4.155 0.478 -9.245 92 HD3 LYS 13 1HD LYS 13 -3.542 -0.746 -8.127 93 HE2 LYS 13 2HE LYS 13 -5.373 -1.628 -9.531 94 HE3 LYS 13 1HE LYS 13 -5.819 -1.628 -7.826 95 HZ1 LYS 13 3HZ LYS 13 -6.631 0.436 -9.805 96 HZ2 LYS 13 1HZ LYS 13 -7.114 0.361 -8.185 97 HZ3 LYS 13 2HZ LYS 13 -7.604 -0.840 -9.268 98 H LYS 14 H LYS 14 -7.439 0.089 -4.122 99 HA LYS 14 HA LYS 14 -6.641 -1.641 -1.945 100 HB2 LYS 14 2HB LYS 14 -7.796 -0.652 -0.141 101 HB3 LYS 14 1HB LYS 14 -6.959 0.682 -0.898 102 HG2 LYS 14 2HG LYS 14 -8.974 1.691 -0.502 103 HG3 LYS 14 1HG LYS 14 -9.321 1.032 -2.101 104 HD2 LYS 14 2HD LYS 14 -10.465 -0.897 -1.080 105 HD3 LYS 14 1HD LYS 14 -10.040 -0.316 0.532 106 HE2 LYS 14 2HE LYS 14 -12.379 0.202 -0.038 107 HE3 LYS 14 1HE LYS 14 -11.430 1.663 0.215 108 HZ1 LYS 14 3HZ LYS 14 -11.261 1.938 -2.179 109 HZ2 LYS 14 1HZ LYS 14 -12.880 1.865 -1.694 110 HZ3 LYS 14 2HZ LYS 14 -12.164 0.527 -2.435 111 H ARG 15 H ARG 15 -8.404 -2.994 -1.138 112 HA ARG 15 HA ARG 15 -10.987 -2.920 -2.491 113 HE ARG 15 HE ARG 15 -6.475 -6.986 -1.442 114 HB2 ARG 15 2HB ARG 15 -10.973 -5.201 -3.305 115 HB3 ARG 15 1HB ARG 15 -9.576 -4.387 -3.988 116 HG2 ARG 15 2HG ARG 15 -9.330 -6.131 -1.514 117 HG3 ARG 15 1HG ARG 15 -9.275 -6.822 -3.135 118 HD2 ARG 15 2HD ARG 15 -7.339 -5.209 -3.595 119 HD3 ARG 15 1HD ARG 15 -7.340 -4.868 -1.862 120 HH11 ARG 15 1HH1 ARG 15 -7.138 -6.654 -4.878 121 HH12 ARG 15 2HH1 ARG 15 -6.261 -8.086 -5.306 122 HH21 ARG 15 1HH2 ARG 15 -5.306 -8.854 -2.037 123 HH22 ARG 15 2HH2 ARG 15 -5.228 -9.317 -3.706 124 H ILE 16 H ILE 16 -12.615 -4.015 -1.326 125 HA ILE 16 HA ILE 16 -11.848 -5.267 1.254 126 HB ILE 16 HB ILE 16 -14.503 -3.983 0.435 127 HG12 ILE 16 2HG1 ILE 16 -12.546 -3.353 2.654 128 HG13 ILE 16 1HG1 ILE 16 -12.734 -2.399 1.183 129 HG21 ILE 16 1HG2 ILE 16 -15.368 -4.621 2.684 130 HG22 ILE 16 2HG2 ILE 16 -13.892 -5.536 2.990 131 HG23 ILE 16 3HG2 ILE 16 -14.992 -6.043 1.707 132 HD11 ILE 16 3HD1 ILE 16 -13.802 -1.307 3.049 133 HD12 ILE 16 1HD1 ILE 16 -14.766 -2.743 3.392 134 HD13 ILE 16 2HD1 ILE 16 -15.034 -1.833 1.902 135 H ARG 17 H ARG 17 -12.080 -7.384 1.361 136 HA ARG 17 HA ARG 17 -14.274 -8.785 0.200 137 HE ARG 17 HE ARG 17 -14.339 -13.434 -1.204 138 HB2 ARG 17 2HB ARG 17 -12.537 -8.558 -1.702 139 HB3 ARG 17 1HB ARG 17 -11.505 -9.646 -0.787 140 HG2 ARG 17 2HG ARG 17 -14.318 -10.477 -1.548 141 HG3 ARG 17 1HG ARG 17 -13.017 -10.571 -2.729 142 HD2 ARG 17 2HD ARG 17 -11.771 -12.117 -1.270 143 HD3 ARG 17 1HD ARG 17 -13.023 -11.978 -0.035 144 