NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
14829 | 1x5c | 11114 | 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 H GLY 1 -6.683 -29.002 -7.146 2 HA2 GLY 1 1HA GLY 1 -7.925 -27.111 -5.516 3 HA3 GLY 1 2HA GLY 1 -6.820 -26.237 -6.567 4 H SER 2 H SER 2 -9.927 -27.318 -6.247 5 HA SER 2 HA SER 2 -10.438 -27.842 -9.048 6 HB2 SER 2 1HB SER 2 -12.231 -27.673 -6.623 7 HB3 SER 2 2HB SER 2 -12.850 -27.935 -8.253 8 HG SER 2 HG SER 2 -11.099 -29.594 -6.767 9 H SER 3 H SER 3 -11.681 -25.459 -6.700 10 HA SER 3 HA SER 3 -11.378 -23.303 -8.567 11 HB2 SER 3 1HB SER 3 -13.412 -24.173 -9.508 12 HB3 SER 3 2HB SER 3 -14.146 -24.331 -7.912 13 HG SER 3 HG SER 3 -13.253 -21.802 -8.664 14 H GLY 4 H GLY 4 -10.493 -21.893 -7.195 15 HA2 GLY 4 1HA GLY 4 -11.651 -21.623 -4.503 16 HA3 GLY 4 2HA GLY 4 -10.040 -21.104 -4.976 17 H SER 5 H SER 5 -11.508 -19.352 -3.584 18 HA SER 5 HA SER 5 -12.248 -17.357 -5.617 19 HB2 SER 5 1HB SER 5 -14.169 -18.479 -4.186 20 HB3 SER 5 2HB SER 5 -13.625 -17.332 -2.961 21 HG SER 5 HG SER 5 -14.000 -15.659 -4.455 22 H SER 6 H SER 6 -11.328 -17.857 -2.220 23 HA SER 6 HA SER 6 -10.730 -15.360 -1.375 24 HB2 SER 6 1HB SER 6 -8.866 -16.371 -0.038 25 HB3 SER 6 2HB SER 6 -10.384 -17.263 0.071 26 HG SER 6 HG SER 6 -9.291 -18.424 -1.875 27 H GLY 7 H GLY 7 -8.704 -14.144 -1.228 28 HA2 GLY 7 1HA GLY 7 -6.974 -14.522 -3.589 29 HA3 GLY 7 2HA GLY 7 -7.633 -12.942 -3.195 30 HA PRO 8 HA PRO 8 -3.449 -13.689 -1.124 31 HB2 PRO 8 1HB PRO 8 -2.048 -11.825 -2.516 32 HB3 PRO 8 2HB PRO 8 -2.194 -13.507 -3.040 33 HG2 PRO 8 1HG PRO 8 -3.711 -11.097 -3.962 34 HG3 PRO 8 2HG PRO 8 -3.026 -12.422 -4.921 35 HD2 PRO 8 1HD PRO 8 -5.655 -12.292 -4.283 36 HD3 PRO 8 2HD PRO 8 -4.791 -13.832 -4.463 37 H VAL 9 H VAL 9 -4.670 -10.574 -2.374 38 HA VAL 9 HA VAL 9 -4.317 -9.459 0.333 39 HB VAL 9 HB VAL 9 -2.741 -8.276 -0.899 40 HG11 VAL 9 1HG1 VAL 9 -4.673 -7.945 -3.186 41 HG12 VAL 9 2HG1 VAL 9 -2.950 -7.564 -3.163 42 HG13 VAL 9 3HG1 VAL 9 -3.485 -9.244 -3.091 43 HG21 VAL 9 1HG2 VAL 9 -4.653 -6.889 0.198 44 HG22 VAL 9 2HG2 VAL 9 -3.463 -6.083 -0.824 45 HG23 VAL 9 3HG2 VAL 9 -5.057 -6.475 -1.468 46 H LYS 10 H LYS 10 -6.034 -8.498 1.249 47 HA LYS 10 HA LYS 10 -8.611 -8.825 0.147 48 HB2 LYS 10 1HB LYS 10 -7.472 -7.542 2.574 49 HB3 LYS 10 2HB LYS 10 -9.092 -7.052 2.095 50 HG2 LYS 10 1HG LYS 10 -10.000 -9.087 2.564 51 HG3 LYS 10 2HG LYS 10 -8.501 -9.957 2.229 52 HD2 LYS 10 1HD LYS 10 -8.540 -10.139 4.504 53 HD3 LYS 10 2HD LYS 10 -7.675 -8.608 4.354 54 HE2 LYS 10 1HE LYS 10 -9.552 -7.354 4.937 55 HE3 LYS 10 2HE LYS 10 -10.663 -8.673 4.572 56 HZ1 LYS 10 1HZ LYS 10 -8.978 -9.599 6.560 57 HZ2 LYS 10 2HZ LYS 10 -10.611 -9.186 6.712 58 HZ3 LYS 10 3HZ LYS 10 -9.414 -8.032 7.026 59 H VAL 11 H VAL 11 -10.088 -7.318 -0.648 60 HA VAL 11 HA VAL 11 -8.862 -4.865 -1.717 61 HB VAL 11 HB VAL 11 -11.337 -6.279 -2.717 62 HG11 VAL 11 1HG1 VAL 11 -11.367 -4.769 -4.494 63 HG12 VAL 11 2HG1 VAL 11 -10.999 -3.758 -3.096 64 HG13 VAL 11 3HG1 VAL 11 -9.710 -4.242 -4.199 65 HG21 VAL 11 1HG2 VAL 11 -8.721 -6.231 -4.166 66 HG22 VAL 11 2HG2 VAL 11 -9.028 -7.451 -2.930 67 HG23 VAL 11 3HG2 VAL 11 -10.078 -7.344 -4.342 68 H LEU 12 H LEU 12 -9.280 -3.270 -0.297 69 HA LEU 12 HA LEU 12 -11.823 -3.103 1.072 70 HB2 LEU 12 1HB LEU 12 -9.540 -1.137 1.055 71 HB3 LEU 12 2HB LEU 12 -10.887 -1.179 2.191 72 HG LEU 12 HG LEU 12 -8.786 -3.331 1.951 73 HD11 LEU 12 1HD1 LEU 12 -7.615 -1.491 2.779 74 HD12 LEU 12 2HD1 LEU 12 -8.117 -2.364 4.227 75 HD13 LEU 12 3HD1 LEU 12 -8.993 -0.919 3.721 76 HD21 LEU 12 1HD2 LEU 12 -9.887 -4.475 3.543 77 HD22 LEU 12 2HD2 LEU 12 -11.282 -3.559 2.973 78 HD23 LEU 12 3HD2 LEU 12 -10.390 -3.014 4.394 79 H VAL 13 H VAL 13 -13.395 -1.550 0.779 80 HA VAL 13 HA VAL 13 -13.102 0.186 -1.584 81 HB VAL 13 HB VAL 13 -15.583 -0.140 -1.942 82 HG11 VAL 13 1HG1 VAL 13 -13.842 -1.192 -3.340 83 HG12 VAL 13 2HG1 VAL 13 -13.868 -2.599 -2.274 84 HG13 VAL 13 3HG1 VAL 13 -15.300 -2.175 -3.213 85 HG21 VAL 13 1HG2 VAL 13 -16.798 -1.685 -0.805 86 HG22 VAL 13 2HG2 VAL 13 -15.414 -2.745 -0.543 87 HG23 VAL 13 3HG2 VAL 13 -15.626 -1.309 0.458 88 H GLY 14 H GLY 14 -14.552 2.065 -1.588 89 HA2 GLY 14 1HA GLY 14 -14.450 3.448 0.884 90 HA3 GLY 14 2HA GLY 14 -15.253 4.006 -0.577 91 H LYS 15 H LYS 15 -16.519 1.051 0.002 92 HA LYS 15 HA LYS 15 -18.910 2.208 1.193 93 HB2 LYS 15 1HB LYS 15 -19.170 0.811 -0.793 94 HB3 LYS 15 2HB LYS 15 -18.393 -0.535 0.030 95 HG2 LYS 15 1HG LYS 15 -20.805 0.655 1.284 96 HG3 LYS 15 2HG LYS 15 -21.018 -0.337 -0.160 97 HD2 LYS 15 1HD LYS 15 -19.347 -1.318 2.124 98 HD3 LYS 15 2HD LYS 15 -21.106 -1.461 2.175 99 HE2 LYS 15 1HE LYS 15 -19.459 -2.459 -0.136 100 HE3 LYS 15 2HE LYS 15 -19.823 -3.457 1.271 101 HZ1 LYS 15 1HZ LYS 15 -22.193 -2.264 0.324 102 HZ2 LYS 15 2HZ LYS 15 -21.805 -3.906 0.430 103 HZ3 LYS 15 3HZ LYS 15 -21.413 -3.034 -0.965 104 H ASN 16 H ASN 16 -16.642 -0.453 1.812 105 HA ASN 16 HA ASN 16 -17.470 -0.382 4.633 106 HB2 ASN 16 1HB ASN 16 -17.153 -2.846 4.729 107 HB3 ASN 16 2HB ASN 16 -18.471 -2.366 3.663 108 HD21 ASN 16 1HD2 ASN 16 -15.034 -3.194 3.650 109 HD22 ASN 16 2HD2 ASN 16 -15.045 -3.959 2.101 110 H PHE 17 H PHE 17 -15.200 0.795 3.101 111 HA PHE 17 HA PHE 17 -12.802 -0.523 3.439 112 HB2 PHE 17 1HB PHE 17 -12.535 1.451 2.288 113 HB3 PHE 17 2HB PHE 17 -13.599 2.348 3.367 114 HD1 PHE 17 2HD PHE 17 -10.298 0.613 3.408 115 HD2 PHE 17 1HD PHE 17 -12.659 3.866 4.809 116 HE1 PHE 17 2HE PHE 17 -8.335 1.532 4.572 117 HE2 PHE 17 1HE PHE 17 -10.699 4.791 5.974 118 HZ PHE 17 HZ PHE 17 -8.534 3.623 5.858 119 H GLU 18 H GLU 18 -14.134 1.886 5.713 120 HA GLU 18 HA GLU 18 -12.294 1.334 7.769 121 HB2 GLU 18 1HB GLU 18 -15.078 2.402 8.207 122 HB3 GLU 18 2HB GLU 18 -13.633 2.719 9.157 123 HG2 GLU 18 1HG GLU 18 -13.671 4.648 7.998 124 HG3 GLU 18 2HG GLU 18 -12.802 3.676 6.812 125 H ASP 19 H ASP 19 -15.292 -0.166 6.848 126 HA ASP 19 HA ASP 19 -15.880 -1.494 9.262 127 HB2 ASP 19 1HB ASP 19 -16.671 -1.816 6.409 128 HB3 ASP 19 2HB ASP 19 -16.971 -3.169 7.496 129 H VAL 20 H VAL 20 -13.831 -2.336 6.525 130 HA VAL 20 HA VAL 20 -13.106 -4.865 7.820 131 HB VAL 20 HB VAL 20 -12.660 -3.819 5.032 132 HG11 VAL 20 1HG1 VAL 20 -11.333 -6.105 6.442 133 HG12 VAL 20 2HG1 VAL 20 -11.594 -6.143 4.697 134 HG13 VAL 20 3HG1 VAL 20 -10.617 -4.862 5.416 135 HG21 VAL 20 1HG2 VAL 20 -14.804 -4.768 5.251 136 HG22 VAL 20 2HG2 VAL 20 -13.814 -6.025 4.509 137 HG23 VAL 20 3HG2 VAL 20 -14.201 -6.107 6.228 138 H ALA 21 H ALA 21 -11.443 -2.187 6.145 139 HA ALA 21 HA ALA 21 -8.855 -2.726 6.853 140 HB1 ALA 21 1HB ALA 21 -9.657 0.119 7.014 141 HB2 ALA 21 2HB ALA 21 -8.349 -0.644 6.109 142 HB3 ALA 21 3HB ALA 21 -10.004 -0.732 5.509 143 H PHE 22 H PHE 22 -10.966 -0.475 8.652 144 HA PHE 22 HA PHE 22 -9.198 -0.500 10.921 145 HB2 PHE 22 1HB PHE 22 -11.814 0.831 10.291 146 HB3 PHE 22 2HB PHE 22 -11.198 0.824 11.941 147 HD1 PHE 22 2HD PHE 22 -8.358 1.209 11.629 148 HD2 PHE 22 1HD PHE 22 -11.573 2.961 9.459 149 HE1 PHE 22 2HE PHE 22 -6.943 3.153 11.108 150 HE2 PHE 22 1HE PHE 22 -10.163 4.908 8.934 151 HZ PHE 22 HZ PHE 22 -7.845 5.006 9.760 152 H ASP 23 H ASP 23 -9.160 -2.647 11.616 153 HA ASP 23 HA ASP 23 -11.652 -3.570 12.891 154 HB2 ASP 23 1HB ASP 23 -9.655 -5.035 11.235 155 HB3 ASP 23 2HB ASP 23 -10.384 -5.895 12.588 156 H GLU 24 H GLU 24 -11.554 -4.136 14.995 157 HA GLU 24 HA GLU 24 -9.322 -3.346 16.542 158 HB2 GLU 24 1HB GLU 24 -11.465 -3.210 17.557 159 HB3 GLU 24 2HB GLU 24 -11.822 -4.894 17.200 160 HG2 GLU 24 1HG GLU 24 -10.499 -5.681 18.913 161 HG3 GLU 24 2HG GLU 24 -9.521 -4.215 18.971 162 H LYS 25 H LYS 25 -7.984 -4.646 17.904 163 HA LYS 25 HA LYS 25 -6.374 -6.266 18.074 164 HB2 LYS 25 1HB LYS 25 -9.000 -7.706 18.130 165 HB3 LYS 25 2HB LYS 25 -7.504 -8.627 18.205 166 HG2 LYS 25 1HG LYS 25 -8.074 -6.361 20.086 167 HG3 LYS 25 2HG LYS 25 -8.608 -8.012 20.407 168 HD2 LYS 25 1HD LYS 25 -5.755 -7.545 19.685 169 HD3 LYS 25 2HD LYS 25 -6.297 -7.121 21.311 170 HE2 LYS 25 1HE LYS 25 -7.065 -9.374 21.690 171 HE3 LYS 25 2HE LYS 25 -6.702 -9.818 20.023 172 HZ1 LYS 25 1HZ LYS 25 -4.990 -9.824 22.270 173 HZ2 LYS 25 2HZ LYS 25 -4.367 -8.783 21.092 174 HZ3 LYS 25 3HZ LYS 25 -4.692 -10.398 20.706 175 H LYS 26 H LYS 26 -6.700 -5.375 15.414 176 HA LYS 26 HA LYS 26 -5.604 -7.667 14.020 177 HB2 LYS 26 1HB LYS 26 -7.903 -7.991 13.459 178 HB3 LYS 26 2HB LYS 26 -8.129 -6.280 13.123 179 HG2 LYS 26 1HG LYS 26 -8.016 -7.216 11.014 180 HG3 LYS 26 2HG LYS 26 -6.368 -6.639 11.274 181 HD2 LYS 26 1HD LYS 26 -6.381 -8.889 10.316 182 HD3 LYS 26 2HD LYS 26 -5.679 -8.888 11.935 183 HE2 LYS 26 1HE LYS 26 -8.593 -9.403 11.687 184 HE3 LYS 26 2HE LYS 26 -7.489 -10.677 11.171 185 HZ1 LYS 26 1HZ LYS 26 -6.799 -9.519 13.710 186 HZ2 LYS 26 2HZ LYS 26 -6.946 -11.145 13.269 187 HZ3 LYS 26 3HZ LYS 26 -8.319 -10.261 13.711 188 H ASN 27 H ASN 27 -3.842 -6.989 13.009 189 HA ASN 27 HA ASN 27 -3.481 -4.149 12.493 190 HB2 ASN 27 1HB ASN 27 -1.515 -6.409 12.074 191 HB3 ASN 27 2HB ASN 27 -1.151 -4.686 12.117 192 HD21 ASN 27 1HD2 ASN 27 -1.803 -7.521 13.958 193 HD22 ASN 27 2HD2 ASN 27 -1.487 -6.843 15.516 194 H VAL 28 H VAL 28 -4.757 -3.716 10.713 195 HA VAL 28 HA VAL 28 -4.308 -5.264 8.271 196 HB VAL 28 HB VAL 28 -6.313 -3.078 8.846 197 HG11 VAL 28 1HG1 VAL 28 -5.357 -3.923 6.384 198 HG12 VAL 28 2HG1 VAL 28 -6.876 -4.799 6.587 199 HG13 VAL 28 3HG1 VAL 28 -6.852 -3.038 6.686 200 HG21 VAL 28 1HG2 VAL 28 -7.082 -4.868 10.078 201 HG22 VAL 28 2HG2 VAL 28 -7.869 -5.150 8.525 202 HG23 VAL 28 3HG2 VAL 28 -6.422 -6.060 8.959 203 H PHE 29 H PHE 29 -2.868 -4.605 6.831 204 HA PHE 29 HA PHE 29 -1.979 -1.811 6.884 205 HB2 PHE 29 1HB PHE 29 -0.256 -3.577 7.139 206 HB3 PHE 29 2HB PHE 29 -0.689 -4.201 5.551 207 HD1 PHE 29 1HD PHE 29 -0.651 -0.610 6.217 208 HD2 PHE 29 2HD PHE 29 1.554 -3.918 4.697 209 HE1 PHE 29 1HE PHE 29 0.951 0.940 5.176 210 HE2 PHE 29 2HE PHE 29 3.159 -2.373 3.654 211 HZ PHE 29 HZ PHE 29 2.860 0.059 3.893 212 H VAL 30 H VAL 30 -3.360 -0.681 5.616 213 HA VAL 30 HA VAL 30 -4.278 -1.726 3.082 214 HB VAL 30 HB VAL 30 -4.647 1.058 4.193 215 HG11 VAL 30 1HG1 VAL 30 -5.842 -0.467 1.913 216 HG12 VAL 30 2HG1 VAL 30 -6.759 0.813 2.711 217 HG13 VAL 30 3HG1 VAL 30 -5.210 1.179 1.949 218 HG21 VAL 30 1HG2 VAL 30 -6.167 -1.483 4.655 219 HG22 VAL 30 2HG2 VAL 30 -5.615 -0.289 5.829 220 HG23 VAL 30 3HG2 VAL 30 -6.967 0.085 4.761 221 H GLU 31 H GLU 31 -4.023 -0.509 1.066 222 HA GLU 31 HA GLU 31 -1.598 1.127 0.923 223 HB2 GLU 31 1HB GLU 31 -0.652 -0.921 0.324 224 HB3 GLU 31 2HB GLU 31 -2.100 -1.454 -0.519 225 HG2 GLU 31 1HG GLU 31 -1.638 0.317 -2.232 226 HG3 GLU 31 2HG GLU 31 -0.086 0.577 -1.438 227 H PHE 32 H PHE 32 -2.453 2.994 0.238 228 HA PHE 32 HA PHE 32 -4.647 3.075 -1.625 229 HB2 PHE 32 1HB PHE 32 -2.952 5.285 -0.445 230 HB3 PHE 32 2HB PHE 32 -4.379 5.541 -1.443 231 HD1 PHE 32 1HD PHE 32 -6.603 5.031 -0.589 232 HD2 PHE 32 2HD PHE 32 -3.136 4.579 1.839 233 HE1 PHE 32 1HE PHE 32 -8.025 4.928 1.417 234 HE2 PHE 32 2HE PHE 32 -4.552 4.475 3.848 235 HZ PHE 32 HZ PHE 32 -7.000 4.648 3.638 236 H TYR 33 H TYR 33 -4.062 2.332 -3.607 237 HA TYR 33 HA TYR 33 -1.709 3.538 -4.891 238 HB2 TYR 33 1HB TYR 33 -1.736 1.680 -6.429 239 HB3 TYR 33 2HB TYR 33 -1.833 1.048 -4.789 240 HD1 TYR 33 2HD TYR 33 -3.882 1.843 -7.782 241 HD2 TYR 33 1HD TYR 33 -3.606 -0.353 -4.148 242 HE1 TYR 33 2HE TYR 33 -5.907 0.588 -8.393 243 HE2 TYR 33 1HE TYR 33 -5.630 -1.614 -4.750 244 HH TYR 33 HH TYR 33 -6.788 -2.204 -7.140 245 H ALA 34 H ALA 34 -2.017 3.727 -7.370 246 HA ALA 34 HA ALA 34 -4.672 4.862 -7.949 247 HB1 ALA 34 1HB ALA 34 -3.831 6.830 -8.741 248 HB2 ALA 34 2HB ALA 34 -2.640 6.483 -7.487 249 HB3 ALA 34 3HB ALA 34 -2.274 6.121 -9.173 250 HA PRO 35 HA PRO 35 -4.503 2.216 -11.481 251 HB2 PRO 35 1HB PRO 35 -6.532 3.345 -12.889 252 HB3 PRO 35 2HB PRO 35 -6.798 2.324 -11.470 253 HG2 PRO 35 1HG PRO 35 -6.790 5.310 -11.680 254 HG3 PRO 35 2HG PRO 35 -7.905 4.254 -10.794 255 HD2 PRO 35 1HD PRO 35 -5.878 5.577 -9.581 256 HD3 PRO 35 2HD PRO 35 -6.450 3.991 -9.026 257 H TRP 36 H TRP 36 -3.696 5.486 -11.451 258 HA TRP 36 HA TRP 36 -2.828 5.370 -14.266 259 HB2 TRP 36 1HB TRP 36 -2.784 8.011 -13.809 260 HB3 TRP 36 2HB TRP 36 -4.218 7.173 -14.395 261 HD1 TRP 36 HD TRP 36 -6.287 6.983 -12.755 262 HE1 TRP 36 1HE TRP 36 -6.862 8.131 -10.524 263 HE3 TRP 36 3HE TRP 36 -1.689 8.912 -11.629 264 HZ2 TRP 36 2HZ TRP 36 -5.540 9.654 -8.549 265 HZ3 TRP 36 3HZ TRP 36 -1.429 10.203 -9.550 266 HH2 TRP 36 HH TRP 36 -3.316 10.565 -8.043 267 H CYS 37 H CYS 37 -2.015 6.469 -11.005 268 HA CYS 37 HA CYS 37 0.451 7.602 -11.410 269 HB2 CYS 37 1HB CYS 37 -0.761 7.424 -9.223 270 HB3 CYS 37 2HB CYS 37 -0.226 5.751 -9.117 271 HG CYS 37 HG CYS 37 1.855 6.395 -7.770 272 H GLY 38 H GLY 38 2.135 6.870 -12.521 273 HA2 GLY 38 1HA GLY 38 2.560 4.267 -13.371 274 HA3 GLY 38 2HA GLY 38 3.817 5.490 -13.253 275 H HIS 39 H HIS 39 4.267 5.906 -10.700 276 HA HIS 39 HA HIS 39 5.832 3.838 -9.824 277 HB2 HIS 39 1HB HIS 39 4.396 5.917 -8.164 278 HB3 HIS 39 2HB HIS 39 5.683 4.881 -7.555 279 HD1 HIS 39 1HD HIS 39 7.987 5.772 -7.786 280 HD2 HIS 39 2HD HIS 39 5.329 7.635 -10.379 281 HE1 HIS 39 1HE HIS 39 9.302 7.609 -8.891 282 HE2 HIS 39 2HE HIS 39 7.651 8.776 -10.393 283 H CYS 40 H CYS 40 2.411 4.377 -9.176 284 HA CYS 40 HA CYS 40 2.112 2.326 -7.247 285 HB2 CYS 40 1HB CYS 40 0.150 3.735 -9.054 286 HB3 CYS 40 2HB CYS 40 -0.347 2.500 -7.903 287 HG CYS 40 HG CYS 40 0.104 3.892 -5.663 288 H LYS 41 H LYS 41 1.706 2.411 -10.758 289 HA LYS 41 HA LYS 41 0.579 -0.075 -11.189 290 HB2 LYS 41 1HB LYS 41 2.674 1.292 -12.888 291 HB3 LYS 41 2HB LYS 41 1.601 0.005 -13.421 292 HG2 LYS 41 1HG LYS 41 -0.328 1.494 -12.957 293 HG3 LYS 41 2HG LYS 41 0.814 2.788 -12.586 294 HD2 LYS 41 1HD LYS 41 1.639 2.816 -14.812 295 HD3 LYS 41 2HD LYS 41 0.811 1.309 -15.209 