HH11 ARG 17 1HH1 ARG 17 -11.731 -12.434 -3.364 145 HH12 ARG 17 2HH1 ARG 17 -12.149 -13.588 -4.589 146 HH21 ARG 17 1HH2 ARG 17 -14.847 -14.943 -2.811 147 HH22 ARG 17 2HH2 ARG 17 -13.922 -14.996 -4.276 148 H LYS 18 H LYS 18 -14.685 -10.668 1.308 149 HA LYS 18 HA LYS 18 -14.667 -12.274 2.897 150 HB2 LYS 18 2HB LYS 18 -12.493 -12.867 1.681 151 HB3 LYS 18 1HB LYS 18 -11.623 -12.010 2.943 152 HG2 LYS 18 2HG LYS 18 -12.462 -13.623 4.624 153 HG3 LYS 18 1HG LYS 18 -13.367 -14.470 3.367 154 HD2 LYS 18 2HD LYS 18 -11.280 -15.662 3.870 155 HD3 LYS 18 1HD LYS 18 -11.230 -15.033 2.221 156 HE2 LYS 18 2HE LYS 18 -9.827 -13.139 2.995 157 HE3 LYS 18 1HE LYS 18 -9.893 -13.762 4.645 158 HZ1 LYS 18 3HZ LYS 18 -7.858 -14.363 3.532 159 HZ2 LYS 18 1HZ LYS 18 -8.715 -15.153 2.312 160 HZ3 LYS 18 2HZ LYS 18 -8.762 -15.749 3.892 161 H GLY 19 H GLY 19 -14.801 -9.427 3.553 162 HA2 GLY 19 2HA GLY 19 -15.261 -8.182 5.423 163 HA3 GLY 19 1HA GLY 19 -14.870 -9.580 6.412 164 H ARG 20 H ARG 20 -12.598 -8.288 4.100 165 HA ARG 20 HA ARG 20 -10.931 -7.057 6.205 166 HE ARG 20 HE ARG 20 -9.400 -12.637 6.990 167 HB2 ARG 20 2HB ARG 20 -9.934 -9.105 4.154 168 HB3 ARG 20 1HB ARG 20 -8.915 -8.192 5.264 169 HG2 ARG 20 2HG ARG 20 -10.041 -9.338 7.191 170 HG3 ARG 20 1HG ARG 20 -10.959 -10.319 6.042 171 HD2 ARG 20 2HD ARG 20 -8.870 -11.289 5.177 172 HD3 ARG 20 1HD ARG 20 -7.921 -10.237 6.229 173 HH11 ARG 20 1HH1 ARG 20 -7.708 -9.806 8.221 174 HH12 ARG 20 2HH1 ARG 20 -7.271 -10.576 9.712 175 HH21 ARG 20 1HH2 ARG 20 -8.840 -13.617 8.948 176 HH22 ARG 20 2HH2 ARG 20 -7.928 -12.733 10.127 177 H VAL 21 H VAL 21 -9.668 -5.320 5.435 178 HA VAL 21 HA VAL 21 -10.039 -4.609 2.575 179 HB VAL 21 HB VAL 21 -11.265 -3.070 4.041 180 HG11 VAL 21 1HG1 VAL 21 -10.160 -1.528 5.604 181 HG12 VAL 21 2HG1 VAL 21 -8.623 -2.352 5.329 182 HG13 VAL 21 3HG1 VAL 21 -9.954 -3.213 6.103 183 HG21 VAL 21 3HG2 VAL 21 -10.387 -2.190 1.943 184 HG22 VAL 21 1HG2 VAL 21 -8.867 -1.763 2.731 185 HG23 VAL 21 2HG2 VAL 21 -10.355 -0.930 3.180 186 H GLU 22 H GLU 22 -8.257 -4.484 1.369 187 HA GLU 22 HA GLU 22 -5.609 -4.618 2.681 188 HB2 GLU 22 2HB GLU 22 -6.453 -6.861 1.972 189 HB3 GLU 22 1HB GLU 22 -6.552 -6.288 0.308 190 HG2 GLU 22 2HG GLU 22 -4.171 -6.096 0.142 191 HG3 GLU 22 1HG GLU 22 -3.968 -6.304 1.881 192 H TYR 23 H TYR 23 -3.848 -3.723 1.536 193 HA TYR 23 HA TYR 23 -4.666 -1.577 -0.340 194 HD1 TYR 23 2HD TYR 23 -6.187 -0.660 0.823 195 HD2 TYR 23 1HD TYR 23 -3.467 -0.410 4.084 196 HE1 TYR 23 2HE TYR 23 -8.012 -0.001 2.313 197 HE2 TYR 23 1HE TYR 23 -5.294 0.240 5.586 198 HH TYR 23 HH TYR 23 -8.562 -0.026 4.703 199 HB2 TYR 23 2HB TYR 23 -2.733 -1.365 2.012 200 HB3 TYR 23 1HB TYR 23 -3.191 -0.057 0.929 201 H LEU 24 H LEU 24 -3.400 -1.369 -2.127 202 HA LEU 24 HA LEU 24 -1.104 -3.010 -2.619 203 HG LEU 24 HG LEU 24 0.136 -1.257 -4.946 204 HB2 LEU 24 2HB LEU 24 -2.680 -2.276 -4.411 205 HB3 LEU 24 1HB LEU 24 -2.174 -0.613 -4.178 206 HD11 LEU 24 1HD1 LEU 24 -1.126 -3.935 -5.586 207 HD12 LEU 24 2HD1 LEU 24 0.111 -3.634 -4.364 208 HD13 LEU 24 3HD1 LEU 24 0.490 -3.413 -6.070 209 HD21 LEU 24 3HD2 LEU 24 -0.401 -1.454 -7.326 210 HD22 LEU 24 1HD2 LEU 24 -1.455 -0.281 -6.535 211 HD23 LEU 24 2HD2 LEU 24 -2.063 -1.892 -6.925 212 H VAL 25 H VAL 25 0.677 -2.586 -1.395 213 HA VAL 25 HA VAL 25 1.577 0.131 -0.861 214 HB VAL 25 HB VAL 25 3.562 -0.978 0.268 215 HG11 VAL 25 1HG1 VAL 25 1.616 -0.285 1.576 216 HG12 VAL 25 2HG1 VAL 25 2.300 -1.770 2.237 217 HG13 VAL 25 3HG1 VAL 25 0.824 -1.837 1.271 218 HG21 VAL 25 3HG2 VAL 25 3.628 -3.131 -0.949 219 HG22 VAL 25 1HG2 VAL 25 2.079 -3.596 -0.240 220 HG23 VAL 25 2HG2 VAL 25 3.502 -3.397 0.790 221 H LYS 26 H LYS 26 2.659 1.215 -2.319 222 HA LYS 26 HA LYS 26 4.153 0.042 -4.465 223 HB2 LYS 26 2HB LYS 26 3.006 2.422 -4.339 224 HB3 LYS 26 1HB LYS 26 4.489 2.923 -3.549 225 HG2 LYS 26 2HG LYS 26 4.314 1.691 -6.320 226 HG3 LYS 26 1HG LYS 26 4.420 3.419 -5.993 227 HD2 LYS 26 2HD LYS 26 6.672 3.200 -5.142 228 HD3 LYS 26 1HD LYS 26 6.560 1.438 -5.137 229 HE2 LYS 26 2HE LYS 26 7.899 2.258 -7.037 230 HE3 LYS 26 1HE LYS 26 6.454 1.405 -7.581 231 HZ1 LYS 26 3HZ LYS 26 6.880 3.448 -8.815 232 HZ2 LYS 26 1HZ LYS 26 6.720 4.356 -7.403 233 HZ3 LYS 26 2HZ LYS 26 5.394 3.503 -8.015 234 H TRP 27 H TRP 27 6.088 -0.931 -4.081 235 HA TRP 27 HA TRP 27 7.679 -0.306 -1.744 236 HD1 TRP 27 HD TRP 27 6.185 -4.150 -3.274 237 HE1 TRP 27 1HE TRP 27 5.465 -5.187 -1.036 238 HE3 TRP 27 3HE TRP 27 9.030 -1.369 -0.089 239 HZ2 TRP 27 2HZ TRP 27 5.996 -4.879 1.701 240 HZ3 TRP 27 3HZ TRP 27 8.864 -1.791 2.320 241 HH2 TRP 27 HH TRP 27 7.392 -3.497 3.201 242 HB2 TRP 27 2HB TRP 27 7.961 -2.325 -4.003 243 HB3 TRP 27 1HB TRP 27 9.238 -2.081 -2.813 244 H ARG 28 H ARG 28 8.609 1.579 -1.782 245 HA ARG 28 HA ARG 28 9.673 3.000 -3.988 246 HE ARG 28 HE ARG 28 12.499 7.033 -1.595 247 HB2 ARG 28 2HB ARG 28 8.912 4.053 -1.877 248 HB3 ARG 28 1HB ARG 28 10.227 3.283 -0.996 249 HG2 ARG 28 2HG ARG 28 11.871 4.607 -2.243 250 HG3 ARG 28 1HG ARG 28 10.590 5.316 -3.229 251 HD2 ARG 28 2HD ARG 28 9.628 6.375 -1.203 252 HD3 ARG 28 1HD ARG 28 10.928 5.678 -0.230 253 HH11 ARG 28 1HH1 ARG 28 9.157 8.113 -1.452 254 HH12 ARG 28 2HH1 ARG 28 9.565 9.778 -1.718 255 HH21 ARG 28 1HH2 ARG 28 13.010 9.183 -1.991 256 HH22 ARG 28 2HH2 ARG 28 11.761 10.381 -2.038 257 H GLY 29 H GLY 29 11.573 2.758 -4.989 258 HA2 GLY 29 2HA GLY 29 13.908 2.281 -5.159 259 HA3 GLY 29 1HA GLY 29 13.777 1.175 -3.799 260 H TRP 30 H TRP 30 11.123 0.334 -5.284 261 HA TRP 30 HA TRP 30 12.359 -1.586 -7.185 262 HD1 TRP 30 HD TRP 30 11.232 -1.650 -3.016 263 HE1 TRP 30 1HE TRP 30 13.071 -2.962 -1.802 264 HE3 TRP 30 3HE TRP 30 12.753 -4.708 -6.847 265 HZ2 TRP 30 2HZ TRP 30 14.916 -4.999 -2.353 266 HZ3 TRP 30 3HZ TRP 30 14.569 -6.316 -6.404 267 HH2 TRP 30 HH TRP 30 15.631 -6.461 -4.200 268 HB2 TRP 30 2HB TRP 30 9.955 -2.040 -5.351 269 HB3 TRP 30 1HB TRP 30 10.643 -3.215 -6.468 270 H SER 31 H SER 31 10.713 -2.454 -8.793 271 HA SER 31 HA SER 31 9.480 -0.212 -10.153 272 HG SER 31 HG SER 31 11.385 -1.033 -11.565 273 HB2 SER 31 2HB SER 31 9.575 -3.147 -10.987 274 HB3 SER 31 1HB SER 31 9.239 -1.771 -12.034 275 HA PRO 32 HA PRO 32 5.020 -0.680 -9.307 276 HB2 PRO 32 2HB PRO 32 4.878 -1.296 -12.273 277 HB3 PRO 32 1HB PRO 32 3.793 -0.299 -11.286 278 HG2 PRO 32 2HG PRO 32 5.671 0.868 -12.769 279 HG3 PRO 32 1HG PRO 32 5.342 1.465 -11.128 280 HD2 PRO 32 2HD PRO 32 7.681 -0.113 -12.133 281 HD3 PRO 32 1HD PRO 32 7.593 1.056 -10.797 282 H LYS 33 H LYS 33 6.520 -3.239 -11.307 283 HA LYS 33 HA LYS 33 4.454 -5.195 -10.725 284 HB2 LYS 33 2HB LYS 33 5.962 -6.798 -11.962 285 HB3 LYS 33 1HB LYS 33 5.474 -5.372 -12.866 286 HG2 LYS 33 2HG LYS 33 7.651 -4.333 -12.502 287 HG3 LYS 33 1HG LYS 33 8.164 -5.694 -11.503 288 HD2 LYS 33 2HD LYS 33 9.066 -5.733 -13.861 289 HD3 LYS 33 1HD LYS 33 8.179 -7.185 -13.399 290 HE2 LYS 33 2HE LYS 33 7.657 -6.439 -15.711 291 HE3 LYS 33 1HE LYS 33 6.232 -6.446 -14.678 292 HZ1 LYS 33 3HZ LYS 33 6.324 -4.486 -16.071 293 HZ2 LYS 33 1HZ LYS 33 7.819 -4.050 -15.419 294 HZ3 LYS 33 2HZ LYS 33 6.438 -4.054 -14.443 295 H TYR 34 H TYR 34 7.226 -4.169 -9.024 296 HA TYR 34 HA TYR 34 7.400 -6.634 -7.407 297 HD1 TYR 34 2HD TYR 34 9.560 -4.459 -9.788 298 HD2 TYR 34 1HD TYR 34 10.500 -7.376 -6.822 299 HE1 TYR 34 2HE TYR 34 11.092 -5.557 -11.363 300 HE2 TYR 34 1HE TYR 34 12.031 -8.479 -8.391 301 HH TYR 34 HH TYR 34 13.151 -7.061 -11.166 302 HB2 TYR 34 2HB TYR 34 9.040 -4.060 -7.360 303 HB3 TYR 34 1HB TYR 34 9.256 -5.379 -6.214 304 H ASN 