296 HE2 LYS 41 1HE LYS 41 -1.277 2.334 -15.284 297 HE3 LYS 41 2HE LYS 41 -0.738 3.719 -14.336 298 HZ1 LYS 41 1HZ LYS 41 0.085 3.109 -17.124 299 HZ2 LYS 41 2HZ LYS 41 0.600 4.439 -16.215 300 HZ3 LYS 41 3HZ LYS 41 -1.026 4.299 -16.662 301 H GLN 42 H GLN 42 3.770 0.714 -10.138 302 HA GLN 42 HA GLN 42 4.842 -1.908 -10.773 303 HB2 GLN 42 1HB GLN 42 6.029 0.485 -9.365 304 HB3 GLN 42 2HB GLN 42 6.893 -1.025 -9.618 305 HG2 GLN 42 1HG GLN 42 5.688 0.372 -11.955 306 HG3 GLN 42 2HG GLN 42 7.191 0.977 -11.262 307 HE21 GLN 42 1HE2 GLN 42 5.644 -1.768 -12.787 308 HE22 GLN 42 2HE2 GLN 42 7.097 -2.531 -13.327 309 H LEU 43 H LEU 43 3.292 -0.314 -8.157 310 HA LEU 43 HA LEU 43 4.286 -2.116 -6.126 311 HB2 LEU 43 1HB LEU 43 3.572 0.341 -5.836 312 HB3 LEU 43 2HB LEU 43 1.927 -0.290 -5.827 313 HG LEU 43 HG LEU 43 2.582 -1.721 -3.875 314 HD11 LEU 43 1HD1 LEU 43 4.738 -0.214 -2.892 315 HD12 LEU 43 2HD1 LEU 43 5.165 -0.682 -4.538 316 HD13 LEU 43 3HD1 LEU 43 4.727 -1.916 -3.356 317 HD21 LEU 43 1HD2 LEU 43 2.610 0.201 -2.264 318 HD22 LEU 43 2HD2 LEU 43 1.315 0.250 -3.461 319 HD23 LEU 43 3HD2 LEU 43 2.735 1.279 -3.655 320 H ALA 44 H ALA 44 1.780 -2.096 -8.430 321 HA ALA 44 HA ALA 44 -0.304 -3.444 -7.241 322 HB1 ALA 44 1HB ALA 44 -1.089 -3.388 -9.314 323 HB2 ALA 44 2HB ALA 44 0.491 -2.833 -9.871 324 HB3 ALA 44 3HB ALA 44 0.123 -4.557 -9.839 325 HA PRO 45 HA PRO 45 1.887 -7.649 -8.231 326 HB2 PRO 45 1HB PRO 45 4.531 -7.539 -8.835 327 HB3 PRO 45 2HB PRO 45 3.261 -7.442 -10.060 328 HG2 PRO 45 1HG PRO 45 4.839 -5.238 -8.790 329 HG3 PRO 45 2HG PRO 45 4.394 -5.458 -10.492 330 HD2 PRO 45 1HD PRO 45 3.063 -3.771 -8.844 331 HD3 PRO 45 2HD PRO 45 2.264 -4.638 -10.171 332 H ILE 46 H ILE 46 4.321 -5.363 -6.964 333 HA ILE 46 HA ILE 46 5.449 -7.032 -5.053 334 HB ILE 46 HB ILE 46 5.088 -4.039 -4.862 335 HG12 ILE 46 1HG1 ILE 46 7.634 -5.337 -5.716 336 HG13 ILE 46 2HG1 ILE 46 6.322 -5.244 -6.887 337 HG21 ILE 46 1HG2 ILE 46 5.872 -4.403 -2.788 338 HG22 ILE 46 2HG2 ILE 46 6.460 -6.017 -3.183 339 HG23 ILE 46 3HG2 ILE 46 7.422 -4.600 -3.606 340 HD11 ILE 46 1HD1 ILE 46 6.467 -2.697 -5.799 341 HD12 ILE 46 2HD1 ILE 46 8.146 -3.202 -5.998 342 HD13 ILE 46 3HD1 ILE 46 7.051 -3.215 -7.380 343 H TRP 47 H TRP 47 2.595 -4.967 -4.845 344 HA TRP 47 HA TRP 47 2.168 -5.365 -2.059 345 HB2 TRP 47 1HB TRP 47 1.250 -3.466 -3.467 346 HB3 TRP 47 2HB TRP 47 0.075 -4.615 -4.102 347 HD1 TRP 47 HD TRP 47 -2.144 -4.673 -2.837 348 HE1 TRP 47 1HE TRP 47 -2.954 -3.978 -0.495 349 HE3 TRP 47 3HE TRP 47 2.333 -3.254 -0.818 350 HZ2 TRP 47 2HZ TRP 47 -1.842 -2.962 1.893 351 HZ3 TRP 47 3HZ TRP 47 2.373 -2.432 1.501 352 HH2 TRP 47 HH TRP 47 0.328 -2.289 2.826 353 H ASP 48 H ASP 48 1.117 -7.017 -4.971 354 HA ASP 48 HA ASP 48 -0.813 -8.672 -3.659 355 HB2 ASP 48 1HB ASP 48 -1.270 -8.478 -5.919 356 HB3 ASP 48 2HB ASP 48 0.427 -8.588 -6.378 357 H LYS 49 H LYS 49 2.604 -8.857 -4.279 358 HA LYS 49 HA LYS 49 2.848 -11.665 -3.763 359 HB2 LYS 49 1HB LYS 49 4.792 -9.396 -4.058 360 HB3 LYS 49 2HB LYS 49 5.338 -10.966 -3.485 361 HG2 LYS 49 1HG LYS 49 5.013 -11.975 -5.505 362 HG3 LYS 49 2HG LYS 49 3.723 -10.866 -5.976 363 HD2 LYS 49 1HD LYS 49 5.447 -10.188 -7.352 364 HD3 LYS 49 2HD LYS 49 5.634 -9.090 -5.983 365 HE2 LYS 49 1HE LYS 49 7.800 -9.812 -6.299 366 HE3 LYS 49 2HE LYS 49 7.226 -10.942 -5.073 367 HZ1 LYS 49 1HZ LYS 49 6.790 -12.557 -6.814 368 HZ2 LYS 49 2HZ LYS 49 8.413 -12.081 -6.840 369 HZ3 LYS 49 3HZ LYS 49 7.335 -11.473 -7.993 370 H LEU 50 H LEU 50 2.816 -8.778 -1.843 371 HA LEU 50 HA LEU 50 3.931 -10.086 0.493 372 HB2 LEU 50 1HB LEU 50 4.573 -7.902 0.538 373 HB3 LEU 50 2HB LEU 50 3.091 -7.337 -0.230 374 HG LEU 50 HG LEU 50 1.952 -7.838 2.005 375 HD11 LEU 50 1HD1 LEU 50 3.281 -8.988 3.405 376 HD12 LEU 50 2HD1 LEU 50 3.921 -7.394 3.801 377 HD13 LEU 50 3HD1 LEU 50 4.764 -8.418 2.639 378 HD21 LEU 50 1HD2 LEU 50 4.023 -5.660 2.097 379 HD22 LEU 50 2HD2 LEU 50 2.406 -5.667 2.802 380 HD23 LEU 50 3HD2 LEU 50 2.605 -5.580 1.051 381 H GLY 51 H GLY 51 0.794 -9.037 -0.714 382 HA2 GLY 51 1HA GLY 51 -0.709 -9.368 1.626 383 HA3 GLY 51 2HA GLY 51 -1.340 -9.500 -0.010 384 H GLU 52 H GLU 52 0.102 -11.711 -0.912 385 HA GLU 52 HA GLU 52 -1.464 -13.824 0.088 386 HB2 GLU 52 1HB GLU 52 -0.310 -15.223 -1.427 387 HB3 GLU 52 2HB GLU 52 -0.381 -13.647 -2.202 388 HG2 GLU 52 1HG GLU 52 1.875 -13.239 -1.879 389 HG3 GLU 52 2HG GLU 52 2.007 -14.433 -0.588 390 H THR 53 H THR 53 1.612 -12.558 1.040 391 HA THR 53 HA THR 53 2.573 -14.854 2.415 392 HB THR 53 HB THR 53 3.276 -11.936 2.788 393 HG1 THR 53 1HG THR 53 3.766 -12.887 0.710 394 HG21 THR 53 1HG2 THR 53 3.921 -13.085 4.776 395 HG22 THR 53 2HG2 THR 53 5.376 -12.890 3.799 396 HG23 THR 53 3HG2 THR 53 4.555 -14.449 3.855 397 H TYR 54 H TYR 54 0.574 -12.110 3.328 398 HA TYR 54 HA TYR 54 0.222 -13.327 5.990 399 HB2 TYR 54 1HB TYR 54 -0.073 -10.410 5.244 400 HB3 TYR 54 2HB TYR 54 -0.272 -11.094 6.853 401 HD1 TYR 54 2HD TYR 54 2.209 -10.500 4.162 402 HD2 TYR 54 1HD TYR 54 1.583 -11.408 8.272 403 HE1 TYR 54 2HE TYR 54 4.606 -10.159 4.597 404 HE2 TYR 54 1HE TYR 54 3.978 -11.067 8.718 405 HH TYR 54 HH TYR 54 6.145 -11.192 7.331 406 H LYS 55 H LYS 55 -1.234 -13.957 3.546 407 HA LYS 55 HA LYS 55 -3.812 -12.708 3.706 408 HB2 LYS 55 1HB LYS 55 -4.456 -14.152 1.937 409 HB3 LYS 55 2HB LYS 55 -2.783 -13.712 1.621 410 HG2 LYS 55 1HG LYS 55 -2.099 -15.873 2.668 411 HG3 LYS 55 2HG LYS 55 -3.808 -16.310 2.738 412 HD2 LYS 55 1HD LYS 55 -3.979 -16.555 0.466 413 HD3 LYS 55 2HD LYS 55 -2.686 -15.400 0.135 414 HE2 LYS 55 1HE LYS 55 -1.015 -16.992 0.772 415 HE3 LYS 55 2HE LYS 55 -2.239 -18.119 1.356 416 HZ1 LYS 55 1HZ LYS 55 -1.405 -17.533 -1.378 417 HZ2 LYS 55 2HZ LYS 55 -3.045 -17.863 -1.134 418 HZ3 LYS 55 3HZ LYS 55 -1.878 -19.000 -0.682 419 H ASP 56 H ASP 56 -2.287 -15.497 5.104 420 HA ASP 56 HA ASP 56 -4.849 -16.241 6.358 421 HB2 ASP 56 1HB ASP 56 -3.545 -17.897 4.778 422 HB3 ASP 56 2HB ASP 56 -2.555 -18.156 6.212 423 H HIS 57 H HIS 57 -2.722 -14.277 7.169 424 HA HIS 57 HA HIS 57 -1.308 -15.328 9.385 425 HB2 HIS 57 1HB HIS 57 -1.169 -13.007 8.010 426 HB3 HIS 57 2HB HIS 57 -2.051 -12.460 9.434 427 HD1 HIS 57 1HD HIS 57 -0.775 -12.371 11.655 428 HD2 HIS 57 2HD HIS 57 1.490 -13.813 8.485 429 HE1 HIS 57 1HE HIS 57 1.599 -12.402 12.484 430 HE2 HIS 57 2HE HIS 57 2.962 -13.198 10.521 431 H GLU 58 H GLU 58 -1.726 -13.891 11.571 432 HA GLU 58 HA GLU 58 -4.422 -14.700 12.398 433 HB2 GLU 58 1HB GLU 58 -3.610 -15.003 14.555 434 HB3 GLU 58 2HB GLU 58 -2.249 -15.504 13.562 435 HG2 GLU 58 1HG GLU 58 -1.225 -13.298 13.873 436 HG3 GLU 58 2HG GLU 58 -2.577 -12.830 14.902 437 H ASN 59 H ASN 59 -2.113 -12.021 12.787 438 HA ASN 59 HA ASN 59 -4.402 -10.251 13.346 439 HB2 ASN 59 1HB ASN 59 -2.943 -8.861 14.670 440 HB3 ASN 59 2HB ASN 59 -2.783 -10.522 15.233 441 HD21 ASN 59 1HD2 ASN 59 -0.858 -11.565 15.031 442 HD22 ASN 59 2HD2 ASN 59 0.589 -10.801 14.479 443 H ILE 60 H ILE 60 -1.569 -10.809 11.424 444 HA ILE 60 HA ILE 60 -1.573 -8.179 10.229 445 HB ILE 60 HB ILE 60 -0.080 -10.652 9.347 446 HG12 ILE 60 1HG1 ILE 60 0.699 -8.417 11.227 447 HG13 ILE 60 2HG1 ILE 60 0.570 -10.132 11.606 448 HG21 ILE 60 1HG2 ILE 60 0.584 -9.434 7.617 449 HG22 ILE 60 2HG2 ILE 60 -0.387 -8.074 8.180 450 HG23 ILE 60 3HG2 ILE 60 1.281 -8.252 8.725 451 HD11 ILE 60 1HD1 ILE 60 2.723 -10.339 11.169 452 HD12 ILE 60 2HD1 ILE 60 2.397 -9.920 9.486 453 HD13 ILE 60 3HD1 ILE 60 2.813 -8.657 10.645 454 H VAL 61 H VAL 61 -3.061 -7.614 8.793 455 HA VAL 61 HA VAL 61 -3.877 -9.584 6.764 456 HB VAL 61 HB VAL 61 -5.614 -7.841 8.463 457 HG11 VAL 61 1HG1 VAL 61 -7.445 -8.338 6.739 458 HG12 VAL 61 2HG1 VAL 61 -6.307 -7.038 6.379 459 HG13 VAL 61 3HG1 VAL 61 -6.120 -8.613 5.608 460 HG21 VAL 61 1HG2 VAL 61 -6.001 -10.628 7.378 461 HG22 VAL 61 2HG2 VAL 61 -5.294 -10.255 8.950 462 HG23 VAL 61 3HG2 VAL 61 -6.970 -9.825 8.614 463 H ILE 62 H ILE 62 -2.969 -8.858 4.945 464 HA ILE 62 HA ILE 62 -2.532 -6.067 4.442 465 HB ILE 62 HB ILE 62 -2.228 -8.431 2.586 466 HG12 ILE 62 1HG1 ILE 62 -0.793 -8.481 4.630 467 HG13 ILE 62 2HG1 ILE 62 0.123 -8.359 3.132 468 HG21 ILE 62 1HG2 ILE 62 -2.493 -6.312 1.390 469 HG22 ILE 62 2HG2 ILE 62 -1.175 -5.617 2.331 470 HG23 ILE 62 3HG2 ILE 62 -0.858 -6.949 1.221 471 HD11 ILE 62 1HD1 ILE 62 0.428 -5.976 3.504 472 HD12 ILE 62 2HD1 ILE 62 -0.514 -6.081 4.991 473 HD13 ILE 62 3HD1 ILE 62 1.033 -6.918 4.866 474 H ALA 63 H ALA 63 -3.553 -4.741 2.973 475 HA ALA 63 HA ALA 63 -5.775 -5.757 1.403 476 HB1 ALA 63 1HB ALA 63 -7.432 -5.057 2.700 477 HB2 ALA 63 2HB ALA 63 -6.247 -4.652 3.944 478 HB3 ALA 63 3HB ALA 63 -6.743 -3.435 2.768 479 H LYS 64 H LYS 64 -6.483 -4.306 -0.223 480 HA LYS 64 HA LYS 64 -4.768 -1.946 -0.614 481 HB2 LYS 64 1HB LYS 64 -4.611 -2.435 -2.983 482 HB3 LYS 64 2HB LYS 64 -4.026 -3.812 -2.059 483 HG2 LYS 64 1HG LYS 64 -6.051 -5.024 -2.461 484 HG3 LYS 64 2HG LYS 64 -6.798 -3.613 -3.215 485 HD2 LYS 64 1HD LYS 64 -4.966 -3.696 -4.937 486 HD3 LYS 64 2HD LYS 64 -4.484 -5.246 -4.246 487 HE2 LYS 64 1HE LYS 64 -6.794 -6.076 -4.671 488 HE3 LYS 64 2HE LYS 64 -7.139 -4.559 -5.500 489 HZ1 LYS 64 1HZ LYS 64 -5.149 -5.137 -6.941 490 HZ2 LYS 64 2HZ LYS 64 -6.555 -6.047 -7.179 491 HZ3 LYS 64 3HZ LYS 64 -5.264 -6.699 -6.301 492 H MET 65 H MET 65 -5.762 -0.122 -1.315 493 HA MET 65 HA MET 65 -8.562 -0.308 -2.176 494 HB2 MET 65 1HB MET 65 -8.349 0.273 0.286 495 HB3 MET 65 2HB MET 65 -7.599 1.780 -0.223 496 HG2 MET 65 1HG MET 65 -9.578 2.507 -1.298 497 HG3 MET 65 2HG MET 65 -10.322 0.917 -1.147 498 HE1 MET 65 1HE MET 65 -9.922 4.308 0.081 499 HE2 MET 65 2HE MET 65 -11.638 3.922 -0.046 500 HE3 MET 65 3HE MET 65 -10.946 4.359 1.517 501 H ASP 66 H ASP 66 -9.218 1.231 -3.649 502 HA ASP 66 HA ASP 66 -7.055 2.693 -4.951 503 HB2 ASP 66 1HB ASP 66 -8.468 1.321 -6.379 504 HB3 ASP 66 2HB ASP 66 -9.907 2.163 -5.810 505 H SER 67 H SER 67 -6.677 4.563 -3.885 506 HA SER 67 HA SER 67 -8.628 6.149 -2.622 507 HB2 SER 67 1HB SER 67 -5.991 6.144 -2.457 508 HB3 SER 67 2HB SER 67 -6.127 7.391 -3.696 509 HG SER 67 HG SER 67 -7.883 8.074 -1.938 510 H THR 68 H THR 68 -7.658 5.877 -5.915 511 HA THR 68 HA THR 68 -8.719 8.440 -6.720 512 HB THR 68 HB THR 68 -7.996 7.957 -8.882 513 HG1 THR 68 1HG THR 68 -8.739 6.085 -9.575 514 HG21 THR 68 1HG2 THR 68 -6.186 7.869 -7.025 515 HG22 THR 68 2HG2 THR 68 -5.760 7.356 -8.658 516 HG23 THR 68 3HG2 THR 68 -6.106 6.152 -7.417 517 H ALA 69 H ALA 69 -9.967 5.333 -6.129 518 HA ALA 69 HA ALA 69 -12.383 5.930 -7.706 519 HB1 ALA 69 1HB ALA 69 -12.823 3.422 -7.355 520 HB2 ALA 69 2HB ALA 69 -11.577 3.897 -8.510 521 HB3 ALA 69 3HB ALA 69 -11.120 3.333 -6.903 522 H ASN 70 H ASN 70 -11.109 5.551 -4.558 523 HA ASN 70 HA ASN 70 -13.806 5.833 -3.439 524 HB2 ASN 70 1HB ASN 70 -11.685 3.990 -2.314 525 HB3 ASN 70 2HB ASN 70 -13.277 4.284 -1.620 526 HD21 ASN 70 1HD2 ASN 70 -11.460 2.536 -3.916 527 HD22 ASN 70 2HD2 ASN 70 -12.758 1.606 -4.577 528 H GLU 71 H GLU 71 -13.952 7.490 -2.074 529 HA GLU 71 HA GLU 71 -11.462 8.553 -0.909 530 HB2 GLU 71 1HB GLU 71 -13.795 9.902 -2.178 531 HB3 GLU 71 2HB GLU 71 -13.016 10.714 -0.828 532 HG2 GLU 71 1HG GLU 71 -11.037 11.012 -1.970 533 HG3 GLU 71 2HG GLU 71 -11.364 9.690 -3.089 534 H VAL 72 H VAL 72 -11.346 8.595 1.236 535 HA VAL 72 HA VAL 72 -13.844 8.570 2.792 536 HB VAL 72 HB VAL 72 -12.640 7.096 4.458 537 HG11 VAL 72 1HG1 VAL 72 -13.185 5.042 3.279 538 HG12 VAL 72 2HG1 VAL 72 -14.406 6.275 2.960 539 HG13 VAL 72 3HG1 VAL 72 -13.186 5.903 1.741 540 HG21 VAL 72 1HG2 VAL 72 -10.820 5.685 3.520 541 HG22 VAL 72 2HG2 VAL 72 -10.770 6.751 2.116 542 HG23 VAL 72 3HG2 VAL 72 -10.371 7.379 3.715 543 H GLU 73 H GLU 73 -13.862 9.789 4.632 544 HA GLU 73 HA GLU 73 -11.893 11.838 4.867 545 HB2 GLU 73 1HB GLU 73 -13.235 12.671 6.703 546 HB3 GLU 73 2HB GLU 73 -14.285 12.201 5.374 547 HG2 GLU 73 1HG GLU 73 -15.040 10.293 6.490 548 HG3 GLU 73 2HG GLU 73 -13.716 10.342 7.652 549 H ALA 74 H ALA 74 -12.424 8.769 6.394 550 HA ALA 74 HA ALA 74 -10.968 9.134 8.762 551 HB1 ALA 74 1HB ALA 74 -11.092 6.547 7.235 552 HB2 ALA 74 2HB ALA 74 -10.966 6.787 8.978 553 HB3 ALA 74 3HB ALA 74 -12.465 7.186 8.140 554 H VAL 75 H VAL 75 -9.900 9.265 5.596 555 HA VAL 75 HA VAL 75 -7.146 9.363 6.419 556 HB VAL 75 HB VAL 75 -8.133 7.111 4.689 557 HG11 VAL 75 1HG1 VAL 75 -5.645 6.715 4.247 558 HG12 VAL 75 2HG1 VAL 75 -6.445 7.986 3.321 559 HG13 VAL 75 3HG1 VAL 75 -5.424 8.405 4.697 560 HG21 VAL 75 1HG2 VAL 75 -7.913 6.274 6.807 561 HG22 VAL 75 2HG2 VAL 75 -6.276 6.009 6.205 562 HG23 VAL 75 3HG2 VAL 75 -6.622 7.396 7.237 563 H LYS 76 H LYS 76 -6.232 10.963 5.323 564 HA LYS 76 HA LYS 76 -7.418 11.763 2.754 565 HB2 LYS 76 1HB LYS 76 -5.856 13.301 4.825 566 HB3 LYS 76 2HB LYS 76 -6.164 13.935 3.214 567 HG2 LYS 76 1HG LYS 76 -8.377 13.026 5.027 568 HG3 LYS 76 2HG LYS 76 -7.733 14.669 5.064 569 HD2 LYS 76 1HD LYS 76 -8.307 14.969 2.721 570 HD3 LYS 76 2HD LYS 76 -8.885 13.304 2.630 571 HE2 LYS 76 1HE LYS 76 -10.525 13.911 4.454 572 HE3 LYS 76 2HE LYS 76 -10.054 15.591 4.200 573 HZ1 LYS 76 1HZ LYS 76 -11.867 15.394 2.832 574 HZ2 LYS 76 2HZ LYS 76 -11.535 13.789 2.412 575 HZ3 LYS 76 3HZ LYS 76 -10.619 15.045 1.743 576 H VAL 77 H VAL 77 -6.345 10.896 1.097 577 HA VAL 77 HA VAL 77 -3.416 10.699 1.247 578 HB VAL 77 HB VAL 77 -5.210 9.383 -0.790 579 HG11 VAL 77 1HG1 VAL 77 -3.201 7.841 -0.937 580 HG12 VAL 77 2HG1 VAL 77 -2.992 9.468 -1.588 581 HG13 VAL 77 3HG1 VAL 77 -2.325 9.057 -0.008 582 HG21 VAL 77 1HG2 VAL 77 -5.843 8.600 1.423 583 HG22 VAL 77 2HG2 VAL 77 -4.988 7.332 0.545 584 HG23 VAL 77 3HG2 VAL 77 -4.157 8.250 1.801 585 H HIS 78 H HIS 78 -2.407 12.387 0.380 586 HA HIS 78 HA HIS 78 -3.563 13.650 -2.013 587 HB2 HIS 78 1HB HIS 78 -1.517 14.813 -0.115 588 HB3 HIS 78 2HB HIS 78 -2.344 15.656 -1.422 589 HD1 HIS 78 1HD HIS 78 -2.437 16.497 1.622 590 HD2 HIS 78 