35 H ASN 35 5.542 -3.838 -7.479 305 HA ASN 35 HA ASN 35 5.107 -3.452 -4.673 306 HB2 ASN 35 2HB ASN 35 3.184 -2.872 -6.976 307 HB3 ASN 35 1HB ASN 35 3.063 -2.228 -5.339 308 HD21 ASN 35 1HD2 ASN 35 3.087 -0.633 -7.601 309 HD22 ASN 35 2HD2 ASN 35 4.535 0.305 -7.624 310 H THR 36 H THR 36 3.213 -4.160 -3.470 311 HA THR 36 HA THR 36 1.788 -6.529 -4.460 312 HB THR 36 HB THR 36 4.004 -7.256 -3.322 313 HG1 THR 36 1HG THR 36 2.970 -9.019 -2.354 314 HG21 THR 36 3HG2 THR 36 2.487 -6.561 -0.778 315 HG22 THR 36 1HG2 THR 36 3.886 -5.676 -1.387 316 HG23 THR 36 2HG2 THR 36 4.056 -7.359 -0.893 317 H TRP 37 H TRP 37 0.078 -7.186 -2.903 318 HA TRP 37 HA TRP 37 -1.207 -4.926 -1.609 319 HD1 TRP 37 HD TRP 37 -1.827 -7.940 -4.575 320 HE1 TRP 37 1HE TRP 37 -3.032 -6.723 -6.485 321 HE3 TRP 37 3HE TRP 37 -4.137 -4.264 -1.881 322 HZ2 TRP 37 2HZ TRP 37 -4.736 -4.503 -6.829 323 HZ3 TRP 37 3HZ TRP 37 -5.533 -2.633 -3.072 324 HH2 TRP 37 HH TRP 37 -5.832 -2.746 -5.498 325 HB2 TRP 37 2HB TRP 37 -2.062 -7.836 -1.905 326 HB3 TRP 37 1HB TRP 37 -3.064 -6.555 -1.239 327 H GLU 38 H GLU 38 -1.638 -4.770 0.590 328 HA GLU 38 HA GLU 38 -0.498 -6.628 2.519 329 HB2 GLU 38 2HB GLU 38 1.115 -4.567 1.725 330 HB3 GLU 38 1HB GLU 38 0.177 -3.725 2.947 331 HG2 GLU 38 2HG GLU 38 2.220 -4.512 3.902 332 HG3 GLU 38 1HG GLU 38 0.858 -5.368 4.614 333 HA PRO 39 HA PRO 39 -4.611 -5.476 4.044 334 HB2 PRO 39 2HB PRO 39 -4.431 -6.729 6.534 335 HB3 PRO 39 1HB PRO 39 -4.840 -7.540 5.020 336 HG2 PRO 39 2HG PRO 39 -2.173 -7.361 6.404 337 HG3 PRO 39 1HG PRO 39 -2.950 -8.773 5.652 338 HD2 PRO 39 2HD PRO 39 -1.013 -7.424 4.375 339 HD3 PRO 39 1HD PRO 39 -2.403 -8.067 3.475 340 H GLU 40 H GLU 40 -5.636 -4.382 5.861 341 HA GLU 40 HA GLU 40 -4.496 -1.891 6.376 342 HB2 GLU 40 2HB GLU 40 -6.462 -1.381 7.690 343 HB3 GLU 40 1HB GLU 40 -6.969 -2.379 6.339 344 HG2 GLU 40 2HG GLU 40 -6.574 -3.362 9.188 345 HG3 GLU 40 1HG GLU 40 -8.125 -2.959 8.463 346 H GLU 41 H GLU 41 -4.390 -4.825 8.281 347 HA GLU 41 HA GLU 41 -3.614 -3.714 10.791 348 HB2 GLU 41 2HB GLU 41 -3.176 -6.062 11.426 349 HB3 GLU 41 1HB GLU 41 -4.722 -5.900 10.599 350 HG2 GLU 41 2HG GLU 41 -3.680 -6.726 8.503 351 HG3 GLU 41 1HG GLU 41 -2.152 -6.940 9.360 352 H ASN 42 H ASN 42 -1.897 -4.576 7.885 353 HA ASN 42 HA ASN 42 0.747 -4.432 9.122 354 HB2 ASN 42 2HB ASN 42 -0.134 -4.990 6.275 355 HB3 ASN 42 1HB ASN 42 1.558 -4.892 6.762 356 HD21 ASN 42 1HD2 ASN 42 0.415 -7.136 5.579 357 HD22 ASN 42 2HD2 ASN 42 0.418 -8.430 6.723 358 H ILE 43 H ILE 43 -1.454 -2.171 8.114 359 HA ILE 43 HA ILE 43 0.644 -0.245 7.300 360 HB ILE 43 HB ILE 43 -2.358 0.004 6.823 361 HG12 ILE 43 2HG1 ILE 43 -1.445 -1.807 5.420 362 HG13 ILE 43 1HG1 ILE 43 -1.821 -0.416 4.420 363 HG21 ILE 43 1HG2 ILE 43 -1.235 2.192 7.033 364 HG22 ILE 43 2HG2 ILE 43 -1.757 1.911 5.374 365 HG23 ILE 43 3HG2 ILE 43 -0.056 1.723 5.802 366 HD11 ILE 43 3HD1 ILE 43 0.238 -1.463 3.725 367 HD12 ILE 43 1HD1 ILE 43 0.937 -1.228 5.326 368 HD13 ILE 43 2HD1 ILE 43 0.549 0.167 4.315 369 H LEU 44 H LEU 44 1.346 0.202 9.322 370 HA LEU 44 HA LEU 44 -0.445 1.372 11.333 371 HG LEU 44 HG LEU 44 1.753 -0.929 13.342 372 HB2 LEU 44 2HB LEU 44 2.499 0.584 11.432 373 HB3 LEU 44 1HB LEU 44 1.667 1.366 12.756 374 HD11 LEU 44 1HD1 LEU 44 -0.439 0.034 13.775 375 HD12 LEU 44 2HD1 LEU 44 -0.574 -1.683 13.410 376 HD13 LEU 44 3HD1 LEU 44 -1.012 -0.487 12.186 377 HD21 LEU 44 3HD2 LEU 44 2.399 -1.868 11.183 378 HD22 LEU 44 1HD2 LEU 44 0.753 -1.666 10.577 379 HD23 LEU 44 2HD2 LEU 44 1.082 -2.793 11.898 380 H ASP 45 H ASP 45 1.324 2.396 8.709 381 HA ASP 45 HA ASP 45 2.570 4.734 9.946 382 HB2 ASP 45 2HB ASP 45 3.918 3.264 8.511 383 HB3 ASP 45 1HB ASP 45 2.828 3.562 7.156 384 HA PRO 46 HA PRO 46 -0.962 7.255 8.788 385 HB2 PRO 46 2HB PRO 46 0.912 9.566 9.203 386 HB3 PRO 46 1HB PRO 46 -0.645 9.224 9.973 387 HG2 PRO 46 2HG PRO 46 1.624 8.878 11.324 388 HG3 PRO 46 1HG PRO 46 0.293 7.714 11.504 389 HD2 PRO 46 2HD PRO 46 2.815 7.472 9.847 390 HD3 PRO 46 1HD PRO 46 2.044 6.270 10.913 391 H ARG 47 H ARG 47 2.210 7.880 7.297 392 HA ARG 47 HA ARG 47 1.429 9.681 5.265 393 HE ARG 47 HE ARG 47 3.627 11.403 3.426 394 HB2 ARG 47 2HB ARG 47 3.694 7.654 5.345 395 HB3 ARG 47 1HB ARG 47 3.532 8.862 4.077 396 HG2 ARG 47 2HG ARG 47 3.789 9.588 7.012 397 HG3 ARG 47 1HG ARG 47 5.177 9.377 5.942 398 HD2 ARG 47 2HD ARG 47 2.945 11.416 5.596 399 HD3 ARG 47 1HD ARG 47 4.606 11.760 6.091 400 HH11 ARG 47 1HH1 ARG 47 6.544 10.886 5.330 401 HH12 ARG 47 2HH1 ARG 47 7.585 10.928 3.944 402 HH21 ARG 47 1HH2 ARG 47 5.017 11.459 1.635 403 HH22 ARG 47 2HH2 ARG 47 6.724 11.254 1.859 404 H LEU 48 H LEU 48 1.565 6.146 5.337 405 HA LEU 48 HA LEU 48 0.821 5.654 2.631 406 HG LEU 48 HG LEU 48 2.651 4.300 5.172 407 HB2 LEU 48 2HB LEU 48 0.267 3.845 5.021 408 HB3 LEU 48 1HB LEU 48 0.416 3.364 3.338 409 HD11 LEU 48 1HD1 LEU 48 2.176 1.607 3.864 410 HD12 LEU 48 2HD1 LEU 48 1.943 2.000 5.570 411 HD13 LEU 48 3HD1 LEU 48 3.559 2.050 4.872 412 HD21 LEU 48 3HD2 LEU 48 3.078 5.199 2.948 413 HD22 LEU 