2HD HIS 78 -5.369 14.368 -0.410 591 HE1 HIS 78 1HE HIS 78 -4.564 16.891 2.904 592 HE2 HIS 78 2HE HIS 78 -6.307 15.523 1.705 593 H SER 79 H SER 79 -1.829 11.213 -1.821 594 HA SER 79 HA SER 79 -0.160 11.780 -4.047 595 HB2 SER 79 1HB SER 79 1.063 11.755 -1.326 596 HB3 SER 79 2HB SER 79 1.953 10.981 -2.637 597 HG SER 79 HG SER 79 2.374 13.284 -2.290 598 H PHE 80 H PHE 80 1.240 9.840 -4.592 599 HA PHE 80 HA PHE 80 0.573 7.333 -3.367 600 HB2 PHE 80 1HB PHE 80 -0.341 7.659 -6.218 601 HB3 PHE 80 2HB PHE 80 -0.697 6.348 -5.099 602 HD1 PHE 80 1HD PHE 80 -2.285 6.714 -3.237 603 HD2 PHE 80 2HD PHE 80 -1.661 9.622 -6.282 604 HE1 PHE 80 1HE PHE 80 -4.388 7.824 -2.603 605 HE2 PHE 80 2HE PHE 80 -3.762 10.738 -5.652 606 HZ PHE 80 HZ PHE 80 -5.127 9.839 -3.810 607 HA PRO 81 HA PRO 81 0.596 5.136 -4.180 608 HB2 PRO 81 1HB PRO 81 2.356 3.347 -3.144 609 HB3 PRO 81 2HB PRO 81 1.847 3.325 -4.837 610 HG2 PRO 81 1HG PRO 81 4.345 4.444 -3.624 611 HG3 PRO 81 2HG PRO 81 4.151 3.492 -5.108 612 HD2 PRO 81 1HD PRO 81 4.443 6.184 -5.132 613 HD3 PRO 81 2HD PRO 81 3.472 5.318 -6.340 614 H THR 82 H THR 82 -0.171 4.969 -2.110 615 HA THR 82 HA THR 82 1.498 6.098 0.039 616 HB THR 82 HB THR 82 -1.409 6.652 -0.542 617 HG1 THR 82 1HG THR 82 -0.339 8.860 -0.054 618 HG21 THR 82 1HG2 THR 82 -1.088 6.097 1.862 619 HG22 THR 82 2HG2 THR 82 -1.576 7.770 1.589 620 HG23 THR 82 3HG2 THR 82 0.105 7.391 1.963 621 H LEU 83 H LEU 83 1.739 4.796 1.731 622 HA LEU 83 HA LEU 83 -0.177 2.585 2.075 623 HB2 LEU 83 1HB LEU 83 2.637 2.639 3.125 624 HB3 LEU 83 2HB LEU 83 1.562 1.253 2.957 625 HG LEU 83 HG LEU 83 2.806 2.774 0.666 626 HD11 LEU 83 1HD1 LEU 83 3.563 0.204 2.028 627 HD12 LEU 83 2HD1 LEU 83 4.560 1.631 1.754 628 HD13 LEU 83 3HD1 LEU 83 4.087 0.613 0.395 629 HD21 LEU 83 1HD2 LEU 83 2.051 0.421 -0.363 630 HD22 LEU 83 2HD2 LEU 83 1.019 1.852 -0.370 631 HD23 LEU 83 3HD2 LEU 83 0.800 0.613 0.866 632 H LYS 84 H LYS 84 -0.985 2.127 4.101 633 HA LYS 84 HA LYS 84 -0.164 3.806 6.347 634 HB2 LYS 84 1HB LYS 84 -3.034 3.574 5.421 635 HB3 LYS 84 2HB LYS 84 -2.490 4.396 6.878 636 HG2 LYS 84 1HG LYS 84 -1.011 5.727 5.132 637 HG3 LYS 84 2HG LYS 84 -2.308 5.235 4.040 638 HD2 LYS 84 1HD LYS 84 -3.935 6.176 5.700 639 HD3 LYS 84 2HD LYS 84 -2.556 6.826 6.590 640 HE2 LYS 84 1HE LYS 84 -1.954 7.791 4.192 641 HE3 LYS 84 2HE LYS 84 -3.698 7.646 3.972 642 HZ1 LYS 84 1HZ LYS 84 -2.987 9.834 4.822 643 HZ2 LYS 84 2HZ LYS 84 -2.413 9.087 6.227 644 HZ3 LYS 84 3HZ LYS 84 -4.064 9.043 5.861 645 H PHE 85 H PHE 85 0.097 2.588 8.091 646 HA PHE 85 HA PHE 85 -1.044 -0.095 8.135 647 HB2 PHE 85 1HB PHE 85 1.305 0.007 8.619 648 HB3 PHE 85 2HB PHE 85 1.056 1.253 9.837 649 HD1 PHE 85 1HD PHE 85 0.195 0.700 12.028 650 HD2 PHE 85 2HD PHE 85 0.813 -2.310 9.084 651 HE1 PHE 85 1HE PHE 85 0.005 -1.032 13.765 652 HE2 PHE 85 2HE PHE 85 0.624 -4.048 10.815 653 HZ PHE 85 HZ PHE 85 0.218 -3.410 13.159 654 H PHE 86 H PHE 86 -2.744 -0.640 9.332 655 HA PHE 86 HA PHE 86 -3.764 1.317 11.267 656 HB2 PHE 86 1HB PHE 86 -5.180 -1.014 9.955 657 HB3 PHE 86 2HB PHE 86 -5.921 0.168 11.030 658 HD1 PHE 86 1HD PHE 86 -3.838 2.230 9.470 659 HD2 PHE 86 2HD PHE 86 -7.151 -0.256 8.488 660 HE1 PHE 86 1HE PHE 86 -4.341 3.669 7.539 661 HE2 PHE 86 2HE PHE 86 -7.659 1.179 6.555 662 HZ PHE 86 HZ PHE 86 -6.253 3.144 6.078 663 HA PRO 87 HA PRO 87 -2.194 -1.627 14.293 664 HB2 PRO 87 1HB PRO 87 -2.515 0.043 16.410 665 HB3 PRO 87 2HB PRO 87 -1.142 0.149 15.302 666 HG2 PRO 87 1HG PRO 87 -3.657 1.773 15.364 667 HG3 PRO 87 2HG PRO 87 -1.985 2.308 15.112 668 HD2 PRO 87 1HD PRO 87 -3.730 1.971 13.069 669 HD3 PRO 87 2HD PRO 87 -1.986 1.685 12.893 670 H ALA 88 H ALA 88 -3.154 -2.878 15.904 671 HA ALA 88 HA ALA 88 -5.937 -3.257 15.729 672 HB1 ALA 88 1HB ALA 88 -5.296 -4.533 18.036 673 HB2 ALA 88 2HB ALA 88 -5.062 -5.206 16.422 674 HB3 ALA 88 3HB ALA 88 -3.718 -4.425 17.254 675 H SER 89 H SER 89 -6.578 -0.986 16.138 676 HA SER 89 HA SER 89 -7.009 -0.562 19.017 677 HB2 SER 89 1HB SER 89 -5.403 1.083 18.588 678 HB3 SER 89 2HB SER 89 -6.019 1.399 16.966 679 HG SER 89 HG SER 89 -7.053 2.976 17.883 680 H ALA 90 H ALA 90 -9.052 -0.106 19.589 681 HA ALA 90 HA ALA 90 -11.200 -0.543 17.905 682 HB1 ALA 90 1HB ALA 90 -10.855 0.620 20.597 683 HB2 ALA 90 2HB ALA 90 -12.371 0.986 19.773 684 HB3 ALA 90 3HB ALA 90 -11.900 -0.691 20.049 685 H ASP 91 H ASP 91 -9.350 2.347 18.396 686 HA ASP 91 HA ASP 91 -11.307 4.087 17.175 687 HB2 ASP 91 1HB ASP 91 -8.406 4.703 17.746 688 HB3 ASP 91 2HB ASP 91 -9.722 5.851 17.520 689 H ARG 92 H ARG 92 -10.285 5.622 15.398 690 HA ARG 92 HA ARG 92 -9.577 3.850 13.195 691 HB2 ARG 92 1HB ARG 92 -10.154 6.802 13.007 692 HB3 ARG 92 2HB ARG 92 -10.268 5.590 11.738 693 HG2 ARG 92 1HG ARG 92 -11.997 5.276 14.132 694 HG3 ARG 92 2HG ARG 92 -12.405 6.528 12.957 695 HD2 ARG 92 1HD ARG 92 -13.566 4.778 12.066 696 HD3 ARG 92 2HD ARG 92 -12.021 4.551 11.249 697 HE ARG 92 HE ARG 92 -11.692 2.622 12.454 698 HH11 ARG 92 2HH1 ARG 92 -14.366 4.403 13.795 699 HH12 ARG 92 1HH1 ARG 92 -14.868 3.117 14.841 700 HH21 ARG 92 2HH2 ARG 92 -12.343 0.921 13.827 701 HH22 ARG 92 1HH2 ARG 92 -13.716 1.136 14.859 702 H THR 93 H THR 93 -7.551 4.317 15.119 703 HA THR 93 HA THR 93 -5.748 6.350 14.442 704 HB THR 93 HB THR 93 -5.078 3.619 15.557 705 HG1 THR 93 1HG THR 93 -5.602 6.046 16.957 706 HG21 THR 93 1HG2 THR 93 -3.088 4.653 16.435 707 HG22 THR 93 2HG2 THR 93 -3.587 6.230 15.824 708 HG23 THR 93 3HG2 THR 93 -3.152 4.945 14.698 709 H VAL 94 H VAL 94 -4.022 6.465 13.051 710 HA VAL 94 HA VAL 94 -3.574 4.204 11.232 711 HB VAL 94 HB VAL 94 -4.116 7.054 10.411 712 HG11 VAL 94 1HG1 VAL 94 -2.679 4.865 8.970 713 HG12 VAL 94 2HG1 VAL 94 -3.648 6.030 8.065 714 HG13 VAL 94 3HG1 VAL 94 -2.301 6.585 9.060 715 HG21 VAL 94 1HG2 VAL 94 -5.340 4.655 9.144 716 HG22 VAL 94 2HG2 VAL 94 -5.917 5.156 10.733 717 HG23 VAL 94 3HG2 VAL 94 -6.002 6.273 9.371 718 H ILE 95 H ILE 95 -1.491 3.986 10.471 719 HA ILE 95 HA ILE 95 0.484 5.880 11.566 720 HB ILE 95 HB ILE 95 0.754 2.891 11.238 721 HG12 ILE 95 1HG1 ILE 95 0.939 4.569 13.744 722 HG13 ILE 95 2HG1 ILE 95 -0.542 3.774 13.220 723 HG21 ILE 95 1HG2 ILE 95 2.757 5.039 11.646 724 HG22 ILE 95 2HG2 ILE 95 2.969 3.540 12.550 725 HG23 ILE 95 3HG2 ILE 95 2.898 3.504 10.788 726 HD11 ILE 95 1HD1 ILE 95 0.221 1.699 13.758 727 HD12 ILE 95 2HD1 ILE 95 1.912 2.129 13.496 728 HD13 ILE 95 3HD1 ILE 95 1.082 2.662 14.958 729 H ASP 96 H ASP 96 2.140 6.539 10.260 730 HA ASP 96 HA ASP 96 1.781 6.087 7.418 731 HB2 ASP 96 1HB ASP 96 3.639 7.798 7.236 732 HB3 ASP 96 2HB ASP 96 2.166 8.358 8.023 733 H TYR 97 H TYR 97 2.969 4.771 6.193 734 HA TYR 97 HA TYR 97 5.028 3.169 7.445 735 HB2 TYR 97 1HB TYR 97 3.454 2.018 6.030 736 HB3 TYR 97 2HB TYR 97 3.795 3.102 4.686 737 HD1 TYR 97 2HD TYR 97 5.043 0.269 6.658 738 HD2 TYR 97 1HD TYR 97 5.782 2.825 3.337 739 HE1 TYR 97 2HE TYR 97 6.784 -1.276 5.863 740 HE2 TYR 97 1HE TYR 97 7.524 1.286 2.533 741 HH TYR 97 HH TYR 97 9.083 -0.687 4.060 742 H ASN 98 H ASN 98 6.990 4.038 7.618 743 HA ASN 98 HA ASN 98 8.063 5.540 5.322 744 HB2 ASN 98 1HB ASN 98 8.517 5.792 8.281 745 HB3 ASN 98 2HB ASN 98 9.729 6.373 7.143 746 HD21 ASN 98 1HD2 ASN 98 7.145 7.264 8.935 747 HD22 ASN 98 2HD2 ASN 98 6.633 8.654 8.046 748 H GLY 99 H GLY 99 8.190 2.881 5.010 749 HA2 GLY 99 1HA GLY 99 10.821 1.995 5.955 750 HA3 GLY 99 2HA GLY 99 9.595 0.978 5.214 751 H GLU 100 H GLU 100 10.802 0.095 3.597 752 HA GLU 100 HA GLU 100 12.160 1.927 1.748 753 HB2 GLU 100 1HB GLU 100 13.038 -0.354 0.832 754 HB3 GLU 100 2HB GLU 100 13.714 0.310 2.313 755 HG2 GLU 100 1HG GLU 100 11.397 -1.524 2.549 756 HG3 GLU 100 2HG GLU 100 12.961 -2.212 2.117 757 H ARG 101 H ARG 101 9.256 0.398 2.094 758 HA ARG 101 HA ARG 101 7.516 -0.059 0.702 759 HB2 ARG 101 1HB ARG 101 8.109 2.251 -0.101 760 HB3 ARG 101 2HB ARG 101 9.062 1.498 -1.373 761 HG2 ARG 101 1HG ARG 101 7.136 0.548 -2.375 762 HG3 ARG 101 2HG ARG 101 6.129 0.967 -0.988 763 HD2 ARG 101 1HD ARG 101 5.755 2.490 -2.867 764 HD3 ARG 101 2HD ARG 101 6.420 3.333 -1.469 765 HE ARG 101 HE ARG 101 8.445 2.484 -3.299 766 HH11 ARG 101 2HH1 ARG 101 6.070 4.949 -2.666 767 HH12 ARG 101 1HH1 ARG 101 6.907 6.170 -3.566 768 HH21 ARG 101 2HH2 ARG 101 9.556 4.083 -4.487 769 HH22 ARG 101 1HH2 ARG 101 8.889 5.676 -4.603 770 H THR 102 H THR 102 9.454 -2.039 0.909 771 HA THR 102 HA THR 102 9.361 -3.224 -1.787 772 HB THR 102 HB THR 102 11.462 -4.415 -1.289 773 HG1 THR 102 1HG THR 102 11.218 -2.973 1.126 774 HG21 THR 102 1HG2 THR 102 12.341 -2.711 -2.428 775 HG22 THR 102 2HG2 THR 102 12.682 -1.927 -0.885 776 HG23 THR 102 3HG2 THR 102 11.176 -1.583 -1.735 777 H LEU 103 H LEU 103 8.862 -5.399 -1.927 778 HA LEU 103 HA LEU 103 7.028 -6.539 -0.334 779 HB2 LEU 103 1HB LEU 103 7.717 -7.526 -2.431 780 HB3 LEU 103 2HB LEU 103 9.278 -7.969 -1.741 781 HG LEU 103 HG LEU 103 8.110 -9.529 -0.211 782 HD11 LEU 103 1HD1 LEU 103 5.826 -8.119 -1.093 783 HD12 LEU 103 2HD1 LEU 103 5.915 -9.441 0.070 784 HD13 LEU 103 3HD1 LEU 103 5.662 -9.788 -1.640 785 HD21 LEU 103 1HD2 LEU 103 7.963 -11.240 -1.765 786 HD22 LEU 103 2HD2 LEU 103 8.995 -10.067 -2.584 787 HD23 LEU 103 3HD2 LEU 103 7.288 -10.190 -3.011 788 H ASP 104 H ASP 104 10.527 -7.107 0.037 789 HA ASP 104 HA ASP 104 10.248 -8.607 2.435 790 HB2 ASP 104 1HB ASP 104 12.244 -8.408 0.704 791 HB3 ASP 104 2HB ASP 104 12.782 -7.153 1.816 792 H GLY 105 H GLY 105 10.794 -5.205 1.723 793 HA2 GLY 105 1HA GLY 105 11.512 -4.347 4.299 794 HA3 GLY 105 2HA GLY 105 10.769 -3.342 3.063 795 H PHE 106 H PHE 106 8.333 -4.745 2.800 796 HA PHE 106 HA PHE 106 6.797 -3.529 4.789 797 HB2 PHE 106 1HB PHE 106 6.111 -5.823 2.942 798 HB3 PHE 106 2HB PHE 106 4.934 -4.962 3.929 799 HD1 PHE 106 2HD PHE 106 5.828 -2.183 3.632 800 HD2 PHE 106 1HD PHE 106 5.551 -5.309 0.757 801 HE1 PHE 106 2HE PHE 106 5.555 -0.512 1.847 802 HE2 PHE 106 1HE PHE 106 5.278 -3.643 -1.033 803 HZ PHE 106 HZ PHE 106 5.278 -1.241 -0.489 804 H LYS 107 H LYS 107 7.789 -6.920 4.434 805 HA LYS 107 HA LYS 107 6.462 -8.010 6.604 806 HB2 LYS 107 1HB LYS 107 9.263 -8.850 5.920 807 HB3 LYS 107 2HB LYS 107 7.907 -9.846 6.431 808 HG2 LYS 107 1HG LYS 107 6.877 -8.981 4.156 809 HG3 LYS 107 2HG LYS 107 8.583 -8.787 3.744 810 HD2 LYS 107 1HD LYS 107 8.808 -11.211 4.654 811 HD3 LYS 107 2HD LYS 107 7.062 -11.280 4.407 812 HE2 LYS 107 1HE LYS 107 7.749 -12.022 2.366 813 HE3 LYS 107 2HE LYS 107 7.734 -10.289 2.043 814 HZ1 LYS 107 1HZ LYS 107 9.881 -10.385 1.581 815 HZ2 LYS 107 2HZ LYS 107 9.889 -12.053 1.864 816 HZ3 LYS 107 3HZ LYS 107 10.226 -10.980 3.127 817 H LYS 108 H LYS 108 9.495 -6.224 6.507 818 HA LYS 108 HA LYS 108 10.304 -6.711 9.161 819 HB2 LYS 108 1HB LYS 108 10.877 -4.213 7.567 820 HB3 LYS 108 2HB LYS 108 11.841 -4.895 8.870 821 HG2 LYS 108 1HG LYS 108 12.163 -6.919 7.378 822 HG3 LYS 108 2HG LYS 108 11.486 -5.937 6.077 823 HD2 LYS 108 1HD LYS 108 13.261 -4.208 6.693 824 HD3 LYS 108 2HD LYS 108 14.017 -5.492 7.639 825 HE2 LYS 108 1HE LYS 108 14.139 -6.882 5.614 826 HE3 LYS 108 2HE LYS 108 13.423 -5.568 4.681 827 HZ1 LYS 108 1HZ LYS 108 15.409 -4.651 4.453 828 HZ2 LYS 108 2HZ LYS 108 16.107 -5.978 5.235 829 HZ3 LYS 108 3HZ LYS 108 15.651 -4.614 6.127 830 H PHE 109 H PHE 109 8.451 -4.040 7.727 831 HA PHE 109 HA PHE 109 8.101 -2.596 10.124 832 HB2 PHE 109 1HB PHE 109 7.764 -1.635 7.863 833 HB3 PHE 109 2HB PHE 109 6.317 -2.621 7.681 834 HD1 PHE 109 1HD PHE 109 4.313 -2.142 8.997 835 HD2 PHE 109 2HD PHE 109 7.766 0.337 9.212 836 HE1 PHE 109 1HE PHE 109 2.971 -0.370 10.052 837 HE2 PHE 109 2HE PHE 109 6.430 2.113 10.268 838 HZ PHE 109 HZ PHE 109 4.030 1.761 10.690 839 H LEU 110 H LEU 110 6.119 -5.045 8.514 840 HA LEU 110 HA LEU 110 3.967 -4.909 10.368 841 HB2 LEU 110 1HB LEU 110 4.771 -7.148 8.517 842 HB3 LEU 110 2HB LEU 110 3.221 -7.000 9.342 843 HG LEU 110 HG LEU 110 4.203 -4.966 7.353 844 HD11 LEU 110 1HD1 LEU 110 4.117 -6.987 6.119 845 HD12 LEU 110 2HD1 LEU 110 2.623 -6.117 5.772 846 HD13 LEU 110 3HD1 LEU 110 2.611 -7.477 6.894 847 HD21 LEU 110 1HD2 LEU 110 1.361 -5.352 7.566 848 HD22 LEU 110 2HD2 LEU 110 2.316 -3.890 7.813 849 HD23 LEU 110 3HD2 LEU 110 2.060 -5.013 9.149 850 H GLU 111 H GLU 111 6.329 -7.535 9.841 851 HA GLU 111 HA GLU 111 5.851 -9.143 11.941 852 HB2 GLU 111 1HB GLU 111 8.477 -8.265 10.772 853 HB3 GLU 111 2HB GLU 111 8.417 -9.435 12.082 854 HG2 GLU 111 1HG GLU 111 6.682 -10.607 10.469 855 HG3 GLU 111 2HG GLU 111 7.583 -9.707 9.251 856 H SER 112 H SER 112 7.427 -6.007 12.097 857 HA SER 112 HA SER 112 8.238 -6.204 14.816 858 HB2 SER 112 1HB SER 112 7.839 -3.831 12.986 859 HB3 SER 112 2HB SER 112 8.462 -3.691 14.630 860 HG SER 112 HG SER 112 9.684 -5.545 12.948 861 H GLY 113 H GLY 113 5.398 -4.852 13.193 862 HA2 GLY 113 1HA GLY 113 3.249 -5.062 14.322 863 HA3 GLY 113 2HA GLY 113 4.082 -4.725 15.833 864 H GLY 114 H GLY 114 4.589 -2.996 12.806 865 HA2 GLY 114 1HA GLY 114 4.223 -0.804 12.228 866 HA3 GLY 114 2HA GLY 114 2.831 -0.851 13.300 867 H GLN 115 H GLN 115 6.325 -1.139 13.915 868 HA GLN 115 HA GLN 115 6.040 0.978 15.934 869 HB2 GLN 115 1HB GLN 115 8.103 -1.206 15.623 870 HB3 GLN 115 2HB GLN 115 8.209 0.077 16.821 871 HG2 GLN 115 1HG GLN 115 5.730 -1.553 16.727 872 HG3 GLN 115 2HG GLN 115 7.190 -2.281 17.395 873 HE21 GLN 115 1HE2 GLN 115 7.817 -1.751 19.402 874 HE22 GLN 115 2HE2 GLN 115 7.024 -0.591 20.407 875 H SER 116 H SER 116 6.290 2.803 14.683 876 HA SER 116 HA SER 116 8.840 3.064 13.235 877 HB2 SER 116 1HB SER 116 6.660 3.353 11.951 878 HB3 SER 116 2HB SER 116 6.416 4.830 12.882 879 HG SER 116 HG SER 116 8.762 5.180 12.047 880 H GLY 117 H GLY 117 10.140 4.865 13.567 881 HA2 GLY 117 1HA GLY 117 9.944 6.033 16.191 882 HA3 GLY 117 2HA GLY 117 11.215 6.319 15.013 883 HA PRO 118 HA PRO 118 7.916 9.808 15.247 884 HB2 PRO 118 1HB PRO 118 9.039 11.435 17.107 885 HB3 PRO 118 2HB PRO 118 7.856 10.186 17.513 886 HG2 PRO 118 1HG PRO 118 10.841 10.112 17.736 887 HG3 PRO 118 2HG PRO 118 9.618 9.536 18.884 888 HD2 PRO 118 1HD PRO 118 10.946 7.871 17.212 889 HD3 PRO 118 2HD PRO 118 9.273 7.574 17.725 890 H SER 119 H SER 119 8.621 10.432 13.224 891 HA SER 119 HA SER 119 11.225 11.685 12.921 892 HB2 SER 119 1HB SER 119 9.942 10.107 11.229 893 HB3 SER 119 2HB SER 119 9.204 11.625 10.717 894 HG SER 119 HG SER 119 11.973 11.010 10.790 895 H SER 120 H SER 120 11.501 13.809 12.049 896 HA SER 120 HA SER 120 9.781 15.734 13.259 897 HB2 SER 120 1HB SER 120 12.196 15.929 11.470 898 HB3 SER 120 2HB SER 120 11.289 17.364 11.948 899 HG SER 120 HG SER 120 12.791 17.164 13.502 900 H GLY 121 H GLY 121 8.463 17.286 12.279 901 HA2 GLY 121 1HA GLY 121 7.622 16.595 9.531 902 HA3 GLY 121 2HA GLY 121 6.517 17.156 10.776 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -12.182 -15.581 14.221 2 HA2 GLY 1 1HA GLY 1 -12.360 -17.267 12.673 3 HA3 GLY 1 2HA GLY 1 -13.235 -16.093 11.703 4 H SER 2 H SER 2 -10.870 -18.216 11.457 5 HA SER 2 HA SER 2 -8.980 -16.535 9.996 6 HB2 SER 2 1HB SER 2 -8.897 -19.465 10.748 7 HB3 SER 2 2HB SER 2 -7.636 -18.640 9.833 8 HG SER 2 HG SER 2 -6.962 -18.484 11.890 9 H SER 3 H SER 3 -11.003 -19.409 9.460 10 HA SER 3 HA SER 3 -10.487 -19.978 6.850 11 HB2 SER 3 1HB SER 3 -12.941 -20.153 8.527 12 HB3 SER 3 2HB SER 3 -13.129 -20.384 6.789 13 HG SER 3 HG SER 3 -12.447 -22.208 8.437 14 H GLY 4 H GLY 4 -10.400 -18.763 5.087 15 HA2 GLY 4 1HA GLY 4 -12.059 -17.506 3.592 16 HA3 GLY 4 2HA GLY 4 -12.126 -16.378 4.938 17 H SER 5 H SER 5 -9.573 -18.043 3.080 18 HA SER 5 HA SER 5 -8.002 -15.576 3.139 19 HB2 SER 5 1HB SER 5 -7.315 -18.436 2.465 20 HB3 SER 5 2HB SER 5 -6.205 -17.102 2.152 21 HG SER 5 HG SER 5 -6.331 -18.388 4.342 22 H SER 6 H SER 6 -10.234 -15.426 1.524 23 HA SER 6 HA SER 6 -9.947 -16.162 -1.138 24 HB2 SER 6 1HB SER 6 -11.997 -15.157 -0.089 25 HB3 SER 6 2HB SER 6 -11.201 -13.585 -0.163 26 HG SER 6 HG SER 6 -12.662 -14.473 -1.999 27 H GLY 7 H GLY 7 -8.484 -15.656 -2.620 28 HA2 GLY 7 1HA GLY 7 -6.829 -14.543 -3.755 29 HA3 GLY 7 2HA GLY 7 -7.626 -13.066 -3.233 30 HA PRO 8 HA PRO 8 -3.391 -13.716 -1.172 31 HB2 PRO 8 1HB PRO 8 -1.998 -11.845 -2.562 32 HB3 PRO 8 2HB PRO 8 -2.104 -13.535 -3.067 33 HG2 PRO 8 1HG PRO 8 -3.647 -11.165 -4.048 34 HG3 PRO 8 2HG PRO 8 -2.920 -12.490 -4.976 35 HD2 PRO 8 1HD PRO 8 -5.562 -12.401 -4.389 36 HD3 PRO 8 2HD PRO 8 -4.667 -13.927 -4.533 37 H VAL 9 H VAL 9 -4.655 -10.644 -2.482 38 HA VAL 9 HA VAL 9 -4.369 -9.486 0.215 39 HB VAL 9 HB VAL 9 -2.794 -8.290 -1.006 40 HG11 VAL 9 1HG1 VAL 9 -4.689 -8.012 -3.329 41 HG12 VAL 9 2HG1 VAL 9 -2.969 -7.618 -3.280 42 HG13 VAL 9 3HG1 VAL 9 -3.493 -9.300 -3.198 43 HG21 VAL 9 1HG2 VAL 9 -5.003 -6.981 -0.110 44 HG22 VAL 9 2HG2 VAL 9 -3.533 -6.193 -0.681 45 HG23 VAL 9 3HG2 VAL 9 -4.903 -6.401 -1.772 46 H LYS 10 H LYS 10 -6.110 -8.511 1.080 47 HA LYS 10 HA LYS 10 -8.660 -8.887 -0.112 48 HB2 LYS 10 1HB LYS 10 -7.828 -8.574 2.431 49 HB3 LYS 10 2HB LYS 10 -8.387 -6.938 2.106 50 HG2 LYS 10 1HG LYS 10 -10.484 -8.320 1.168 51 HG3 LYS 10 2HG LYS 10 -9.913 -9.442 2.405 52 HD2 LYS 10 1HD LYS 10 -11.282 -8.160 3.697 53 HD3 LYS 10 2HD LYS 10 -9.805 -7.203 3.834 54 HE2 LYS 10 1HE LYS 10 -11.687 -5.757 3.356 55 HE3 LYS 10 2HE LYS 10 -10.582 -5.780 1.983 56 HZ1 LYS 10 1HZ LYS 10 -12.076 -6.837 0.678 57 HZ2 LYS 10 2HZ LYS 10 -13.183 -6.089 1.715 58 HZ3 LYS 10 3HZ LYS 10 -12.766 -7.711 1.951 59 H VAL 11 H VAL 11 -10.156 -7.340 -0.835 60 HA VAL 11 HA VAL 11 -8.930 -4.821 -1.752 61 HB VAL 11 HB VAL 11 -11.226 -6.352 -2.983 62 HG11 VAL 11 1HG1 VAL 11 -10.779 -4.663 -4.869 63 HG12 VAL 11 2HG1 VAL 11 -11.675 -4.112 -3.452 64 HG13 VAL 11 3HG1 VAL 11 -9.967 -3.709 -3.628 65 HG21 VAL 11 1HG2 VAL 11 -9.116 -6.040 -4.802 66 HG22 VAL 11 2HG2 VAL 11 -8.377 -6.564 -3.289 67 HG23 VAL 11 3HG2 VAL 11 -9.655 -7.529 -4.027 68 H LEU 12 H LEU 12 -9.505 -3.288 -0.329 69 HA LEU 12 HA LEU 12 -12.131 -3.285 0.893 70 HB2 LEU 12 1HB LEU 12 -10.070 -1.117 1.130 71 HB3 LEU 12 2HB LEU 12 -11.349 -1.543 2.265 72 HG LEU 12 HG LEU 12 -9.195 -3.531 1.723 73 HD11 LEU 12 1HD1 LEU 12 -8.824 -0.893 2.981 74 HD12 LEU 12 2HD1 LEU 12 -7.650 -1.969 2.224 75 HD13 LEU 12 3HD1 LEU 12 -8.188 -2.274 3.876 76 HD21 LEU 12 1HD2 LEU 12 -10.184 -2.940 4.432 77 HD22 LEU 12 2HD2 LEU 12 -9.921 -4.488 3.628 78 HD23 LEU 12 3HD2 LEU 12 -11.386 -3.561 3.301 79 H VAL 13 H VAL 13 -13.665 -1.618 0.691 80 HA VAL 13 HA VAL 13 -13.336 0.112 -1.672 81 HB VAL 13 HB VAL 13 -15.813 -0.151 -2.044 82 HG11 VAL 13 1HG1 VAL 13 -15.588 -2.355 -3.165 83 HG12 VAL 13 2HG1 VAL 13 -14.250 -1.255 -3.502 84 HG13 VAL 13 3HG1 VAL 13 -14.041 -2.572 -2.346 85 HG21 VAL 13 1HG2 VAL 13 -15.921 -2.761 -0.768 86 HG22 VAL 13 2HG2 VAL 13 -15.741 -1.446 0.392 87 HG23 VAL 13 3HG2 VAL 13 -17.091 -1.441 -0.743 88 H GLY 14 H GLY 14 -14.992 1.926 -1.678 89 HA2 GLY 14 1HA GLY 14 -14.728 3.394 0.746 90 HA3 GLY 14 2HA GLY 14 -15.639 3.892 -0.673 91 H LYS 15 H LYS 15 -16.716 0.887 0.169 92 HA LYS 15 HA LYS 15 -19.063 2.030 1.487 93 HB2 LYS 15 1HB LYS 15 -19.388 0.611 -0.515 94 HB3 LYS 15 2HB LYS 15 -18.644 -0.736 0.337 95 HG2 LYS 15 1HG LYS 15 -20.441 -0.758 1.951 96 HG3 LYS 15 2HG LYS 15 -21.164 0.668 1.203 97 HD2 LYS 15 1HD LYS 15 -20.698 -1.900 -0.297 98 HD3 LYS 15 2HD LYS 15 -22.189 -1.568 0.588 99 HE2 LYS 15 1HE LYS 15 -22.183 0.643 -0.793 100 HE3 LYS 15 2HE LYS 15 -21.097 -0.245 -1.860 101 HZ1 LYS 15 1HZ LYS 15 -23.866 -0.359 -1.793 102 HZ2 LYS 15 2HZ LYS 15 -23.324 -1.852 -1.210 103 HZ3 LYS 15 3HZ LYS 15 -22.819 -1.304 -2.729 104 H ASN 16 H ASN 16 -16.702 -0.588 1.903 105 HA ASN 16 HA ASN 16 -17.321 -0.565 4.779 106 HB2 ASN 16 1HB ASN 16 -17.062 -2.979 4.880 107 HB3 ASN 16 2HB ASN 16 -18.309 -2.571 3.705 108 HD21 ASN 16 1HD2 ASN 16 -14.940 -3.505 4.063 109 HD22 ASN 16 2HD2 ASN 16 -14.788 -4.244 2.509 110 H PHE 17 H PHE 17 -15.237 0.797 3.269 111 HA PHE 17 HA PHE 17 -12.764 -0.518 3.428 112 HB2 PHE 17 1HB PHE 17 -12.569 1.381 2.163 113 HB3 PHE 17 2HB PHE 17 -13.659 2.306 3.190 114 HD1 PHE 17 2HD PHE 17 -10.275 0.744 3.281 115 HD2 PHE 17 1HD PHE 17 -12.777 3.955 4.524 116 HE1 PHE 17 2HE PHE 17 -8.341 1.835 4.340 117 HE2 PHE 17 1HE PHE 17 -10.847 5.052 5.585 118 HZ PHE 17 HZ PHE 17 -8.626 3.992 5.495 119 H GLU 18 H GLU 18 -14.030 1.995 5.626 120 HA GLU 18 HA GLU 18 -12.071 1.647 7.600 121 HB2 GLU 18 1HB GLU 18 -14.894 2.594 8.090 122 HB3 GLU 18 2HB GLU 18 -13.456 2.990 9.019 123 HG2 GLU 18 1HG GLU 18 -13.606 4.888 7.808 124 HG3 GLU 18 2HG GLU 18 -12.663 3.929 6.668 125 H ASP 19 H ASP 19 -14.904 -0.170 6.858 126 HA ASP 19 HA ASP 19 -15.399 -1.348 9.366 127 HB2 ASP 19 1HB ASP 19 -16.089 -1.989 6.541 128 HB3 ASP 19 2HB ASP 19 -16.265 -3.274 7.733 129 H VAL 20 H VAL 20 -13.467 -2.481 6.602 130 HA VAL 20 HA VAL 20 -12.453 -4.723 8.138 131 HB VAL 20 HB VAL 20 -11.871 -3.792 5.326 132 HG11 VAL 20 1HG1 VAL 20 -10.599 -5.824 5.020 133 HG12 VAL 20 2HG1 VAL 20 -9.909 -4.891 6.350 134 HG13 VAL 20 3HG1 VAL 20 -10.908 -6.305 6.688 135 HG21 VAL 20 1HG2 VAL 20 -13.760 -5.693 6.557 136 HG22 VAL 20 2HG2 VAL 20 -13.897 -4.759 5.067 137 HG23 VAL 20 3HG2 VAL 20 -12.949 -6.246 5.091 138 H ALA 21 H ALA 21 -11.369 -1.585 7.016 139 HA ALA 21 HA ALA 21 -8.616 -1.880 7.473 140 HB1 ALA 21 1HB ALA 21 -8.659 0.641 7.700 141 HB2 ALA 21 2HB ALA 21 -9.320 -0.019 6.203 142 HB3 ALA 21 3HB ALA 21 -10.406 0.536 7.476 143 H PHE 22 H PHE 22 -10.945 -0.131 9.540 144 HA PHE 22 HA PHE 22 -9.144 -0.285 11.788 145 HB2 PHE 22 1HB PHE 22 -11.968 0.783 11.587 146 HB3 PHE 22 2HB PHE 22 -10.916 0.958 12.988 147 HD1 PHE 22 2HD PHE 22 -8.373 1.712 11.926 148 HD2 PHE 22 1HD PHE 22 -12.260 2.834 10.604 149 HE1 PHE 22 2HE PHE 22 -7.447 3.782 10.972 150 HE2 PHE 22 1HE PHE 22 -11.340 4.906 9.647 151 HZ PHE 22 HZ PHE 22 -8.931 5.383 9.832 152 H ASP 23 H ASP 23 -8.953 -2.439 12.336 153 HA ASP 23 HA ASP 23 -11.385 -3.671 13.452 154 HB2 ASP 23 1HB ASP 23 -9.306 -4.819 11.652 155 HB3 ASP 23 2HB ASP 23 -9.980 -5.866 12.898 156 H GLU 24 H GLU 24 -11.197 -4.693 15.416 157 HA GLU 24 HA GLU 24 -8.901 -3.945 17.001 158 HB2 GLU 24 1HB GLU 24 -11.000 -3.686 18.081 159 HB3 GLU 24 2HB GLU 24 -11.510 -5.309 17.639 160 HG2 GLU 24 1HG GLU 24 -11.001 -5.508 19.883 161 HG3 GLU 24 2HG GLU 24 -9.541 -6.098 19.089 162 H LYS 25 H LYS 25 -7.430 -5.306 17.962 163 HA LYS 25 HA LYS 25 -6.051 -7.106 18.140 164 HB2 LYS 25 1HB LYS 25 -8.784 -8.281 18.165 165 HB3 LYS 25 2HB LYS 25 -7.432 -9.387 17.959 166 HG2 LYS 25 1HG LYS 25 -7.527 -7.393 20.198 167 HG3 LYS 25 2HG LYS 25 -8.266 -8.991 20.324 168 HD2 LYS 25 1HD LYS 25 -5.427 -8.747 19.428 169 HD3 LYS 25 2HD LYS 25 -5.813 -8.601 21.144 170 HE2 LYS 25 1HE LYS 25 -5.456 -10.855 21.007 171 HE3 LYS 25 2HE LYS 25 -7.187 -10.799 20.674 172 HZ1 LYS 25 1HZ LYS 25 -5.453 -10.549 18.361 173 HZ2 LYS 25 2HZ LYS 25 -6.886 -11.428 18.551 174 HZ3 LYS 25 3HZ LYS 25 -5.425 -12.058 19.127 175 H LYS 26 H LYS 26 -6.506 -5.959 15.514 176 HA LYS 26 HA LYS 26 -5.389 -8.121 13.943 177 HB2 LYS 26 1HB LYS 26 -7.677 -8.512 13.424 178 HB3 LYS 26 2HB LYS 26 -8.004 -6.793 13.246 179 HG2 LYS 26 1HG LYS 26 -7.921 -7.451 11.059 180 HG3 LYS 26 2HG LYS 26 -6.246 -6.957 11.320 181 HD2 LYS 26 1HD LYS 26 -6.141 -9.035 10.200 182 HD3 LYS 26 2HD LYS 26 -5.764 -9.379 11.890 183 HE2 LYS 26 1HE LYS 26 -7.317 -11.022 10.890 184 HE3 LYS 26 2HE LYS 26 -8.006 -10.176 12.274 185 HZ1 LYS 26 1HZ LYS 26 -8.499 -9.336 9.476 186 HZ2 LYS 26 2HZ LYS 26 -9.328 -8.850 10.868 187 HZ3 LYS 26 3HZ LYS 26 -9.499 -10.431 10.291 188 H ASN 27 H ASN 27 -3.685 -7.315 12.927 189 HA ASN 27 HA ASN 27 -3.475 -4.434 12.537 190 HB2 ASN 27 1HB ASN 27 -1.396 -6.578 12.049 191 HB3 ASN 27 2HB ASN 27 -1.119 -4.840 12.107 192 HD21 ASN 27 1HD2 ASN 27 -1.790 -7.702 13.954 193 HD22 ASN 27 2HD2 ASN 27 -1.419 -7.034 15.504 194 H VAL 28 H VAL 28 -4.712 -3.941 10.769 195 HA VAL 28 HA VAL 28 -4.296 -5.426 8.288 196 HB VAL 28 HB VAL 28 -6.224 -3.169 8.849 197 HG11 VAL 28 1HG1 VAL 28 -6.578 -3.152 6.658 198 HG12 VAL 28 2HG1 VAL 28 -5.406 -4.451 6.430 199 HG13 VAL 28 3HG1 VAL 28 -7.098 -4.834 6.750 200 HG21 VAL 28 1HG2 VAL 28 -6.514 -6.152 9.029 201 HG22 VAL 28 2HG2 VAL 28 -6.921 -4.930 10.233 202 HG23 VAL 28 3HG2 VAL 28 -7.903 -5.095 8.778 203 H PHE 29 H PHE 29 -3.075 -4.703 6.666 204 HA PHE 29 HA PHE 29 -2.072 -1.939 6.820 205 HB2 PHE 29 1HB PHE 29 -0.346 -3.699 7.079 206 HB3 PHE 29 2HB PHE 29 -0.778 -4.331 5.494 207 HD1 PHE 29 1HD PHE 29 -0.801 -0.739 6.053 208 HD2 PHE 29 2HD PHE 29 1.521 -4.050 4.727 209 HE1 PHE 29 1HE PHE 29 0.799 0.808 5.003 210 HE2 PHE 29 2HE PHE 29 3.126 -2.509 3.677 211 HZ PHE 29 HZ PHE 29 2.766 -0.076 3.814 212 H VAL 30 H VAL 30 -3.457 -0.813 5.551 213 HA VAL 30 HA VAL 30 -4.363 -1.856 3.012 214 HB VAL 30 HB VAL 30 -4.743 0.928 4.117 215 HG11 VAL 30 1HG1 VAL 30 -6.092 -0.638 1.931 216 HG12 VAL 30 2HG1 VAL 30 -6.785 0.823 2.638 217 HG13 VAL 30 3HG1 VAL 30 -5.234 0.897 1.799 218 HG21 VAL 30 1HG2 VAL 30 -6.326 -1.592 4.543 219 HG22 VAL 30 2HG2 VAL 30 -5.657 -0.500 5.756 220 HG23 VAL 30 3HG2 VAL 30 -7.022 0.013 4.765 221 H GLU 31 H GLU 31 -4.143 -0.560 1.013 222 HA GLU 31 HA GLU 31 -1.713 1.061 0.875 223 HB2 GLU 31 1HB GLU 31 -0.729 -0.953 0.261 224 HB3 GLU 31 2HB GLU 31 -2.181 -1.534 -0.543 225 HG2 GLU 31 1HG GLU 31 -1.807 0.169 -2.314 226 HG3 GLU 31 2HG GLU 31 -0.274 0.567 -1.539 227 H PHE 32 H PHE 32 -2.571 2.923 0.186 228 HA PHE 32 HA PHE 32 -4.757 2.984 -1.696 229 HB2 PHE 32 1HB PHE 32 -3.112 5.231 -0.512 230 HB3 PHE 32 2HB PHE 32 -4.574 5.438 -1.472 231 HD1 PHE 32 1HD PHE 32 -6.754 4.853 -0.561 232 HD2 PHE 32 2HD PHE 32 -3.211 4.506 1.772 233 HE1 PHE 32 1HE PHE 32 -8.118 4.694 1.481 234 HE2 PHE 32 2HE PHE 32 -4.569 4.345 3.817 235 HZ PHE 32 HZ PHE 32 -7.026 4.438 3.673 236 H TYR 33 H TYR 33 -4.145 2.286 -3.683 237 HA TYR 33 HA TYR 33 -1.799 3.550 -4.923 238 HB2 TYR 33 1HB TYR 33 -1.741 1.699 -6.462 239 HB3 TYR 33 2HB TYR 33 -1.866 1.052 -4.830 240 HD1 TYR 33 2HD TYR 33 -3.828 1.792 -7.889 241 HD2 TYR 33 1HD TYR 33 -3.648 -0.364 -4.226 242 HE1 TYR 33 2HE TYR 33 -5.807 0.495 -8.562 243 HE2 TYR 33 1HE TYR 33 -5.625 -1.668 -4.889 244 HH TYR 33 HH TYR 33 -6.687 -2.049 -7.793 245 H ALA 34 H ALA 34 -2.096 3.697 -7.424 246 HA ALA 34 HA ALA 34 -4.763 4.797 -8.016 247 HB1 ALA 34 1HB ALA 34 -2.366 6.066 -9.238 248 HB2 ALA 34 2HB ALA 34 -3.938 6.762 -8.845 249 HB3 ALA 34 3HB ALA 34 -2.766 6.452 -7.564 250 HA PRO 35 HA PRO 35 -4.566 2.121 -11.523 251 HB2 PRO 35 1HB PRO 35 -6.600 3.220 -12.946 252 HB3 PRO 35 2HB PRO 35 -6.862 2.211 -11.519 253 HG2 PRO 35 1HG PRO 35 -6.876 5.195 -11.758 254 HG3 PRO 35 2HG PRO 35 -7.985 4.139 -10.864 255 HD2 PRO 35 1HD PRO 35 -5.971 5.490 -9.659 256 HD3 PRO 35 2HD PRO 35 -6.533 3.905 -9.090 257 H TRP 36 H TRP 36 -3.672 5.336 -11.488 258 HA TRP 36 HA TRP 36 -2.807 5.205 -14.301 259 HB2 TRP 36 1HB TRP 36 -2.834 7.857 -13.913 260 HB3 TRP 36 2HB TRP 36 -4.235 6.971 -14.509 261 HD1 TRP 36 HD TRP 36 -6.334 6.769 -12.906 262 HE1 TRP 36 1HE TRP 36 -6.985 7.963 -10.721 263 HE3 TRP 36 3HE TRP 36 -1.812 8.849 -11.740 264 HZ2 TRP 36 2HZ TRP 36 -5.746 9.574 -8.763 265 HZ3 TRP 36 3HZ TRP 36 -1.630 10.203 -9.693 266 HH2 TRP 36 HH TRP 36 -3.558 10.558 -8.237 267 H CYS 37 H CYS 37 -2.097 6.439 -11.061 268 HA CYS 37 HA CYS 37 0.341 7.618 -11.422 269 HB2 CYS 37 1HB CYS 37 -0.893 7.434 -9.257 270 HB3 CYS 37 2HB CYS 37 -0.338 5.769 -9.127 271 HG CYS 37 HG CYS 37 1.509 6.686 -7.541 272 H GLY 38 H GLY 38 2.314 6.999 -12.041 273 HA2 GLY 38 1HA GLY 38 2.795 4.429 -13.089 274 HA3 GLY 38 2HA GLY 38 4.017 5.658 -12.797 275 H HIS 39 H HIS 39 4.573 5.925 -10.388 276 HA HIS 39 HA HIS 39 5.927 3.806 -9.427 277 HB2 HIS 39 1HB HIS 39 4.594 6.090 -8.029 278 HB3 HIS 39 2HB HIS 39 5.342 4.820 -7.064 279 HD1 HIS 39 1HD HIS 