48 1HD2 LEU 48 2.847 3.604 2.227 414 HD23 LEU 48 2HD2 LEU 48 4.209 3.899 3.311 415 H LEU 49 H LEU 49 -1.005 5.816 5.676 416 HA LEU 49 HA LEU 49 -3.582 5.233 4.692 417 HG LEU 49 HG LEU 49 -2.117 4.296 7.192 418 HB2 LEU 49 2HB LEU 49 -2.692 6.752 7.164 419 HB3 LEU 49 1HB LEU 49 -4.369 6.328 6.856 420 HD11 LEU 49 1HD1 LEU 49 -4.263 5.129 9.174 421 HD12 LEU 49 2HD1 LEU 49 -2.536 5.479 9.297 422 HD13 LEU 49 3HD1 LEU 49 -3.104 3.815 9.393 423 HD21 LEU 49 3HD2 LEU 49 -3.943 2.635 7.322 424 HD22 LEU 49 1HD2 LEU 49 -3.937 3.463 5.764 425 HD23 LEU 49 2HD2 LEU 49 -5.128 3.900 6.990 426 H ILE 50 H ILE 50 -1.768 8.259 4.664 427 HA ILE 50 HA ILE 50 -3.890 10.095 4.308 428 HB ILE 50 HB ILE 50 -1.013 10.196 3.295 429 HG12 ILE 50 2HG1 ILE 50 -2.364 11.657 5.605 430 HG13 ILE 50 1HG1 ILE 50 -1.298 10.272 5.770 431 HG21 ILE 50 1HG2 ILE 50 -3.049 12.454 3.208 432 HG22 ILE 50 2HG2 ILE 50 -2.362 11.619 1.811 433 HG23 ILE 50 3HG2 ILE 50 -1.330 12.607 2.842 434 HD11 ILE 50 3HD1 ILE 50 0.557 11.612 4.869 435 HD12 ILE 50 1HD1 ILE 50 -0.144 12.317 6.325 436 HD13 ILE 50 2HD1 ILE 50 -0.525 13.001 4.746 437 H ALA 51 H ALA 51 -1.972 8.248 1.922 438 HA ALA 51 HA ALA 51 -3.237 9.306 -0.403 439 HB1 ALA 51 1HB ALA 51 -2.103 7.487 -1.605 440 HB2 ALA 51 2HB ALA 51 -1.716 6.706 -0.069 441 HB3 ALA 51 3HB ALA 51 -1.011 8.276 -0.465 442 H PHE 52 H PHE 52 -3.880 6.453 1.597 443 HA PHE 52 HA PHE 52 -5.939 5.249 0.108 444 HD1 PHE 52 1HD PHE 52 -7.264 3.033 0.805 445 HD2 PHE 52 2HD PHE 52 -7.229 5.173 4.514 446 HE1 PHE 52 1HE PHE 52 -9.421 2.024 1.426 447 HE2 PHE 52 2HE PHE 52 -9.381 4.149 5.118 448 HZ PHE 52 HZ PHE 52 -10.481 2.577 3.575 449 HB2 PHE 52 2HB PHE 52 -5.051 4.042 1.984 450 HB3 PHE 52 1HB PHE 52 -5.373 5.370 3.091 451 H GLN 53 H GLN 53 -6.150 7.661 2.728 452 HA GLN 53 HA GLN 53 -8.966 8.015 2.620 453 HB2 GLN 53 2HB GLN 53 -6.769 9.777 3.791 454 HB3 GLN 53 1HB GLN 53 -8.493 10.038 4.061 455 HG2 GLN 53 2HG GLN 53 -8.673 7.891 5.221 456 HG3 GLN 53 1HG GLN 53 -6.984 7.531 4.862 457 HE21 GLN 53 1HE2 GLN 53 -9.138 9.561 6.754 458 HE22 GLN 53 2HE2 GLN 53 -7.965 10.035 7.928 459 H ASN 54 H ASN 54 -6.306 9.522 0.884 460 HA ASN 54 HA ASN 54 -7.671 11.785 -0.175 461 HB2 ASN 54 2HB ASN 54 -5.244 10.248 -1.196 462 HB3 ASN 54 1HB ASN 54 -5.865 11.683 -2.010 463 HD21 ASN 54 1HD2 ASN 54 -3.266 11.312 -0.864 464 HD22 ASN 54 2HD2 ASN 54 -3.081 12.524 0.352 465 H ARG 55 H ARG 55 -7.148 8.477 -1.375 466 HA ARG 55 HA ARG 55 -8.513 8.813 -3.849 467 HE ARG 55 HE ARG 55 -5.666 5.295 -4.723 468 HB2 ARG 55 2HB ARG 55 -6.849 7.051 -3.525 469 HB3 ARG 55 1HB ARG 55 -7.833 6.300 -2.272 470 HG2 ARG 55 2HG ARG 55 -9.505 5.619 -3.862 471 HG3 ARG 55 1HG ARG 55 -8.791 6.610 -5.138 472 HD2 ARG 55 2HD ARG 55 -7.491 4.179 -3.861 473 HD3 ARG 55 1HD ARG 55 -8.268 4.216 -5.446 474 HH11 ARG 55 1HH1 ARG 55 -8.165 5.230 -7.184 475 HH12 ARG 55 2HH1 ARG 55 -7.114 5.807 -8.433 476 HH21 ARG 55 1HH2 ARG 55 -4.303 6.065 -6.346 477 HH22 ARG 55 2HH2 ARG 55 -4.909 6.286 -7.956 478 H GLU 56 H GLU 56 -9.520 7.600 -0.664 479 HA GLU 56 HA GLU 56 -12.154 6.822 -1.492 480 HB2 GLU 56 2HB GLU 56 -11.115 7.333 1.327 481 HB3 GLU 56 1HB GLU 56 -12.604 6.491 0.908 482 HG2 GLU 56 2HG GLU 56 -9.760 5.564 0.518 483 HG3 GLU 56 1HG GLU 56 -11.033 4.808 1.463 484 H ARG 57 H ARG 57 -10.765 9.861 -0.742 485 HA ARG 57 HA ARG 57 -13.443 11.123 -0.579 486 HE ARG 57 HE ARG 57 -14.289 14.406 3.327 487 HB2 ARG 57 2HB ARG 57 -12.058 11.052 1.623 488 HB3 ARG 57 1HB ARG 57 -10.959 12.185 0.845 489 HG2 ARG 57 2HG ARG 57 -12.821 13.817 0.614 490 HG3 ARG 57 1HG ARG 57 -13.912 12.674 1.407 491 HD2 ARG 57 2HD ARG 57 -12.480 12.764 3.448 492 HD3 ARG 57 1HD ARG 57 -11.439 13.944 2.642 493 HH11 ARG 57 1HH1 ARG 57 -11.043 15.676 2.900 494 HH12 ARG 57 2HH1 ARG 57 -11.473 17.271 3.421 495 HH21 ARG 57 1HH2 ARG 57 -14.827 16.484 4.028 496 HH22 ARG 57 2HH2 ARG 57 -13.622 17.731 4.052 497 H GLN 58 H GLN 58 -11.916 10.589 -2.989 498 HA GLN 58 HA GLN 58 -10.874 13.092 -3.977 499 HB2 GLN 58 2HB GLN 58 -11.925 10.644 -5.474 500 HB3 GLN 58 1HB GLN 58 -11.246 12.054 -6.280 501 HG2 GLN 58 2HG GLN 58 -9.094 11.657 -5.107 502 HG3 GLN 58 1HG GLN 58 -9.777 10.207 -4.378 503 HE21 GLN 58 1HE2 GLN 58 -7.458 10.446 -6.102 504 HE22 GLN 58 2HE2 GLN 58 -7.757 9.475 -7.499 505 H GLU 59 H GLU 59 -12.489 14.508 -3.126 506 HA GLU 59 HA GLU 59 -15.269 14.265 -3.873 507 HB2 GLU 59 2HB GLU 59 -14.464 15.068 -1.619 508 HB3 GLU 59 1HB GLU 59 -13.855 16.530 -2.386 509 HG2 GLU 59 2HG GLU 59 -16.098 17.211 -2.993 510 HG3 GLU 59 1HG GLU 59 -16.764 15.672 -2.439 511 H GLN 60 H GLN 60 -15.194 14.402 -6.101 512 HA GLN 60 HA GLN 60 -14.288 16.918 -7.373 513 HB2 GLN 60 2HB GLN 60 -14.543 14.153 -8.652 514 HB3 GLN 60 1HB GLN 60 -13.891 15.599 -9.414 515 HG2 GLN 60 2HG GLN 60 -12.661 14.119 -7.070 516 HG3 GLN 60 1HG GLN 60 -12.118 14.032 -8.743 517 HE21 GLN 60 1HE2 GLN 60 -10.648 14.878 -6.334 518 HE22 GLN 60 2HE2 GLN 60 -10.076 16.472 -6.677
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