39 7.962 4.299 -8.072 280 HD2 HIS 39 2HD HIS 39 6.330 8.100 -8.458 281 HE1 HIS 39 1HE HIS 39 9.920 5.841 -8.408 282 HE2 HIS 39 2HE HIS 39 8.914 8.145 -8.554 283 H CYS 40 H CYS 40 2.483 4.358 -9.076 284 HA CYS 40 HA CYS 40 2.016 2.299 -7.174 285 HB2 CYS 40 1HB CYS 40 0.215 3.777 -9.089 286 HB3 CYS 40 2HB CYS 40 -0.388 2.524 -8.011 287 HG CYS 40 HG CYS 40 1.391 4.716 -6.305 288 H LYS 41 H LYS 41 1.710 2.459 -10.706 289 HA LYS 41 HA LYS 41 0.643 -0.025 -11.224 290 HB2 LYS 41 1HB LYS 41 2.627 1.644 -12.752 291 HB3 LYS 41 2HB LYS 41 2.048 0.105 -13.377 292 HG2 LYS 41 1HG LYS 41 -0.249 0.941 -13.300 293 HG3 LYS 41 2HG LYS 41 0.339 2.487 -12.684 294 HD2 LYS 41 1HD LYS 41 1.406 3.013 -14.704 295 HD3 LYS 41 2HD LYS 41 1.344 1.343 -15.272 296 HE2 LYS 41 1HE LYS 41 -1.159 2.914 -14.755 297 HE3 LYS 41 2HE LYS 41 -0.297 3.044 -16.287 298 HZ1 LYS 41 1HZ LYS 41 -1.927 0.891 -15.268 299 HZ2 LYS 41 2HZ LYS 41 -0.472 0.383 -15.965 300 HZ3 LYS 41 3HZ LYS 41 -1.563 1.310 -16.866 301 H GLN 42 H GLN 42 3.818 0.771 -10.099 302 HA GLN 42 HA GLN 42 4.906 -1.845 -10.723 303 HB2 GLN 42 1HB GLN 42 6.075 0.503 -9.223 304 HB3 GLN 42 2HB GLN 42 6.942 -0.985 -9.579 305 HG2 GLN 42 1HG GLN 42 5.722 0.658 -11.763 306 HG3 GLN 42 2HG GLN 42 7.309 1.043 -11.100 307 HE21 GLN 42 1HE2 GLN 42 6.999 0.402 -13.744 308 HE22 GLN 42 2HE2 GLN 42 7.730 -1.131 -14.060 309 H LEU 43 H LEU 43 3.318 -0.261 -8.117 310 HA LEU 43 HA LEU 43 4.270 -2.068 -6.078 311 HB2 LEU 43 1HB LEU 43 3.507 0.379 -5.802 312 HB3 LEU 43 2HB LEU 43 1.875 -0.284 -5.827 313 HG LEU 43 HG LEU 43 2.507 -1.699 -3.863 314 HD11 LEU 43 1HD1 LEU 43 5.090 -0.514 -4.434 315 HD12 LEU 43 2HD1 LEU 43 4.680 -1.905 -3.432 316 HD13 LEU 43 3HD1 LEU 43 4.601 -0.278 -2.756 317 HD21 LEU 43 1HD2 LEU 43 2.551 0.265 -2.260 318 HD22 LEU 43 2HD2 LEU 43 1.215 0.218 -3.410 319 HD23 LEU 43 3HD2 LEU 43 2.580 1.301 -3.687 320 H ALA 44 H ALA 44 1.820 -2.074 -8.443 321 HA ALA 44 HA ALA 44 -0.267 -3.465 -7.305 322 HB1 ALA 44 1HB ALA 44 0.575 -2.818 -9.916 323 HB2 ALA 44 2HB ALA 44 0.218 -4.546 -9.904 324 HB3 ALA 44 3HB ALA 44 -1.011 -3.389 -9.393 325 HA PRO 45 HA PRO 45 2.020 -7.619 -8.296 326 HB2 PRO 45 1HB PRO 45 4.677 -7.454 -8.827 327 HB3 PRO 45 2HB PRO 45 3.439 -7.364 -10.085 328 HG2 PRO 45 1HG PRO 45 4.942 -5.149 -8.745 329 HG3 PRO 45 2HG PRO 45 4.545 -5.353 -10.461 330 HD2 PRO 45 1HD PRO 45 3.141 -3.713 -8.827 331 HD3 PRO 45 2HD PRO 45 2.393 -4.576 -10.186 332 H ILE 46 H ILE 46 4.387 -5.314 -6.940 333 HA ILE 46 HA ILE 46 5.492 -6.984 -5.020 334 HB ILE 46 HB ILE 46 5.067 -4.003 -4.786 335 HG12 ILE 46 1HG1 ILE 46 7.652 -5.232 -5.627 336 HG13 ILE 46 2HG1 ILE 46 6.357 -5.138 -6.815 337 HG21 ILE 46 1HG2 ILE 46 6.051 -4.149 -2.804 338 HG22 ILE 46 2HG2 ILE 46 6.157 -5.900 -2.971 339 HG23 ILE 46 3HG2 ILE 46 7.466 -4.877 -3.562 340 HD11 ILE 46 1HD1 ILE 46 6.457 -2.614 -5.642 341 HD12 ILE 46 2HD1 ILE 46 8.138 -3.090 -5.885 342 HD13 ILE 46 3HD1 ILE 46 7.020 -3.076 -7.248 343 H TRP 47 H TRP 47 2.621 -4.931 -4.830 344 HA TRP 47 HA TRP 47 2.123 -5.395 -2.072 345 HB2 TRP 47 1HB TRP 47 1.212 -3.493 -3.500 346 HB3 TRP 47 2HB TRP 47 0.052 -4.654 -4.139 347 HD1 TRP 47 HD TRP 47 -2.182 -4.676 -2.906 348 HE1 TRP 47 1HE TRP 47 -3.009 -4.009 -0.561 349 HE3 TRP 47 3HE TRP 47 2.290 -3.346 -0.817 350 HZ2 TRP 47 2HZ TRP 47 -1.910 -3.046 1.854 351 HZ3 TRP 47 3HZ TRP 47 2.316 -2.561 1.515 352 HH2 TRP 47 HH TRP 47 0.258 -2.415 2.821 353 H ASP 48 H ASP 48 1.161 -7.014 -5.034 354 HA ASP 48 HA ASP 48 -0.785 -8.708 -3.813 355 HB2 ASP 48 1HB ASP 48 -1.161 -8.539 -6.082 356 HB3 ASP 48 2HB ASP 48 0.556 -8.566 -6.476 357 H LYS 49 H LYS 49 2.659 -8.876 -4.340 358 HA LYS 49 HA LYS 49 2.896 -11.676 -3.780 359 HB2 LYS 49 1HB LYS 49 4.870 -9.416 -4.006 360 HB3 LYS 49 2HB LYS 49 5.370 -11.024 -3.499 361 HG2 LYS 49 1HG LYS 49 5.054 -11.929 -5.565 362 HG3 LYS 49 2HG LYS 49 3.783 -10.782 -5.996 363 HD2 LYS 49 1HD LYS 49 5.520 -10.059 -7.327 364 HD3 LYS 49 2HD LYS 49 5.729 -9.039 -5.902 365 HE2 LYS 49 1HE LYS 49 7.875 -9.773 -6.177 366 HE3 LYS 49 2HE LYS 49 7.256 -11.041 -5.119 367 HZ1 LYS 49 1HZ LYS 49 6.903 -12.450 -7.014 368 HZ2 LYS 49 2HZ LYS 49 8.505 -11.909 -7.030 369 HZ3 LYS 49 3HZ LYS 49 7.371 -11.223 -8.081 370 H LEU 50 H LEU 50 2.820 -8.763 -1.900 371 HA LEU 50 HA LEU 50 3.887 -10.039 0.475 372 HB2 LEU 50 1HB LEU 50 4.530 -7.850 0.484 373 HB3 LEU 50 2HB LEU 50 3.046 -7.299 -0.292 374 HG LEU 50 HG LEU 50 1.893 -7.746 1.927 375 HD11 LEU 50 1HD1 LEU 50 3.079 -8.812 3.473 376 HD12 LEU 50 2HD1 LEU 50 4.025 -7.336 3.658 377 HD13 LEU 50 3HD1 LEU 50 4.576 -8.604 2.564 378 HD21 LEU 50 1HD2 LEU 50 2.793 -5.512 0.945 379 HD22 LEU 50 2HD2 LEU 50 4.000 -5.647 2.224 380 HD23 LEU 50 3HD2 LEU 50 2.285 -5.583 2.633 381 H GLY 51 H GLY 51 0.782 -9.101 -0.859 382 HA2 GLY 51 1HA GLY 51 -0.774 -9.371 1.472 383 HA3 GLY 51 2HA GLY 51 -1.368 -9.520 -0.175 384 H GLU 52 H GLU 52 0.192 -11.739 -0.972 385 HA GLU 52 HA GLU 52 -1.422 -13.849 -0.003 386 HB2 GLU 52 1HB GLU 52 -0.286 -15.234 -1.512 387 HB3 GLU 52 2HB GLU 52 -0.233 -13.649 -2.270 388 HG2 GLU 52 1HG GLU 52 2.049 -13.336 -1.422 389 HG3 GLU 52 2HG GLU 52 1.992 -14.950 -0.717 390 H THR 53 H THR 53 1.673 -12.593 0.948 391 HA THR 53 HA THR 53 2.609 -14.849 2.379 392 HB THR 53 HB THR 53 3.266 -11.918 2.722 393 HG1 THR 53 1HG THR 53 4.209 -13.989 1.096 394 HG21 THR 53 1HG2 THR 53 4.936 -14.221 3.695 395 HG22 THR 53 2HG2 THR 53 3.713 -13.466 4.718 396 HG23 THR 53 3HG2 THR 53 5.065 -12.512 4.109 397 H TYR 54 H TYR 54 0.512 -12.166 3.216 398 HA TYR 54 HA TYR 54 0.141 -13.360 5.885 399 HB2 TYR 54 1HB TYR 54 -0.233 -10.457 5.125 400 HB3 TYR 54 2HB TYR 54 -0.396 -11.146 6.736 401 HD1 TYR 54 2HD TYR 54 2.033 -10.423 4.035 402 HD2 TYR 54 1HD TYR 54 1.490 -11.435 8.132 403 HE1 TYR 54 2HE TYR 54 4.419 -9.995 4.451 404 HE2 TYR 54 1HE TYR 54 3.874 -11.009 8.560 405 HH TYR 54 HH TYR 54 6.073 -10.074 5.933 406 H LYS 55 H LYS 55 -1.250 -14.094 3.462 407 HA LYS 55 HA LYS 55 -3.856 -12.884 3.526 408 HB2 LYS 55 1HB LYS 55 -4.422 -14.353 1.764 409 HB3 LYS 55 2HB LYS 55 -2.737 -13.931 1.494 410 HG2 LYS 55 1HG LYS 55 -2.168 -16.089 2.719 411 HG3 LYS 55 2HG LYS 55 -3.873 -16.507 2.530 412 HD2 LYS 55 1HD LYS 55 -3.697 -16.774 0.268 413 HD3 LYS 55 2HD LYS 55 -2.398 -15.588 0.120 414 HE2 LYS 55 1HE LYS 55 -1.280 -17.565 -0.282 415 HE3 LYS 55 2HE LYS 55 -1.011 -17.346 1.447 416 HZ1 LYS 55 1HZ LYS 55 -1.668 -19.535 1.304 417 HZ2 LYS 55 2HZ LYS 55 -2.797 -19.245 0.079 418 HZ3 LYS 55 3HZ LYS 55 -3.131 -18.768 1.667 419 H ASP 56 H ASP 56 -2.328 -15.699 4.922 420 HA ASP 56 HA ASP 56 -4.891 -16.431 6.178 421 HB2 ASP 56 1HB ASP 56 -4.180 -18.688 6.281 422 HB3 ASP 56 2HB ASP 56 -3.757 -18.136 4.663 423 H HIS 57 H HIS 57 -2.820 -14.425 7.006 424 HA HIS 57 HA HIS 57 -1.413 -15.429 9.247 425 HB2 HIS 57 1HB HIS 57 -1.319 -13.109 7.857 426 HB3 HIS 57 2HB HIS 57 -2.214 -12.580 9.279 427 HD1 HIS 57 1HD HIS 57 -0.948 -12.503 11.516 428 HD2 HIS 57 2HD HIS 57 1.361 -13.816 8.321 429 HE1 HIS 57 1HE HIS 57 1.427 -12.472 12.344 430 HE2 HIS 57 2HE HIS 57 2.813 -13.189 10.367 431 H GLU 58 H GLU 58 -1.884 -14.017 11.425 432 HA GLU 58 HA GLU 58 -4.589 -14.845 12.207 433 HB2 GLU 58 1HB GLU 58 -3.805 -15.242 14.339 434 HB3 GLU 58 2HB GLU 58 -2.381 -15.626 13.381 435 HG2 GLU 58 1HG GLU 58 -1.471 -13.407 13.836 436 HG3 GLU 58 2HG GLU 58 -2.898 -13.020 14.797 437 H ASN 59 H ASN 59 -2.283 -12.172 12.638 438 HA ASN 59 HA ASN 59 -4.575 -10.408 13.204 439 HB2 ASN 59 1HB ASN 59 -3.098 -9.019 14.534 440 HB3 ASN 59 2HB ASN 59 -3.003 -10.680 15.111 441 HD21 ASN 59 1HD2 ASN 59 -1.095 -11.722 15.076 442 HD22 ASN 59 2HD2 ASN 59 0.382 -11.033 14.502 443 H ILE 60 H ILE 60 -1.664 -10.899 11.354 444 HA ILE 60 HA ILE 60 -1.706 -8.271 10.163 445 HB ILE 60 HB ILE 60 -0.130 -10.710 9.332 446 HG12 ILE 60 1HG1 ILE 60 0.683 -8.378 11.081 447 HG13 ILE 60 2HG1 ILE 60 0.341 -10.007 11.654 448 HG21 ILE 60 1HG2 ILE 60 0.326 -9.467 7.536 449 HG22 ILE 60 2HG2 ILE 60 -0.381 -8.021 8.255 450 HG23 ILE 60 3HG2 ILE 60 1.287 -8.462 8.620 451 HD11 ILE 60 1HD1 ILE 60 2.652 -9.930 11.551 452 HD12 ILE 60 2HD1 ILE 60 2.206 -10.731 10.044 453 HD13 ILE 60 3HD1 ILE 60 2.654 -9.026 10.037 454 H VAL 61 H VAL 61 -3.276 -7.774 8.780 455 HA VAL 61 HA VAL 61 -3.965 -9.742 6.696 456 HB VAL 61 HB VAL 61 -5.765 -8.033 8.362 457 HG11 VAL 61 1HG1 VAL 61 -6.430 -7.220 6.276 458 HG12 VAL 61 2HG1 VAL 61 -6.195 -8.782 5.489 459 HG13 VAL 61 3HG1 VAL 61 -7.550 -8.544 6.593 460 HG21 VAL 61 1HG2 VAL 61 -7.128 -10.057 8.381 461 HG22 VAL 61 2HG2 VAL 61 -6.002 -10.837 7.269 462 HG23 VAL 61 3HG2 VAL 61 -5.477 -10.405 8.897 463 H ILE 62 H ILE 62 -3.044 -9.005 4.889 464 HA ILE 62 HA ILE 62 -2.616 -6.215 4.389 465 HB ILE 62 HB ILE 62 -2.314 -8.563 2.512 466 HG12 ILE 62 1HG1 ILE 62 -0.905 -8.660 4.577 467 HG13 ILE 62 2HG1 ILE 62 0.028 -8.540 3.089 468 HG21 ILE 62 1HG2 ILE 62 -2.191 -5.755 2.057 469 HG22 ILE 62 2HG2 ILE 62 -0.571 -6.428 1.879 470 HG23 ILE 62 3HG2 ILE 62 -1.904 -7.073 0.921 471 HD11 ILE 62 1HD1 ILE 62 0.667 -7.104 5.151 472 HD12 ILE 62 2HD1 ILE 62 0.711 -6.392 3.537 473 HD13 ILE 62 3HD1 ILE 62 -0.653 -6.068 4.608 474 H ALA 63 H ALA 63 -3.637 -4.881 2.933 475 HA ALA 63 HA ALA 63 -5.843 -5.888 1.336 476 HB1 ALA 63 1HB ALA 63 -7.081 -5.521 3.297 477 HB2 ALA 63 2HB ALA 63 -6.238 -4.012 3.648 478 HB3 ALA 63 3HB ALA 63 -7.371 -4.095 2.299 479 H LYS 64 H LYS 64 -6.622 -4.346 -0.216 480 HA LYS 64 HA LYS 64 -4.888 -1.999 -0.583 481 HB2 LYS 64 1HB LYS 64 -4.712 -2.440 -2.952 482 HB3 LYS 64 2HB LYS 64 -4.151 -3.849 -2.062 483 HG2 LYS 64 1HG LYS 64 -6.173 -5.033 -2.519 484 HG3 LYS 64 2HG LYS 64 -6.917 -3.592 -3.216 485 HD2 LYS 64 1HD LYS 64 -5.160 -3.607 -4.976 486 HD3 LYS 64 2HD LYS 64 -4.566 -5.132 -4.314 487 HE2 LYS 64 1HE LYS 64 -7.044 -5.895 -4.617 488 HE3 LYS 64 2HE LYS 64 -7.118 -4.550 -5.755 489 HZ1 LYS 64 1HZ LYS 64 -6.374 -6.983 -6.458 490 HZ2 LYS 64 2HZ LYS 64 -4.859 -6.368 -6.026 491 HZ3 LYS 64 3HZ LYS 64 -5.776 -5.595 -7.219 492 H MET 65 H MET 65 -5.845 -0.196 -1.500 493 HA MET 65 HA MET 65 -8.657 -0.370 -2.278 494 HB2 MET 65 1HB MET 65 -8.419 0.202 0.203 495 HB3 MET 65 2HB MET 65 -7.740 1.735 -0.328 496 HG2 MET 65 1HG MET 65 -9.777 2.312 -1.455 497 HG3 MET 65 2HG MET 65 -10.458 0.722 -1.118 498 HE1 MET 65 1HE MET 65 -10.548 4.477 1.102 499 HE2 MET 65 2HE MET 65 -10.465 4.030 -0.602 500 HE3 MET 65 3HE MET 65 -11.986 3.875 0.278 501 H ASP 66 H ASP 66 -9.205 0.995 -3.895 502 HA ASP 66 HA ASP 66 -7.069 2.552 -5.094 503 HB2 ASP 66 1HB ASP 66 -8.506 1.082 -6.483 504 HB3 ASP 66 2HB ASP 66 -9.895 2.084 -6.069 505 H SER 67 H SER 67 -6.783 4.392 -3.912 506 HA SER 67 HA SER 67 -8.773 5.954 -2.741 507 HB2 SER 67 1HB SER 67 -6.147 6.035 -2.552 508 HB3 SER 67 2HB SER 67 -6.298 7.249 -3.823 509 HG SER 67 HG SER 67 -6.961 7.391 -1.157 510 H THR 68 H THR 68 -7.690 5.763 -6.027 511 HA THR 68 HA THR 68 -8.860 8.259 -6.852 512 HB THR 68 HB THR 68 -8.142 7.762 -9.028 513 HG1 THR 68 1HG THR 68 -9.083 5.695 -9.238 514 HG21 THR 68 1HG2 THR 68 -6.327 7.882 -7.196 515 HG22 THR 68 2HG2 THR 68 -5.866 7.288 -8.791 516 HG23 THR 68 3HG2 THR 68 -6.143 6.151 -7.473 517 H ALA 69 H ALA 69 -9.999 5.092 -6.300 518 HA ALA 69 HA ALA 69 -12.427 5.618 -7.884 519 HB1 ALA 69 1HB ALA 69 -10.838 3.225 -7.448 520 HB2 ALA 69 2HB ALA 69 -12.554 2.970 -7.125 521 HB3 ALA 69 3HB ALA 69 -12.033 3.579 -8.696 522 H ASN 70 H ASN 70 -11.177 5.360 -4.730 523 HA ASN 70 HA ASN 70 -13.887 5.547 -3.635 524 HB2 ASN 70 1HB ASN 70 -11.749 3.774 -2.434 525 HB3 ASN 70 2HB ASN 70 -13.394 3.989 -1.842 526 HD21 ASN 70 1HD2 ASN 70 -11.355 2.385 -4.077 527 HD22 ASN 70 2HD2 ASN 70 -12.560 1.380 -4.799 528 H GLU 71 H GLU 71 -14.091 7.139 -2.189 529 HA GLU 71 HA GLU 71 -11.628 8.298 -1.060 530 HB2 GLU 71 1HB GLU 71 -13.147 9.602 -2.794 531 HB3 GLU 71 2HB GLU 71 -14.104 9.936 -1.357 532 HG2 GLU 71 1HG GLU 71 -12.369 11.120 -0.333 533 HG3 GLU 71 2HG GLU 71 -11.158 10.471 -1.438 534 H VAL 72 H VAL 72 -11.543 8.686 1.095 535 HA VAL 72 HA VAL 72 -13.980 8.401 2.690 536 HB VAL 72 HB VAL 72 -12.682 6.979 4.335 537 HG11 VAL 72 1HG1 VAL 72 -13.988 6.240 1.870 538 HG12 VAL 72 2HG1 VAL 72 -12.805 5.024 2.355 539 HG13 VAL 72 3HG1 VAL 72 -14.092 5.495 3.465 540 HG21 VAL 72 1HG2 VAL 72 -10.917 5.562 2.977 541 HG22 VAL 72 2HG2 VAL 72 -10.762 7.062 2.062 542 HG23 VAL 72 3HG2 VAL 72 -10.458 7.054 3.799 543 H GLU 73 H GLU 73 -14.022 9.632 4.518 544 HA GLU 73 HA GLU 73 -12.104 11.739 4.728 545 HB2 GLU 73 1HB GLU 73 -13.471 12.554 6.558 546 HB3 GLU 73 2HB GLU 73 -14.502 12.061 5.222 547 HG2 GLU 73 1HG GLU 73 -14.672 9.818 6.491 548 HG3 GLU 73 2HG GLU 73 -14.094 10.748 7.872 549 H ALA 74 H ALA 74 -12.575 8.674 6.286 550 HA ALA 74 HA ALA 74 -11.110 9.115 8.646 551 HB1 ALA 74 1HB ALA 74 -12.585 7.073 7.753 552 HB2 ALA 74 2HB ALA 74 -10.978 6.431 7.413 553 HB3 ALA 74 3HB ALA 74 -11.407 6.908 9.056 554 H VAL 75 H VAL 75 -10.091 9.022 5.429 555 HA VAL 75 HA VAL 75 -7.318 9.175 6.234 556 HB VAL 75 HB VAL 75 -8.355 6.894 4.577 557 HG11 VAL 75 1HG1 VAL 75 -5.901 6.464 4.054 558 HG12 VAL 75 2HG1 VAL 75 -6.696 7.753 3.148 559 HG13 VAL 75 3HG1 VAL 75 -5.626 8.149 4.494 560 HG21 VAL 75 1HG2 VAL 75 -6.841 7.244 7.099 561 HG22 VAL 75 2HG2 VAL 75 -8.065 6.049 6.668 562 HG23 VAL 75 3HG2 VAL 75 -6.410 5.867 6.085 563 H LYS 76 H LYS 76 -6.657 10.944 5.223 564 HA LYS 76 HA LYS 76 -7.742 11.579 2.574 565 HB2 LYS 76 1HB LYS 76 -6.472 13.213 4.746 566 HB3 LYS 76 2HB LYS 76 -6.500 13.815 3.093 567 HG2 LYS 76 1HG LYS 76 -8.978 12.932 4.543 568 HG3 LYS 76 2HG LYS 76 -8.368 14.587 4.599 569 HD2 LYS 76 1HD LYS 76 -8.745 14.927 2.317 570 HD3 LYS 76 2HD LYS 76 -8.852 13.196 1.985 571 HE2 LYS 76 1HE LYS 76 -10.955 13.101 3.251 572 HE3 LYS 76 2HE LYS 76 -10.849 14.836 3.543 573 HZ1 LYS 76 1HZ LYS 76 -10.591 14.410 0.797 574 HZ2 LYS 76 2HZ LYS 76 -11.858 15.172 1.619 575 HZ3 LYS 76 3HZ LYS 76 -11.924 13.509 1.320 576 H VAL 77 H VAL 77 -6.567 10.809 0.946 577 HA VAL 77 HA VAL 77 -3.636 10.773 1.203 578 HB VAL 77 HB VAL 77 -5.228 9.336 -0.912 579 HG11 VAL 77 1HG1 VAL 77 -3.169 8.973 -1.688 580 HG12 VAL 77 2HG1 VAL 77 -2.421 9.592 -0.215 581 HG13 VAL 77 3HG1 VAL 77 -2.942 7.909 -0.300 582 HG21 VAL 77 1HG2 VAL 77 -5.405 8.817 1.809 583 HG22 VAL 77 2HG2 VAL 77 -5.845 7.723 0.498 584 HG23 VAL 77 3HG2 VAL 77 -4.235 7.640 1.213 585 H HIS 78 H HIS 78 -2.530 12.277 0.155 586 HA HIS 78 HA HIS 78 -3.755 13.535 -2.212 587 HB2 HIS 78 1HB HIS 78 -1.739 14.799 -0.348 588 HB3 HIS 78 2HB HIS 78 -2.619 15.588 -1.654 589 HD1 HIS 78 1HD HIS 78 -2.695 16.481 1.374 590 HD2 HIS 78 2HD HIS 78 -5.574 14.199 -0.565 591 HE1 HIS 78 1HE HIS 78 -4.813 16.814 2.688 592 HE2 HIS 78 2HE HIS 78 -6.521 15.357 1.546 593 H SER 79 H SER 79 -2.036 11.140 -2.064 594 HA SER 79 HA SER 79 -0.338 11.717 -4.248 595 HB2 SER 79 1HB SER 79 0.874 12.639 -2.085 596 HB3 SER 79 2HB SER 79 1.303 10.942 -1.871 597 HG SER 79 HG SER 79 1.751 12.390 -4.267 598 H PHE 80 H PHE 80 1.145 9.790 -4.716 599 HA PHE 80 HA PHE 80 0.482 7.288 -3.488 600 HB2 PHE 80 1HB PHE 80 -0.346 7.511 -6.368 601 HB3 PHE 80 2HB PHE 80 -0.768 6.271 -5.192 602 HD1 PHE 80 1HD PHE 80 -2.481 6.695 -3.500 603 HD2 PHE 80 2HD PHE 80 -1.568 9.560 -6.513 604 HE1 PHE 80 1HE PHE 80 -4.586 7.872 -3.014 605 HE2 PHE 80 2HE PHE 80 -3.672 10.742 -6.031 606 HZ PHE 80 HZ PHE 80 -5.183 9.899 -4.279 607 HA PRO 81 HA PRO 81 0.552 5.082 -4.293 608 HB2 PRO 81 1HB PRO 81 2.309 3.321 -3.205 609 HB3 PRO 81 2HB PRO 81 1.843 3.284 -4.910 610 HG2 PRO 81 1HG PRO 81 4.294 4.442 -3.641 611 HG3 PRO 81 2HG PRO 81 4.150 3.482 -5.124 612 HD2 PRO 81 1HD PRO 81 4.407 6.177 -5.153 613 HD3 PRO 81 2HD PRO 81 3.479 5.293 -6.382 614 H THR 82 H THR 82 -0.258 4.896 -2.238 615 HA THR 82 HA THR 82 1.328 6.101 -0.065 616 HB THR 82 HB THR 82 -1.584 6.513 -0.720 617 HG1 THR 82 1HG THR 82 -0.609 8.760 -0.129 618 HG21 THR 82 1HG2 THR 82 -1.355 5.939 1.680 619 HG22 THR 82 2HG2 THR 82 -1.869 7.606 1.423 620 HG23 THR 82 3HG2 THR 82 -0.196 7.256 1.857 621 H LEU 83 H LEU 83 1.660 4.774 1.586 622 HA LEU 83 HA LEU 83 -0.188 2.512 1.963 623 HB2 LEU 83 1HB LEU 83 2.675 2.664 2.876 624 HB3 LEU 83 2HB LEU 83 1.626 1.248 2.860 625 HG LEU 83 HG LEU 83 2.759 2.661 0.446 626 HD11 LEU 83 1HD1 LEU 83 4.529 1.448 1.279 627 HD12 LEU 83 2HD1 LEU 83 3.767 0.271 0.210 628 HD13 LEU 83 3HD1 LEU 83 3.492 0.189 1.950 629 HD21 LEU 83 1HD2 LEU 83 0.571 0.742 0.776 630 HD22 LEU 83 2HD2 LEU 83 1.785 0.267 -0.413 631 HD23 LEU 83 3HD2 LEU 83 0.951 1.813 -0.572 632 H LYS 84 H LYS 84 -1.086 2.159 3.929 633 HA LYS 84 HA LYS 84 -0.199 3.801 6.192 634 HB2 LYS 84 1HB LYS 84 -3.105 3.471 5.434 635 HB3 LYS 84 2HB LYS 84 -2.457 4.446 6.746 636 HG2 LYS 84 1HG LYS 84 -1.164 5.602 4.739 637 HG3 LYS 84 2HG LYS 84 -2.554 4.995 3.837 638 HD2 LYS 84 1HD LYS 84 -4.075 6.192 5.234 639 HD3 LYS 84 2HD LYS 84 -2.790 6.619 6.366 640 HE2 LYS 84 1HE LYS 84 -2.561 7.452 3.510 641 HE3 LYS 84 2HE LYS 84 -3.638 8.345 4.583 642 HZ1 LYS 84 1HZ LYS 84 -1.645 8.505 6.118 643 HZ2 LYS 84 2HZ LYS 84 -1.596 9.442 4.711 644 HZ3 LYS 84 3HZ LYS 84 -0.708 8.005 4.800 645 H PHE 85 H PHE 85 0.118 2.588 7.931 646 HA PHE 85 HA PHE 85 -0.964 -0.118 7.995 647 HB2 PHE 85 1HB PHE 85 1.383 0.013 8.448 648 HB3 PHE 85 2HB PHE 85 1.142 1.284 9.643 649 HD1 PHE 85 2HD PHE 85 0.758 -2.304 8.955 650 HD2 PHE 85 1HD PHE 85 0.505 0.776 11.882 651 HE1 PHE 85 2HE PHE 85 0.626 -4.005 10.728 652 HE2 PHE 85 1HE PHE 85 0.373 -0.920 13.660 653 HZ PHE 85 HZ PHE 85 0.432 -3.314 13.084 654 H PHE 86 H PHE 86 -2.604 -0.725 9.250 655 HA PHE 86 HA PHE 86 -3.591 1.193 11.252 656 HB2 PHE 86 1HB PHE 86 -5.123 -1.019 9.869 657 HB3 PHE 86 2HB PHE 86 -5.791 0.200 10.950 658 HD1 PHE 86 1HD PHE 86 -3.730 2.275 9.541 659 HD2 PHE 86 2HD PHE 86 -6.894 -0.270 8.268 660 HE1 PHE 86 1HE PHE 86 -4.141 3.754 7.618 661 HE2 PHE 86 2HE PHE 86 -7.310 1.204 6.343 662 HZ PHE 86 HZ PHE 86 -5.933 3.219 6.016 663 HA PRO 87 HA PRO 87 -2.188 -1.892 14.176 664 HB2 PRO 87 1HB PRO 87 -2.795 -0.432 16.383 665 HB3 PRO 87 2HB PRO 87 -1.351 -0.140 15.405 666 HG2 PRO 87 1HG PRO 87 -3.977 1.299 15.385 667 HG3 PRO 87 2HG PRO 87 -2.335 1.965 15.316 668 HD2 PRO 87 1HD PRO 87 -3.886 1.684 13.115 669 HD3 PRO 87 2HD PRO 87 -2.118 1.533 13.062 670 H ALA 88 H ALA 88 -3.179 -2.971 16.091 671 HA ALA 88 HA ALA 88 -5.938 -3.615 15.514 672 HB1 ALA 88 1HB ALA 88 -4.038 -4.723 17.577 673 HB2 ALA 88 2HB ALA 88 -5.651 -5.351 17.238 674 HB3 ALA 88 3HB ALA 88 -4.400 -5.419 15.997 675 H SER 89 H SER 89 -5.649 -0.975 16.404 676 HA SER 89 HA SER 89 -6.362 -0.882 19.209 677 HB2 SER 89 1HB SER 89 -6.521 1.567 18.833 678 HB3 SER 89 2HB SER 89 -4.975 0.906 18.304 679 HG SER 89 HG SER 89 -6.737 0.814 16.285 680 H ALA 90 H ALA 90 -8.331 0.216 19.941 681 HA ALA 90 HA ALA 90 -10.632 -0.753 18.458 682 HB1 ALA 90 1HB ALA 90 -11.580 0.539 20.715 683 HB2 ALA 90 2HB ALA 90 -11.273 -1.190 20.546 684 HB3 ALA 90 3HB ALA 90 -10.033 -0.136 21.225 685 H ASP 91 H ASP 91 -9.014 1.618 17.581 686 HA ASP 91 HA ASP 91 -11.284 3.447 17.254 687 HB2 ASP 91 1HB ASP 91 -8.464 4.302 17.946 688 HB3 ASP 91 2HB ASP 91 -9.785 5.391 17.531 689 H ARG 92 H ARG 92 -10.347 5.298 15.620 690 HA ARG 92 HA ARG 92 -9.642 3.773 13.233 691 HB2 ARG 92 1HB ARG 92 -10.307 5.808 12.005 692 HB3 ARG 92 2HB ARG 92 -11.582 5.223 13.065 693 HG2 ARG 92 1HG ARG 92 -11.453 7.024 14.450 694 HG3 ARG 92 2HG ARG 92 -9.737 7.285 14.132 695 HD2 ARG 92 1HD ARG 92 -10.771 9.085 13.076 696 HD3 ARG 92 2HD ARG 92 -10.485 7.941 11.765 697 HE ARG 92 HE ARG 92 -12.742 7.786 11.477 698 HH11 ARG 92 2HH1 ARG 92 -12.106 9.062 14.654 699 HH12 ARG 92 1HH1 ARG 92 -13.774 9.373 15.005 700 HH21 ARG 92 2HH2 ARG 92 -14.941 8.192 11.928 701 HH22 ARG 92 1HH2 ARG 92 -15.386 8.877 13.454 702 H THR 93 H THR 93 -7.492 3.891 14.827 703 HA THR 93 HA THR 93 -5.846 6.185 14.284 704 HB THR 93 HB THR 93 -5.022 3.496 15.396 705 HG1 THR 93 1HG THR 93 -6.273 5.721 16.525 706 HG21 THR 93 1HG2 THR 93 -3.051 4.583 14.762 707 HG22 THR 93 2HG2 THR 93 -3.233 5.015 16.462 708 HG23 THR 93 3HG2 THR 93 -3.674 6.171 15.206 709 H VAL 94 H VAL 94 -4.130 6.353 12.879 710 HA VAL 94 HA VAL 94 -3.661 4.110 11.038 711 HB VAL 94 HB VAL 94 -4.317 6.949 10.293 712 HG11 VAL 94 1HG1 VAL 94 -2.694 6.894 8.763 713 HG12 VAL 94 2HG1 VAL 94 -2.384 5.179 9.036 714 HG13 VAL 94 3HG1 VAL 94 -3.666 5.680 7.933 715 HG21 VAL 94 1HG2 VAL 94 -6.253 5.681 10.221 716 HG22 VAL 94 2HG2 VAL 94 -5.678 5.582 8.557 717 HG23 VAL 94 3HG2 VAL 94 -5.410 4.236 9.664 718 H ILE 95 H ILE 95 -1.573 3.794 10.470 719 HA ILE 95 HA ILE 95 0.397 5.697 11.553 720 HB ILE 95 HB ILE 95 0.634 2.727 11.074 721 HG12 ILE 95 1HG1 ILE 95 0.659 4.444 13.562 722 HG13 ILE 95 2HG1 ILE 95 -0.535 3.229 13.118 723 HG21 ILE 95 1HG2 ILE 95 2.919 3.062 12.138 724 HG22 ILE 95 2HG2 ILE 95 2.736 3.583 10.464 725 HG23 ILE 95 3HG2 ILE 95 2.721 4.774 11.765 726 HD11 ILE 95 1HD1 ILE 95 1.727 1.746 13.135 727 HD12 ILE 95 2HD1 ILE 95 2.080 2.928 14.396 728 HD13 ILE 95 3HD1 ILE 95 0.633 1.925 14.506 729 H ASP 96 H ASP 96 1.791 6.661 10.212 730 HA ASP 96 HA ASP 96 1.509 6.288 7.379 731 HB2 ASP 96 1HB ASP 96 3.345 8.052 9.010 732 HB3 ASP 96 2HB ASP 96 3.268 8.072 7.251 733 H TYR 97 H TYR 97 2.781 5.178 6.019 734 HA TYR 97 HA TYR 97 4.998 3.662 7.184 735 HB2 TYR 97 1HB TYR 97 3.212 2.421 5.993 736 HB3 TYR 97 2HB TYR 97 3.613 3.294 4.519 737 HD1 TYR 97 1HD TYR 97 5.814 2.912 3.421 738 HD2 TYR 97 2HD TYR 97 4.504 0.556 6.713 739 HE1 TYR 97 1HE TYR 97 7.498 1.208 2.864 740 HE2 TYR 97 2HE TYR 97 6.186 -1.154 6.166 741 HH TYR 97 HH TYR 97 8.758 -0.707 4.404 742 H ASN 98 H ASN 98 6.919 4.608 7.015 743 HA ASN 98 HA ASN 98 7.637 5.848 4.442 744 HB2 ASN 98 1HB ASN 98 8.833 6.813 7.018 745 HB3 ASN 98 2HB ASN 98 8.678 7.656 5.480 746 HD21 ASN 98 1HD2 ASN 98 6.562 8.377 4.846 747 HD22 ASN 98 2HD2 ASN 98 5.396 8.777 6.057 748 H GLY 99 H GLY 99 8.383 3.558 4.118 749 HA2 GLY 99 1HA GLY 99 11.130 3.287 5.166 750 HA3 GLY 99 2HA GLY 99 10.051 1.903 5.063 751 H GLU 100 H GLU 100 11.445 0.778 3.686 752 HA GLU 100 HA GLU 100 12.420 1.882 1.251 753 HB2 GLU 100 1HB GLU 100 13.007 -0.470 0.699 754 HB3 GLU 100 2HB GLU 100 13.598 0.045 2.273 755 HG2 GLU 100 1HG GLU 100 11.328 -1.020 3.087 756 HG3 GLU 100 2HG GLU 100 11.494 -1.931 1.587 757 H ARG 101 H ARG 101 9.496 0.254 2.188 758 HA ARG 101 HA ARG 101 7.539 -0.121 1.089 759 HB2 ARG 101 1HB ARG 101 8.068 2.226 0.216 760 HB3 ARG 101 2HB ARG 101 8.647 1.433 -1.242 761 HG2 ARG 101 1HG ARG 101 6.522 0.662 -1.813 762 HG3 ARG 101 2HG ARG 101 5.895 0.913 -0.183 763 HD2 ARG 101 1HD ARG 101 6.809 3.148 -1.984 764 HD3 ARG 101 2HD ARG 101 5.139 2.588 -1.896 765 HE ARG 101 HE ARG 101 5.824 3.126 0.693 766 HH11 ARG 101 2HH1 ARG 101 5.819 4.928 -2.285 767 HH12 ARG 101 1HH1 ARG 101 5.530 6.453 -1.515 768 HH21 ARG 101 2HH2 ARG 101 5.443 5.127 1.720 769 HH22 ARG 101 1HH2 ARG 101 5.317 6.565 0.764 770 H THR 102 H THR 102 9.459 -2.093 0.968 771 HA THR 102 HA THR 102 9.083 -3.177 -1.748 772 HB THR 102 HB THR 102 11.155 -4.400 -1.546 773 HG1 THR 102 1HG THR 102 12.463 -3.711 0.442 774 HG21 THR 102 1HG2 THR 102 12.518 -2.657 -2.047 775 HG22 THR 102 2HG2 THR 102 12.099 -1.770 -0.582 776 HG23 THR 102 3HG2 THR 102 11.010 -1.747 -1.969 777 H LEU 103 H LEU 103 8.815 -5.482 -1.905 778 HA LEU 103 HA LEU 103 6.891 -6.584 -0.319 779 HB2 LEU 103 1HB LEU 103 7.492 -7.562 -2.426 780 HB3 LEU 103 2HB LEU 103 9.096 -7.977 -1.825 781 HG LEU 103 HG LEU 103 8.114 -9.626 -0.315 782 HD11 LEU 103 1HD1 LEU 103 5.632 -8.310 -1.157 783 HD12 LEU 103 2HD1 LEU 103 6.014 -9.178 0.330 784 HD13 LEU 103 3HD1 LEU 103 5.561 -10.072 -1.121 785 HD21 LEU 103 1HD2 LEU 103 7.167 -9.922 -3.164 786 HD22 LEU 103 2HD2 LEU 103 7.378 -11.231 -2.001 787 HD23 LEU 103 3HD2 LEU 103 8.777 -10.315 -2.563 788 H ASP 104 H ASP 104 10.399 -7.012 0.048 789 HA ASP 104 HA ASP 104 10.126 -8.597 2.424 790 HB2 ASP 104 1HB ASP 104 12.406 -7.449 0.872 791 HB3 ASP 104 2HB ASP 104 12.693 -7.966 2.531 792 H GLY 105 H GLY 105 10.727 -5.214 1.686 793 HA2 GLY 105 1HA GLY 105 11.526 -4.378 4.255 794 HA3 GLY 105 2HA GLY 105 10.813 -3.349 3.022 795 H PHE 106 H PHE 106 8.339 -4.823 2.831 796 HA PHE 106 HA PHE 106 6.852 -3.483 4.805 797 HB2 PHE 106 1HB PHE 106 6.101 -5.764 2.970 798 HB3 PHE 106 2HB PHE 106 4.948 -4.908 3.988 799 HD1 PHE 106 2HD PHE 106 5.776 -2.133 3.714 800 HD2 PHE 106 1HD PHE 106 5.581 -5.221 0.791 801 HE1 PHE 106 2HE PHE 106 5.480 -0.442 1.953 802 HE2 PHE 106 1HE PHE 106 5.286 -3.534 -0.976 803 HZ PHE 106 HZ PHE 106 5.234 -1.141 -0.396 804 H LYS 107 H LYS 107 7.763 -6.898 4.484 805 HA LYS 107 HA LYS 107 6.428 -7.965 6.646 806 HB2 LYS 107 1HB LYS 107 9.251 -8.765 5.978 807 HB3 LYS 107 2HB LYS 107 7.938 -9.777 6.564 808 HG2 LYS 107 1HG LYS 107 6.822 -9.043 4.289 809 HG3 LYS 107 2HG LYS 107 8.507 -8.802 3.820 810 HD2 LYS 107 1HD LYS 107 8.789 -11.196 4.889 811 HD3 LYS 107 2HD LYS 107 7.065 -11.311 4.527 812 HE2 LYS 107 1HE LYS 107 7.890 -12.089 2.555 813 HE3 LYS 107 2HE LYS 107 7.891 -10.365 2.186 814 HZ1 LYS 107 1HZ LYS 107 10.125 -12.170 2.624 815 HZ2 LYS 107 2HZ LYS 107 10.289 -10.626 3.295 816 HZ3 LYS 107 3HZ LYS 107 10.015 -10.802 1.635 817 H LYS 108 H LYS 108 9.488 -6.207 6.598 818 HA LYS 108 HA LYS 108 10.224 -6.642 9.274 819 HB2 LYS 108 1HB LYS 108 10.820 -4.187 7.616 820 HB3 LYS 108 2HB LYS 108 11.731 -4.773 9.002 821 HG2 LYS 108 1HG LYS 108 12.035 -6.913 7.554 822 HG3 LYS 108 2HG LYS 108 11.627 -5.836 6.217 823 HD2 LYS 108 1HD LYS 108 13.972 -5.774 6.354 824 HD3 LYS 108 2HD LYS 108 13.432 -4.285 7.133 825 HE2 LYS 108 1HE LYS 108 15.016 -5.064 8.624 826 HE3 LYS 108 2HE LYS 108 13.522 -5.700 9.309 827 HZ1 LYS 108 1HZ LYS 108 13.976 -7.824 8.288 828 HZ2 LYS 108 2HZ LYS 108 15.292 -7.362 9.244 829 HZ3 LYS 108 3HZ LYS 108 15.380 -7.222 7.561 830 H PHE 109 H PHE 109 8.407 -3.981 7.772 831 HA PHE 109 HA PHE 109 8.001 -2.497 10.124 832 HB2 PHE 109 1HB PHE 109 7.650 -1.665 7.783 833 HB3 PHE 109 2HB PHE 109 6.165 -2.609 7.725 834 HD1 PHE 109 1HD PHE 109 4.256 -2.003 9.152 835 HD2 PHE 109 2HD PHE 109 7.767 0.396 8.964 836 HE1 PHE 109 1HE PHE 109 3.025 -0.128 10.163 837 HE2 PHE 109 2HE PHE 109 6.542 2.275 9.975 838 HZ PHE 109 HZ PHE 109 4.168 2.014 10.577 839 H LEU 110 H LEU 110 6.017 -4.978 8.551 840 HA LEU 110 HA LEU 110 3.877 -4.838 10.408 841 HB2 LEU 110 1HB LEU 110 4.712 -7.106 8.606 842 HB3 LEU 110 2HB LEU 110 3.163 -6.969 9.434 843 HG LEU 110 HG LEU 110 4.090 -4.939 7.418 844 HD11 LEU 110 1HD1 LEU 110 2.655 -6.142 5.795 845 HD12 LEU 110 2HD1 LEU 110 2.525 -7.471 6.947 846 HD13 LEU 110 3HD1 LEU 110 4.094 -7.047 6.265 847 HD21 LEU 110 1HD2 LEU 110 2.239 -4.417 9.041 848 HD22 LEU 110 2HD2 LEU 110 1.308 -5.706 8.277 849 HD23 LEU 110 3HD2 LEU 110 1.807 -4.301 7.334 850 H GLU 111 H GLU 111 6.283 -7.438 9.951 851 HA GLU 111 HA GLU 111 5.819 -9.007 12.085 852 HB2 GLU 111 1HB GLU 111 8.442 -8.110 10.919 853 HB3 GLU 111 2HB GLU 111 8.382 -9.265 12.243 854 HG2 GLU 111 1HG GLU 111 6.692 -10.495 10.644 855 HG3 GLU 111 2HG GLU 111 7.553 -9.578 9.410 856 H SER 112 H SER 112 7.410 -5.867 12.178 857 HA SER 112 HA SER 112 8.153 -5.998 14.921 858 HB2 SER 112 1HB SER 112 7.768 -3.583 13.135 859 HB3 SER 112 2HB SER 112 8.578 -3.580 14.702 860 HG SER 112 HG SER 112 9.498 -5.424 12.847 861 H GLY 113 H GLY 113 5.383 -4.639 13.186 862 HA2 GLY 113 1HA GLY 113 3.202 -4.771 14.260 863 HA3 GLY 113 2HA GLY 113 4.000 -4.415 15.785 864 H GLY 114 H GLY 114 4.640 -2.769 12.739 865 HA2 GLY 114 1HA GLY 114 4.506 -0.543 12.188 866 HA3 GLY 114 2HA GLY 114 2.916 -0.616 12.933 867 H GLN 115 H GLN 115 6.113 -0.984 14.424 868 HA GLN 115 HA GLN 115 5.378 0.938 16.460 869 HB2 GLN 115 1HB GLN 115 7.239 0.182 17.667 870 HB3 GLN 115 2HB GLN 115 6.659 -1.255 16.836 871 HG2 GLN 115 1HG GLN 115 8.416 -1.207 15.289 872 HG3 GLN 115 2HG GLN 115 8.844 0.453 15.701 873 HE21 GLN 115 1HE2 GLN 115 10.638 0.607 16.818 874 HE22 GLN 115 2HE2 GLN 115 11.239 -0.542 17.959 875 H SER 116 H SER 116 7.616 0.702 13.755 876 HA SER 116 HA SER 116 9.045 3.090 14.321 877 HB2 SER 116 1HB SER 116 10.175 2.712 12.332 878 HB3 SER 116 2HB SER 116 9.611 1.085 12.712 879 HG SER 116 HG SER 116 8.185 1.183 11.117 880 H GLY 117 H GLY 117 9.049 4.994 12.817 881 HA2 GLY 117 1HA GLY 117 7.804 6.359 11.249 882 HA3 GLY 117 2HA GLY 117 6.331 5.619 11.858 883 HA PRO 118 HA PRO 118 7.667 9.616 14.192 884 HB2 PRO 118 1HB PRO 118 6.460 11.530 12.693 885 HB3 PRO 118 2HB PRO 118 8.135 11.026 12.440 886 HG2 PRO 118 1HG PRO 118 5.666 10.212 10.955 887 HG3 PRO 118 2HG PRO 118 7.267 10.632 10.319 888 HD2 PRO 118 1HD PRO 118 6.438 8.070 10.601 889 HD3 PRO 118 2HD PRO 118 8.138 8.550 10.784 890 H SER 119 H SER 119 4.863 8.163 12.899 891 HA SER 119 HA SER 119 2.760 9.669 13.809 892 HB2 SER 119 1HB SER 119 3.160 6.701 13.579 893 HB3 SER 119 2HB SER 119 1.661 7.342 14.252 894 HG SER 119 HG SER 119 2.623 8.369 11.826 895 H SER 120 H SER 120 4.461 7.138 15.657 896 HA SER 120 HA SER 120 3.125 7.932 18.099 897 HB2 SER 120 1HB SER 120 4.487 6.110 19.125 898 HB3 SER 120 2HB SER 120 3.524 5.566 17.751 899 HG SER 120 HG SER 120 5.664 4.784 17.638 900 H GLY 121 H GLY 121 4.101 8.836 19.913 901 HA2 GLY 121 1HA GLY 121 6.885 9.478 20.004 902 HA3 GLY 121 2HA GLY 121 5.915 10.875 19.560 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -12.383 -18.654 5.531 2 HA2 GLY 1 1HA GLY 1 -13.568 -18.357 3.586 3 HA3 GLY 1 2HA GLY 1 -12.077 -17.781 2.856 4 H SER 2 H SER 2 -12.800 -18.865 0.920 5 HA SER 2 HA SER 2 -12.054 -21.704 0.947 6 HB2 SER 2 1HB SER 2 -13.893 -22.130 -0.723 7 HB3 SER 2 2HB SER 2 -14.457 -21.753 0.905 8 HG SER 2 HG SER 2 -15.349 -20.612 -1.128 9 H SER 3 H SER 3 -10.885 -22.386 -0.789 10 HA SER 3 HA SER 3 -9.323 -20.657 -2.223 11 HB2 SER 3 1HB SER 3 -8.746 -22.508 -3.660 12 HB3 SER 3 2HB SER 3 -8.994 -23.137 -2.031 13 HG SER 3 HG SER 3 -10.887 -24.025 -2.646 14 H GLY 4 H GLY 4 -12.428 -22.057 -3.217 15 HA2 GLY 4 1HA GLY 4 -12.652 -21.282 -5.810 16 HA3 GLY 4 2HA GLY 4 -14.001 -21.221 -4.686 17 H SER 5 H SER 5 -13.836 -19.203 -3.165 18 HA SER 5 HA SER 5 -13.305 -16.884 -4.903 19 HB2 SER 5 1HB SER 5 -15.366 -17.216 -2.711 20 HB3 SER 5 2HB SER 5 -15.070 -15.717 -3.590 21 HG SER 5 HG SER 5 -15.765 -18.155 -4.856 22 H SER 6 H SER 6 -11.140 -16.705 -4.179 23 HA SER 6 HA SER 6 -10.882 -15.161 -1.752 24 HB2 SER 6 1HB SER 6 -9.865 -17.953 -1.972 25 HB3 SER 6 2HB SER 6 -8.830 -16.769 -1.175 26 HG SER 6 HG SER 6 -11.552 -17.044 -0.483 27 H GLY 7 H GLY 7 -8.623 -14.329 -1.487 28 HA2 GLY 7 1HA GLY 7 -6.998 -14.399 -3.910 29 HA3 GLY 7 2HA GLY 7 -7.682 -12.842 -3.470 30 HA PRO 8 HA PRO 8 -3.560 -13.680 -1.292 31 HB2 PRO 8 1HB PRO 8 -2.082 -11.826 -2.614 32 HB3 PRO 8 2HB PRO 8 -2.235 -13.500 -3.161 33 HG2 PRO 8 1HG PRO 8 -3.681 -11.056 -4.110 34 HG3 PRO 8 2HG PRO 8 -2.983 -12.383 -5.058 35 HD2 PRO 8 1HD PRO 8 -5.630 -12.217 -4.512 36 HD3 PRO 8 2HD PRO 8 -4.785 -13.769 -4.678 37 H VAL 9 H VAL 9 -4.674 -10.531 -2.554 38 HA VAL 9 HA VAL 9 -4.393 -9.446 0.174 39 HB VAL 9 HB VAL 9 -2.773 -8.271 -1.008 40 HG11 VAL 9 1HG1 VAL 9 -2.939 -7.512 -3.271 41 HG12 VAL 9 2HG1 VAL 9 -3.439 -9.204 -3.226 42 HG13 VAL 9 3HG1 VAL 9 -4.651 -7.928 -3.339 43 HG21 VAL 9 1HG2 VAL 9 -4.968 -6.918 -0.116 44 HG22 VAL 9 2HG2 VAL 9 -3.455 -6.168 -0.625 45 HG23 VAL 9 3HG2 VAL 9 -4.800 -6.296 -1.758 46 H LYS 10 H LYS 10 -6.139 -8.523 1.061 47 HA LYS 10 HA LYS 10 -8.679 -8.777 -0.152 48 HB2 LYS 10 1HB LYS 10 -7.850 -8.513 2.396 49 HB3 LYS 10 2HB LYS 10 -8.361 -6.858 2.088 50 HG2 LYS 10 1HG LYS 10 -10.214 -9.051 1.333 51 HG3 LYS 10 2HG LYS 10 -10.015 -8.674 3.046 52 HD2 LYS 10 1HD LYS 10 -10.645 -6.373 2.652 53 HD3 LYS 10 2HD LYS 10 -10.723 -6.661 0.912 54 HE2 LYS 10 1HE LYS 10 -12.440 -8.513 1.610 55 HE3 LYS 10 2HE LYS 10 -12.583 -7.541 3.075 56 HZ1 LYS 10 1HZ LYS 10 -13.235 -5.659 1.782 57 HZ2 LYS 10 2HZ LYS 10 -14.213 -6.963 1.330 58 HZ3 LYS 10 3HZ LYS 10 -12.941 -6.473 0.328 59 H VAL 11 H VAL 11 -10.126 -7.193 -0.882 60 HA VAL 11 HA VAL 11 -8.834 -4.699 -1.772 61 HB VAL 11 HB VAL 11 -11.176 -6.157 -3.003 62 HG11 VAL 11 1HG1 VAL 11 -11.688 -4.089 -3.727 63 HG12 VAL 11 2HG1 VAL 11 -10.080 -3.454 -3.372 64 HG13 VAL 11 3HG1 VAL 11 -10.364 -4.361 -4.859 65 HG21 VAL 11 1HG2 VAL 11 -8.357 -6.485 -3.302 66 HG22 VAL 11 2HG2 VAL 11 -9.664 -7.343 -4.118 67 HG23 VAL 11 3HG2 VAL 11 -9.025 -5.850 -4.806 68 H LEU 12 H LEU 12 -9.352 -3.177 -0.310 69 HA LEU 12 HA LEU 12 -11.979 -3.097 0.905 70 HB2 LEU 12 1HB LEU 12 -9.747 -1.095 1.167 71 HB3 LEU 12 2HB LEU 12 -11.132 -1.299 2.237 72 HG LEU 12 HG LEU 12 -9.019 -3.413 1.883 73 HD11 LEU 12 1HD1 LEU 12 -9.116 -1.075 3.763 74 HD12 LEU 12 2HD1 LEU 12 -7.793 -1.598 2.722 75 HD13 LEU 12 3HD1 LEU 12 -8.226 -2.550 4.142 76 HD21 LEU 12 1HD2 LEU 12 -10.599 -3.090 4.358 77 HD22 LEU 12 2HD2 LEU 12 -10.069 -4.554 3.530 78 HD23 LEU 12 3HD2 LEU 12 -11.470 -3.663 2.935 79 H VAL 13 H VAL 13 -13.490 -1.442 0.670 80 HA VAL 13 HA VAL 13 -13.066 0.367 -1.616 81 HB VAL 13 HB VAL 13 -15.566 0.143 -2.025 82 HG11 VAL 13 1HG1 VAL 13 -13.768 -2.229 -2.508 83 HG12 VAL 13 2HG1 VAL 13 -15.294 -1.928 -3.343 84 HG13 VAL 13 3HG1 VAL 13 -13.944 -0.810 -3.540 85 HG21 VAL 13 1HG2 VAL 13 -16.434 -2.155 -1.313 86 HG22 VAL 13 2HG2 VAL 13 -15.131 -2.141 -0.124 87 HG23 VAL 13 3HG2 VAL 13 -16.375 -0.892 -0.083 88 H GLY 14 H GLY 14 -14.592 2.244 -1.608 89 HA2 GLY 14 1HA GLY 14 -14.427 3.613 0.863 90 HA3 GLY 14 2HA GLY 14 -15.301 4.161 -0.560 91 H LYS 15 H LYS 15 -16.493 1.186 0.047 92 HA LYS 15 HA LYS 15 -18.842 2.294 1.365 93 HB2 LYS 15 1HB LYS 15 -19.296 0.975 -0.584 94 HB3 LYS 15 2HB LYS 15 -18.308 -0.352 0.014 95 HG2 LYS 15 1HG LYS 15 -20.371 -1.161 0.509 96 HG3 LYS 15 2HG LYS 15 -20.041 -0.282 2.004 97 HD2 LYS 15 1HD LYS 15 -22.266 0.255 1.293 98 HD3 LYS 15 2HD LYS 15 -21.249 1.675 1.037 99 HE2 LYS 15 1HE LYS 15 -21.539 -0.243 -1.211 100 HE3 LYS 15 2HE LYS 15 -22.927 0.771 -0.817 101 HZ1 LYS 15 1HZ LYS 15 -21.930 2.276 -2.101 102 HZ2 LYS 15 2HZ LYS 15 -20.439 1.480 -2.068 103 HZ3 LYS 15 3HZ LYS 15 -20.867 2.524 -0.808 104 H ASN 16 H ASN 16 -16.788 -0.600 1.747 105 HA ASN 16 HA ASN 16 -17.381 -0.509 4.632 106 HB2 ASN 16 1HB ASN 16 -17.180 -2.952 4.678 107 HB3 ASN 16 2HB ASN 16 -18.443 -2.449 3.559 108 HD21 ASN 16 1HD2 ASN 16 -15.169 -3.654 3.821 109 HD22 ASN 16 2HD2 ASN 16 -15.075 -4.298 2.221 110 H PHE 17 H PHE 17 -15.226 0.851 3.350 111 HA PHE 17 HA PHE 17 -12.803 -0.580 3.468 112 HB2 PHE 17 1HB PHE 17 -12.480 1.369 2.322 113 HB3 PHE 17 2HB PHE 17 -13.592 2.277 3.341 114 HD1 PHE 17 2HD PHE 17 -10.253 0.628 3.488 115 HD2 PHE 17 1HD PHE 17 -12.736 3.821 4.815 116 HE1 PHE 17 2HE PHE 17 -8.343 1.611 4.687 117 HE2 PHE 17 1HE PHE 17 -10.829 4.810 6.015 118 HZ PHE 17 HZ PHE 17 -8.629 3.704 5.953 119 H GLU 18 H GLU 18 -14.045 1.854 5.766 120 HA GLU 18 HA GLU 18 -12.156 1.298 7.773 121 HB2 GLU 18 1HB GLU 18 -14.867 2.609 7.841 122 HB3 GLU 18 2HB GLU 18 -13.874 2.442 9.282 123 HG2 GLU 18 1HG GLU 18 -12.081 3.702 8.159 124 HG3 GLU 18 2HG GLU 18 -13.141 3.925 6.768 125 H ASP 19 H ASP 19 -15.226 -0.151 6.979 126 HA ASP 19 HA ASP 19 -15.757 -1.473 9.394 127 HB2 ASP 19 1HB ASP 19 -17.151 -1.219 7.153 128 HB3 ASP 19 2HB ASP 19 -16.439 -2.792 6.805 129 H VAL 20 H VAL 20 -13.724 -2.342 6.656 130 HA VAL 20 HA VAL 20 -13.012 -4.875 7.940 131 HB VAL 20 HB VAL 20 -12.496 -3.781 5.182 132 HG11 VAL 20 1HG1 VAL 20 -10.458 -4.891 5.973 133 HG12 VAL 20 2HG1 VAL 20 -11.399 -6.333 6.358 134 HG13 VAL 20 3HG1 VAL 20 -11.240 -5.804 4.683 135 HG21 VAL 20 1HG2 VAL 20 -14.015 -6.149 6.258 136 HG22 VAL 20 2HG2 VAL 20 -14.667 -4.740 5.422 137 HG23 VAL 20 3HG2 VAL 20 -13.672 -5.903 4.546 138 H ALA 21 H ALA 21 -11.319 -2.151 6.372 139 HA ALA 21 HA ALA 21 -8.743 -2.699 7.105 140 HB1 ALA 21 1HB ALA 21 -9.896 -0.652 5.832 141 HB2 ALA 21 2HB ALA 21 -9.550 0.134 7.372 142 HB3 ALA 21 3HB ALA 21 -8.241 -0.592 6.440 143 H PHE 22 H PHE 22 -10.866 -0.499 8.952 144 HA PHE 22 HA PHE 22 -9.143 -0.606 11.245 145 HB2 PHE 22 1HB PHE 22 -11.799 0.684 10.672 146 HB3 PHE 22 2HB PHE 22 -11.132 0.667 12.301 147 HD1 PHE 22 2HD PHE 22 -8.296 1.104 11.857 148 HD2 PHE 22 1HD PHE 22 -11.656 2.857 9.918 149 HE1 PHE 22 2HE PHE 22 -6.948 3.092 11.324 150 HE2 PHE 22 1HE PHE 22 -10.312 4.847 9.381 151 HZ PHE 22 HZ PHE 22 -7.955 4.967 10.086 152 H ASP 23 H ASP 23 -9.078 -2.778 11.855 153 HA ASP 23 HA ASP 23 -11.539 -3.745 13.150 154 HB2 ASP 23 1HB ASP 23 -10.978 -4.979 11.018 155 HB3 ASP 23 2HB ASP 23 -9.507 -5.535 11.812 156 H GLU 24 H GLU 24 -11.246 -3.783 15.271 157 HA GLU 24 HA GLU 24 -8.821 -3.496 16.594 158 HB2 GLU 24 1HB GLU 24 -9.997 -3.985 18.616 159 HB3 GLU 24 2HB GLU 24 -11.103 -3.115 17.562 160 HG2 GLU 24 1HG GLU 24 -11.061 -6.089 18.019 161 HG3 GLU 24 2HG GLU 24 -12.225 -4.946 18.686 162 H LYS 25 H LYS 25 -7.583 -4.964 17.867 163 HA LYS 25 HA LYS 25 -6.339 -6.851 18.136 164 HB2 LYS 25 1HB LYS 25 -9.013 -8.177 17.649 165 HB3 LYS 25 2HB LYS 25 -7.594 -8.978 18.311 166 HG2 LYS 25 1HG LYS 25 -8.805 -6.567 19.621 167 HG3 LYS 25 2HG LYS 25 -9.382 -8.203 19.947 168 HD2 LYS 25 1HD LYS 25 -6.475 -7.496 20.183 169 HD3 LYS 25 2HD LYS 25 -7.600 -7.208 21.512 170 HE2 LYS 25 1HE LYS 25 -8.048 -9.488 21.777 171 HE3 LYS 25 2HE LYS 25 -7.413 -9.890 20.182 172 HZ1 LYS 25 1HZ LYS 25 -6.045 -10.272 22.407 173 HZ2 LYS 25 2HZ LYS 25 -5.545 -8.692 22.068 174 HZ3 LYS 25 3HZ LYS 25 -5.297 -9.919 20.931 175 H LYS 26 H LYS 26 -6.597 -5.717 15.452 176 HA LYS 26 HA LYS 26 -5.441 -7.928 13.999 177 HB2 LYS 26 1HB LYS 26 -7.672 -8.390 13.372 178 HB3 LYS 26 2HB LYS 26 -8.058 -6.684 13.181 179 HG2 LYS 26 1HG LYS 26 -7.891 -7.386 10.999 180 HG3 LYS 26 2HG LYS 26 -6.270 -6.756 11.300 181 HD2 LYS 26 1HD LYS 26 -5.934 -8.818 10.223 182 HD3 LYS 26 2HD LYS 26 -5.639 -9.145 11.933 183 HE2 LYS 26 1HE LYS 26 -7.919 -10.021 12.148 184 HE3 LYS 26 2HE LYS 26 -8.200 -9.703 10.436 185 HZ1 LYS 26 1HZ LYS 26 -5.846 -11.260 10.865 186 HZ2 LYS 26 2HZ LYS 26 -7.181 -11.581 9.877 187 HZ3 LYS 26 3HZ LYS 26 -7.215 -12.014 11.512 188 H ASN 27 H ASN 27 -3.706 -7.141 13.018 189 HA ASN 27 HA ASN 27 -3.499 -4.277 12.540 190 HB2 ASN 27 1HB ASN 27 -1.393 -6.411 12.143 191 HB3 ASN 27 2HB ASN 27 -1.136 -4.670 12.213 192 HD21 ASN 27 1HD2 ASN 27 -1.729 -7.556 14.018 193 HD22 ASN 27 2HD2 ASN 27 -1.457 -6.882 15.585 194 H VAL 28 H VAL 28 -4.657 -3.809 10.722 195 HA VAL 28 HA VAL 28 -4.154 -5.361 8.291 196 HB VAL 28 HB VAL 28 -6.188 -3.193 8.833 197 HG11 VAL 28 1HG1 VAL 28 -5.382 -4.631 6.372 198 HG12 VAL 28 2HG1 VAL 28 -7.110 -4.384 6.634 199 HG13 VAL 28 3HG1 VAL 28 -6.019 -2.999 6.576 200 HG21 VAL 28 1HG2 VAL 28 -7.411 -5.644 8.209 201 HG22 VAL 28 2HG2 VAL 28 -6.156 -6.005 9.394 202 HG23 VAL 28 3HG2 VAL 28 -7.398 -4.809 9.763 203 H PHE 29 H PHE 29 -2.928 -4.632 6.673 204 HA PHE 29 HA PHE 29 -1.937 -1.867 6.840 205 HB2 PHE 29 1HB PHE 29 -0.222 -3.646 7.023 206 HB3 PHE 29 2HB PHE 29 -0.694 -4.240 5.434 207 HD1 PHE 29 1HD PHE 29 -0.736 -0.664 5.969 208 HD2 PHE 29 2HD PHE 29 1.655 -3.958 4.727 209 HE1 PHE 29 1HE PHE 29 0.856 0.892 4.919 210 HE2 PHE 29 2HE PHE 29 3.251 -2.409 3.676 211 HZ PHE 29 HZ PHE 29 2.853 0.020 3.772 212 H VAL 30 H VAL 30 -3.323 -0.691 5.623 213 HA VAL 30 HA VAL 30 -4.307 -1.666 3.087 214 HB VAL 30 HB VAL 30 -4.601 1.114 4.224 215 HG11 VAL 30 1HG1 VAL 30 -5.990 -0.430 2.057 216 HG12 VAL 30 2HG1 VAL 30 -6.746 0.960 2.839 217 HG13 VAL 30 3HG1 VAL 30 -5.225 1.156 1.967 218 HG21 VAL 30 1HG2 VAL 30 -6.888 0.201 4.931 219 HG22 VAL 30 2HG2 VAL 30 -6.161 -1.396 4.755 220 HG23 VAL 30 3HG2 VAL 30 -5.490 -0.245 5.910 221 H GLU 31 H GLU 31 -4.021 -0.517 1.074 222 HA GLU 31 HA GLU 31 -1.586 1.113 0.917 223 HB2 GLU 31 1HB GLU 31 -0.686 -0.931 0.258 224 HB3 GLU 31 2HB GLU 31 -2.167 -1.439 -0.541 225 HG2 GLU 31 1HG GLU 31 -1.730 0.363 -2.244 226 HG3 GLU 31 2HG GLU 31 -0.139 0.552 -1.510 227 H PHE 32 H PHE 32 -2.422 3.009 0.287 228 HA PHE 32 HA PHE 32 -4.639 3.159 -1.550 229 HB2 PHE 32 1HB PHE 32 -2.917 5.313 -0.308 230 HB3 PHE 32 2HB PHE 32 -4.332 5.622 -1.309 231 HD1 PHE 32 1HD PHE 32 -6.575 5.047 -0.496 232 HD2 PHE 32 2HD PHE 32 -3.126 4.623 1.962 233 HE1 PHE 32 1HE PHE 32 -8.015 4.909 1.494 234 HE2 PHE 32 2HE PHE 32 -4.561 4.483 3.956 235 HZ PHE 32 HZ PHE 32 -7.008 4.625 3.724 236 H TYR 33 H TYR 33 -4.078 2.470 -3.557 237 HA TYR 33 HA TYR 33 -1.732 3.705 -4.827 238 HB2 TYR 33 1HB TYR 33 -1.735 1.875 -6.387 239 HB3 TYR 33 2HB TYR 33 -1.855 1.205 -4.763 240 HD1 TYR 33 2HD TYR 33 -3.823 2.021 -7.797 241 HD2 TYR 33 1HD TYR 33 -3.675 -0.164 -4.149 242 HE1 TYR 33 2HE TYR 33 -5.839 0.780 -8.464 243 HE2 TYR 33 1HE TYR 33 -5.689 -1.411 -4.807 244 HH TYR 33 HH TYR 33 -7.276 -1.674 -6.334 245 H ALA 34 H ALA 34 -2.043 3.971 -7.286 246 HA ALA 34 HA ALA 34 -4.719 5.070 -7.841 247 HB1 ALA 34 1HB ALA 34 -2.835 6.763 -7.302 248 HB2 ALA 34 2HB ALA 34 -2.261 6.384 -8.927 249 HB3 ALA 34 3HB ALA 34 -3.878 7.050 -8.695 250 HA PRO 35 HA PRO 35 -4.498 2.533 -11.449 251 HB2 PRO 35 1HB PRO 35 -6.534 3.675 -12.834 252 HB3 PRO 35 2HB PRO 35 -6.794 2.611 -11.447 253 HG2 PRO 35 1HG PRO 35 -6.824 5.602 -11.572 254 HG3 PRO 35 2HG PRO 35 -7.930 4.507 -10.723 255 HD2 PRO 35 1HD PRO 35 -5.926 5.821 -9.461 256 HD3 PRO 35 2HD PRO 35 -6.481 4.212 -8.954 257 H TRP 36 H TRP 36 -3.613 5.744 -11.285 258 HA TRP 36 HA TRP 36 -2.772 5.742 -14.110 259 HB2 TRP 36 1HB TRP 36 -2.746 8.369 -13.572 260 HB3 TRP 36 2HB TRP 36 -4.169 7.542 -14.199 261 HD1 TRP 36 HD TRP 36 -6.239 7.242 -12.560 262 HE1 TRP 36 1HE TRP 36 -6.848 8.337 -10.311 263 HE3 TRP 36 3HE TRP 36 -1.696 9.275 -11.392 264 HZ2 TRP 36 2HZ TRP 36 -5.571 9.861 -8.308 265 HZ3 TRP 36 3HZ TRP 36 -1.474 10.537 -9.291 266 HH2 TRP 36 HH TRP 36 -3.373 10.823 -7.782 267 H CYS 37 H CYS 37 -1.937 6.342 -10.783 268 HA CYS 37 HA CYS 37 0.498 7.659 -11.085 269 HB2 CYS 37 1HB CYS 37 -0.549 7.409 -8.909 270 HB3 CYS 37 2HB CYS 37 -0.358 5.661 -8.983 271 HG CYS 37 HG CYS 37 2.153 7.964 -8.677 272 H GLY 38 H GLY 38 2.098 7.033 -12.384 273 HA2 GLY 38 1HA GLY 38 2.579 4.534 -13.427 274 HA3 GLY 38 2HA GLY 38 3.823 5.756 -13.209 275 H HIS 39 H HIS 39 3.751 5.850 -10.366 276 HA HIS 39 HA HIS 39 5.565 3.797 -9.749 277 HB2 HIS 39 1HB HIS 39 4.109 5.874 -8.176 278 HB3 HIS 39 2HB HIS 39 4.896 4.566 -7.299 279 HD1 HIS 39 1HD HIS 39 5.781 7.599 -7.215 280 HD2 HIS 39 2HD HIS 39 7.539 4.607 -9.500 281 HE1 HIS 39 1HE HIS 39 8.125 8.389 -7.669 282 HE2 HIS 39 2HE HIS 39 9.142 6.602 -9.124 283 H CYS 40 H CYS 40 2.101 4.121 -9.170 284 HA CYS 40 HA CYS 40 1.738 1.950 -7.456 285 HB2 CYS 40 1HB CYS 40 -0.177 3.199 -7.592 286 HB3 CYS 40 2HB CYS 40 0.005 3.488 -9.318 287 HG CYS 40 HG CYS 40 -0.873 0.406 -8.158 288 H LYS 41 H LYS 41 1.546 2.078 -11.005 289 HA LYS 41 HA LYS 41 0.816 -0.485 -11.595 290 HB2 LYS 41 1HB LYS 41 2.725 1.392 -12.958 291 HB3 LYS 41 2HB LYS 41 2.418 -0.210 -13.616 292 HG2 LYS 41 1HG LYS 41 0.071 0.291 -13.855 293 HG3 LYS 41 2HG LYS 41 0.298 1.859 -13.076 294 HD2 LYS 41 1HD LYS 41 1.820 2.510 -14.912 295 HD3 LYS 41 2HD LYS 41 1.489 0.967 -15.703 296 HE2 LYS 41 1HE LYS 41 -0.648 2.965 -14.984 297 HE3 LYS 41 2HE LYS 41 0.159 2.928 -16.551 298 HZ1 LYS 41 1HZ LYS 41 -1.863 1.160 -15.472 299 HZ2 LYS 41 2HZ LYS 41 -0.602 0.378 -16.284 300 HZ3 LYS 41 3HZ LYS 41 -1.517 1.558 -17.080 301 H GLN 42 H GLN 42 3.807 0.589 -10.223 302 HA GLN 42 HA GLN 42 5.143 -1.945 -10.724 303 HB2 GLN 42 1HB GLN 42 6.000 0.610 -9.373 304 HB3 GLN 42 2HB GLN 42 6.994 -0.841 -9.366 305 HG2 GLN 42 1HG GLN 42 5.994 0.274 -11.948 306 HG3 GLN 42 2HG GLN 42 7.394 0.990 -11.151 307 HE21 GLN 42 1HE2 GLN 42 6.126 -1.832 -12.738 308 HE22 GLN 42 2HE2 GLN 42 7.643 -2.616 -12.998 309 H LEU 43 H LEU 43 3.447 -0.294 -8.179 310 HA LEU 43 HA LEU 43 4.350 -2.081 -6.101 311 HB2 LEU 43 1HB LEU 43 3.584 0.388 -5.901 312 HB3 LEU 43 2HB LEU 43 1.959 -0.294 -5.883 313 HG LEU 43 HG LEU 43 2.644 -1.653 -3.893 314 HD11 LEU 43 1HD1 LEU 43 5.192 -0.394 -4.515 315 HD12 LEU 43 2HD1 LEU 43 4.837 -1.808 -3.524 316 HD13 LEU 43 3HD1 LEU 43 4.715 -0.192 -2.829 317 HD21 LEU 43 1HD2 LEU 43 2.776 1.353 -3.686 318 HD22 LEU 43 2HD2 LEU 43 2.541 0.258 -2.323 319 HD23 LEU 43 3HD2 LEU 43 1.330 0.346 -3.604 320 H ALA 44 H ALA 44 1.936 -2.105 -8.501 321 HA ALA 44 HA ALA 44 -0.176 -3.465 -7.356 322 HB1 ALA 44 1HB ALA 44 0.706 -2.864 -9.980 323 HB2 ALA 44 2HB ALA 44 0.267 -4.572 -9.937 324 HB3 ALA 44 3HB ALA 44 -0.904 -3.347 -9.447 325 HA PRO 45 HA PRO 45 2.083 -7.639 -8.328 326 HB2 PRO 45 1HB PRO 45 4.742 -7.495 -8.854 327 HB3 PRO 45 2HB PRO 45 3.507 -7.400 -10.115 328 HG2 PRO 45 1HG PRO 45 5.024 -5.192 -8.779 329 HG3 PRO 45 2HG PRO 45 4.630 -5.400 -10.495 330 HD2 PRO 45 1HD PRO 45 3.234 -3.743 -8.870 331 HD3 PRO 45 2HD PRO 45 2.483 -4.605 -10.228 332 H ILE 46 H ILE 46 4.411 -5.312 -6.947 333 HA ILE 46 HA ILE 46 5.515 -6.997 -5.024 334 HB ILE 46 HB ILE 46 5.116 -4.011 -4.803 335 HG12 ILE 46 1HG1 ILE 46 7.693 -5.256 -5.639 336 HG13 ILE 46 2HG1 ILE 46 6.399 -5.169 -6.829 337 HG21 ILE 46 1HG2 ILE 46 6.564 -6.008 -3.178 338 HG22 ILE 46 2HG2 ILE 46 7.405 -4.493 -3.501 339 HG23 ILE 46 3HG2 ILE 46 5.831 -4.475 -2.707 340 HD11 ILE 46 1HD1 ILE 46 8.162 -3.100 -5.854 341 HD12 ILE 46 2HD1 ILE 46 7.128 -3.127 -7.283 342 HD13 ILE 46 3HD1 ILE 46 6.465 -2.637 -5.724 343 H TRP 47 H TRP 47 2.678 -4.891 -4.844 344 HA TRP 47 HA TRP 47 2.158 -5.346 -2.092 345 HB2 TRP 47 1HB TRP 47 1.278 -3.437 -3.526 346 HB3 TRP 47 2HB TRP 47 0.107 -4.584 -4.171 347 HD1 TRP 47 HD TRP 47 -2.138 -4.546 -2.960 348 HE1 TRP 47 1HE TRP 47 -2.967 -3.876 -0.617 349 HE3 TRP 47 3HE TRP 47 2.348 -3.340 -0.824 350 HZ2 TRP 47 2HZ TRP 47 -1.866 -2.957 1.814 351 HZ3 TRP 47 3HZ TRP 47 2.373 -2.574 1.514 352 HH2 TRP 47 HH TRP 47 0.309 -2.386 2.804 353 H ASP 48 H ASP 48 1.177 -6.957 -5.054 354 HA ASP 48 HA ASP 48 -0.789 -8.625 -3.827 355 HB2 ASP 48 1HB ASP 48 -1.151 -8.414 -6.104 356 HB3 ASP 48 2HB ASP 48 0.563 -8.534 -6.494 357 H LYS 49 H LYS 49 2.649 -8.861 -4.414 358 HA LYS 49 HA LYS 49 2.847 -11.656 -3.838 359 HB2 LYS 49 1HB LYS 49 4.871 -9.434 -4.054 360 HB3 LYS 49 2HB LYS 49 5.329 -11.072 -3.606 361 HG2 LYS 49 1HG LYS 49 4.954 -11.900 -5.696 362 HG3 LYS 49 2HG LYS 49 3.711 -10.703 -6.068 363 HD2 LYS 49 1HD LYS 49 5.483 -10.039 -7.413 364 HD3 LYS 49 2HD LYS 49 5.665 -9.005 -5.994 365 HE2 LYS 49 1HE LYS 49 7.364 -10.491 -5.101 366 HE3 LYS 49 2HE LYS 49 7.145 -11.593 -6.460 367 HZ1 LYS 49 1HZ LYS 49 9.034 -9.773 -6.427 368 HZ2 LYS 49 2HZ LYS 49 7.800 -8.815 -7.075 369 HZ3 LYS 49 3HZ LYS 49 8.269 -10.236 -7.864 370 H LEU 50 H LEU 50 2.815 -8.746 -1.960 371 HA LEU 50 HA LEU 50 3.910 -10.015 0.403 372 HB2 LEU 50 1HB LEU 50 4.532 -7.826 0.432 373 HB3 LEU 50 2HB LEU 50 3.059 -7.284 -0.368 374 HG LEU 50 HG LEU 50 1.875 -7.720 1.836 375 HD11 LEU 50 1HD1 LEU 50 3.878 -7.317 3.653 376 HD12 LEU 50 2HD1 LEU 50 4.609 -8.468 2.535 377 HD13 LEU 50 3HD1 LEU 50 3.084 -8.859 3.330 378 HD21 LEU 50 1HD2 LEU 50 3.973 -5.617 2.155 379 HD22 LEU 50 2HD2 LEU 50 2.252 -5.553 2.534 380 HD23 LEU 50 3HD2 LEU 50 2.789 -5.490 0.855 381 H GLY 51 H GLY 51 0.777 -9.043 -0.863 382 HA2 GLY 51 1HA GLY 51 -0.746 -9.346 1.473 383 HA3 GLY 51 2HA GLY 51 -1.360 -9.505 -0.166 384 H GLU 52 H GLU 52 0.037 -11.708 -1.063 385 HA GLU 52 HA GLU 52 -1.496 -13.823 -0.060 386 HB2 GLU 52 1HB GLU 52 -0.373 -15.195 -1.575 387 HB3 GLU 52 2HB GLU 52 -0.261 -13.604 -2.315 388 HG2 GLU 52 1HG GLU 52 2.003 -13.355 -1.610 389 HG3 GLU 52 2HG GLU 52 1.912 -14.814 -0.626 390 H THR 53 H THR 53 1.603 -12.574 0.902 391 HA THR 53 HA THR 53 2.538 -14.820 2.338 392 HB THR 53 HB THR 53 3.154 -11.897 2.814 393 HG1 THR 53 1HG THR 53 3.635 -13.165 0.684 394 HG21 THR 53 1HG2 THR 53 3.871 -13.097 4.726 395 HG22 THR 53 2HG2 THR 53 5.308 -12.887 3.726 396 HG23 THR 53 3HG2 THR 53 4.470 -14.438 3.752 397 H TYR 54 H TYR 54 0.575 -12.031 3.273 398 HA TYR 54 HA TYR 54 0.125 -13.303 5.891 399 HB2 TYR 54 1HB TYR 54 -0.236 -10.392 5.154 400 HB3 TYR 54 2HB TYR 54 -0.419 -11.093 6.758 401 HD1 TYR 54 2HD TYR 54 2.049 -10.394 4.081 402 HD2 TYR 54 1HD TYR 54 1.444 -11.368 8.178 403 HE1 TYR 54 2HE TYR 54 4.432 -9.980 4.525 404 HE2 TYR 54 1HE TYR 54 3.826 -10.956 8.633 405 HH TYR 54 HH TYR 54 5.697 -9.740 7.689 406 H LYS 55 H LYS 55 -1.262 -14.039 3.481 407 HA LYS 55 HA LYS 55 -3.859 -12.816 3.512 408 HB2 LYS 55 1HB LYS 55 -4.424 -14.307 1.772 409 HB3 LYS 55 2HB LYS 55 -2.731 -13.912 1.509 410 HG2 LYS 55 1HG LYS 55 -2.200 -16.053 2.778 411 HG3 LYS 55 2HG LYS 55 -3.908 -16.453 2.581 412 HD2 LYS 55 1HD LYS 55 -3.723 -16.717 0.308 413 HD3 LYS 55 2HD LYS 55 -2.351 -15.612 0.184 414 HE2 LYS 55 1HE LYS 55 -1.362 -17.671 -0.180 415 HE3 LYS 55 2HE LYS 55 -1.093 -17.425 1.545 416 HZ1 LYS 55 1HZ LYS 55 -1.862 -19.613 1.319 417 HZ2 LYS 55 2HZ LYS 55 -3.093 -19.177 0.244 418 HZ3 LYS 55 3HZ LYS 55 -3.202 -18.743 1.876 419 H ASP 56 H ASP 56 -2.364 -15.624 4.960 420 HA ASP 56 HA ASP 56 -4.934 -16.285 6.242 421 HB2 ASP 56 1HB ASP 56 -4.185 -18.118 4.849 422 HB3 ASP 56 2HB ASP 56 -2.590 -18.082 5.596 423 H HIS 57 H HIS 57 -2.811 -14.336 7.037 424 HA HIS 57 HA HIS 57 -1.375 -15.365 9.245 425 HB2 HIS 57 1HB HIS 57 -1.290 -13.037 7.867 426 HB3 HIS 57 2HB HIS 57 -2.145 -12.509 9.313 427 HD1 HIS 57 1HD HIS 57 -0.822 -12.426 11.508 428 HD2 HIS 57 2HD HIS 57 1.389 -13.810 8.275 429 HE1 HIS 57 1HE HIS 57 1.570 -12.434 12.284 430 HE2 HIS 57 2HE HIS 57 2.898 -13.195 10.284 431 H GLU 58 H GLU 58 -1.798 -13.914 11.429 432 HA GLU 58 HA GLU 58 -4.491 -14.735 12.268 433 HB2 GLU 58 1HB GLU 58 -3.648 -14.883 14.501 434 HB3 GLU 58 2HB GLU 58 -2.505 -15.707 13.450 435 HG2 GLU 58 1HG GLU 58 -1.198 -13.522 13.433 436 HG3 GLU 58 2HG GLU 58 -2.223 -13.038 14.783 437 H ASN 59 H ASN 59 -2.149 -12.087 12.645 438 HA ASN 59 HA ASN 59 -4.408 -10.299 13.267 439 HB2 ASN 59 1HB ASN 59 -2.925 -8.951 14.603 440 HB3 ASN 59 2HB ASN 59 -2.768 -10.624 15.132 441 HD21 ASN 59 1HD2 ASN 59 -0.866 -11.717 14.786 442 HD22 ASN 59 2HD2 ASN 59 0.585 -10.933 14.270 443 H ILE 60 H ILE 60 -1.548 -10.827 11.353 444 HA ILE 60 HA ILE 60 -1.573 -8.191 10.177 445 HB ILE 60 HB ILE 60 -0.050 -10.650 9.306 446 HG12 ILE 60 1HG1 ILE 60 0.861 -8.326 11.017 447 HG13 ILE 60 2HG1 ILE 60 0.459 -9.926 11.629 448 HG21 ILE 60 1HG2 ILE 60 0.322 -9.390 7.491 449 HG22 ILE 60 2HG2 ILE 60 -0.247 -7.919 8.278 450 HG23 ILE 60 3HG2 ILE 60 1.406 -8.475 8.538 451 HD11 ILE 60 1HD1 ILE 60 2.793 -9.071 9.978 452 HD12 ILE 60 2HD1 ILE 60 2.760 -9.979 11.489 453 HD13 ILE 60 3HD1 ILE 60 2.264 -10.753 9.984 454 H VAL 61 H VAL 61 -3.070 -7.629 8.749 455 HA VAL 61 HA VAL 61 -3.869 -9.595 6.706 456 HB VAL 61 HB VAL 61 -5.601 -7.838 8.393 457 HG11 VAL 61 1HG1 VAL 61 -7.425 -8.282 6.658 458 HG12 VAL 61 2HG1 VAL 61 -6.253 -7.013 6.298 459 HG13 VAL 61 3HG1 VAL 61 -6.105 -8.595 5.532 460 HG21 VAL 61 1HG2 VAL 61 -5.340 -10.238 8.893 461 HG22 VAL 61 2HG2 VAL 61 -7.001 -9.814 8.478 462 HG23 VAL 61 3HG2 VAL 61 -5.974 -10.623 7.294 463 H ILE 62 H ILE 62 -3.063 -8.906 4.838 464 HA ILE 62 HA ILE 62 -2.557 -6.112 4.339 465 HB ILE 62 HB ILE 62 -2.271 -8.476 2.480 466 HG12 ILE 62 1HG1 ILE 62 -0.859 -8.596 4.527 467 HG13 ILE 62 2HG1 ILE 62 0.083 -8.439 3.049 468 HG21 ILE 62 1HG2 ILE 62 -0.532 -6.283 1.897 469 HG22 ILE 62 2HG2 ILE 62 -1.752 -7.038 0.873 470 HG23 ILE 62 3HG2 ILE 62 -2.201 -5.714 1.948 471 HD11 ILE 62 1HD1 ILE 62 0.645 -6.221 3.512 472 HD12 ILE 62 2HD1 ILE 62 -0.622 -6.063 4.729 473 HD13 ILE 62 3HD1 ILE 62 0.797 -7.058 5.057 474 H ALA 63 H ALA 63 -3.611 -4.768 2.936 475 HA ALA 63 HA ALA 63 -5.792 -5.774 1.304 476 HB1 ALA 63 1HB ALA 63 -7.291 -5.398 2.937 477 HB2 ALA 63 2HB ALA 63 -6.210 -4.323 3.825 478 HB3 ALA 63 3HB ALA 63 -7.123 -3.713 2.445 479 H LYS 64 H LYS 64 -6.500 -4.291 -0.288 480 HA LYS 64 HA LYS 64 -4.799 -1.905 -0.592 481 HB2 LYS 64 1HB LYS 64 -4.629 -2.303 -2.957 482 HB3 LYS 64 2HB LYS 64 -4.125 -3.762 -2.115 483 HG2 LYS 64 1HG LYS 64 -6.184 -4.853 -2.615 484 HG3 LYS 64 2HG LYS 64 -6.885 -3.359 -3.243 485 HD2 LYS 64 1HD LYS 64 -5.140 -3.358 -5.017 486 HD3 LYS 64 2HD LYS 64 -4.599 -4.932 -4.428 487 HE2 LYS 64 1HE LYS 64 -6.996 -5.708 -4.783 488 HE3 LYS 64 2HE LYS 64 -7.235 -4.211 -5.683 489 HZ1 LYS 64 1HZ LYS 64 -5.874 -6.617 -6.463 490 HZ2 LYS 64 2HZ LYS 64 -4.966 -5.221 -6.758 491 HZ3 LYS 64 3HZ LYS 64 -6.514 -5.379 -7.422 492 H MET 65 H MET 65 -5.773 -0.056 -1.304 493 HA MET 65 HA MET 65 -8.598 -0.193 -2.080 494 HB2 MET 65 1HB MET 65 -8.332 0.331 0.388 495 HB3 MET 65 2HB MET 65 -7.567 1.837 -0.100 496 HG2 MET 65 1HG MET 65 -9.563 2.596 -1.156 497 HG3 MET 65 2HG MET 65 -10.332 1.024 -0.950 498 HE1 MET 65 1HE MET 65 -10.829 4.518 1.650 499 HE2 MET 65 2HE MET 65 -9.920 4.419 0.142 500 HE3 MET 65 3HE MET 65 -11.637 4.014 0.164 501 H ASP 66 H ASP 66 -9.247 1.334 -3.549 502 HA ASP 66 HA ASP 66 -7.107 2.815 -4.854 503 HB2 ASP 66 1HB ASP 66 -8.602 1.471 -6.249 504 HB3 ASP 66 2HB ASP 66 -9.990 2.382 -5.662 505 H SER 67 H SER 67 -6.673 4.673 -3.801 506 HA SER 67 HA SER 67 -8.572 6.258 -2.448 507 HB2 SER 67 1HB SER 67 -5.924 6.210 -2.365 508 HB3 SER 67 2HB SER 67 -6.090 7.501 -3.554 509 HG SER 67 HG SER 67 -7.653 8.388 -1.909 510 H THR 68 H THR 68 -7.661 6.046 -5.768 511 HA THR 68 HA THR 68 -8.722 8.631 -6.497 512 HB THR 68 HB THR 68 -8.033 8.197 -8.679 513 HG1 THR 68 1HG THR 68 -8.649 5.560 -8.021 514 HG21 THR 68 1HG2 THR 68 -6.135 6.341 -7.285 515 HG22 THR 68 2HG2 THR 68 -6.194 8.051 -6.857 516 HG23 THR 68 3HG2 THR 68 -5.799 7.567 -8.506 517 H ALA 69 H ALA 69 -10.000 5.558 -5.895 518 HA ALA 69 HA ALA 69 -12.437 6.200 -7.426 519 HB1 ALA 69 1HB ALA 69 -12.908 3.729 -7.280 520 HB2 ALA 69 2HB ALA 69 -11.537 4.186 -8.291 521 HB3 ALA 69 3HB ALA 69 -11.263 3.533 -6.676 522 H ASN 70 H ASN 70 -11.089 5.747 -4.330 523 HA ASN 70 HA ASN 70 -13.765 5.930 -3.138 524 HB2 ASN 70 1HB ASN 70 -11.554 4.168 -2.060 525 HB3 ASN 70 2HB ASN 70 -13.166 4.361 -1.379 526 HD21 ASN 70 1HD2 ASN 70 -11.229 2.743 -3.664 527 HD22 ASN 70 2HD2 ASN 70 -12.467 1.761 -4.364 528 H GLU 71 H GLU 71 -13.943 7.483 -1.643 529 HA GLU 71 HA GLU 71 -11.461 8.635 -0.548 530 HB2 GLU 71 1HB GLU 71 -12.945 9.965 -2.292 531 HB3 GLU 71 2HB GLU 71 -13.908 10.315 -0.863 532 HG2 GLU 71 1HG GLU 71 -12.008 11.322 0.225 533 HG3 GLU 71 2HG GLU 71 -10.965 10.880 -1.126 534 H VAL 72 H VAL 72 -11.369 8.977 1.607 535 HA VAL 72 HA VAL 72 -13.818 8.801 3.196 536 HB VAL 72 HB VAL 72 -12.687 7.254 4.806 537 HG11 VAL 72 1HG1 VAL 72 -13.051 5.212 3.416 538 HG12 VAL 72 2HG1 VAL 72 -14.377 6.375 3.359 539 HG13 VAL 72 3HG1 VAL 72 -13.241 6.265 2.014 540 HG21 VAL 72 1HG2 VAL 72 -10.617 7.336 2.672 541 HG22 VAL 72 2HG2 VAL 72 -10.430 7.265 4.424 542 HG23 VAL 72 3HG2 VAL 72 -10.881 5.816 3.526 543 H GLU 73 H GLU 73 -13.782 9.997 5.048 544 HA GLU 73 HA GLU 73 -11.769 11.998 5.286 545 HB2 GLU 73 1HB GLU 73 -13.058 12.835 7.145 546 HB3 GLU 73 2HB GLU 73 -14.157 12.367 5.856 547 HG2 GLU 73 1HG GLU 73 -14.247 10.105 7.171 548 HG3 GLU 73 2HG GLU 73 -13.709 11.111 8.514 549 H ALA 74 H ALA 74 -12.383 8.940 6.844 550 HA ALA 74 HA ALA 74 -10.838 9.235 9.153 551 HB1 ALA 74 1HB ALA 74 -12.376 7.263 8.184 552 HB2 ALA 74 2HB ALA 74 -10.782 6.593 7.837 553 HB3 ALA 74 3HB ALA 74 -11.213 7.032 9.490 554 H VAL 75 H VAL 75 -9.886 9.057 5.877 555 HA VAL 75 HA VAL 75 -7.092 9.189 6.649 556 HB VAL 75 HB VAL 75 -8.208 6.948 4.986 557 HG11 VAL 75 1HG1 VAL 75 -5.824 6.444 4.373 558 HG12 VAL 75 2HG1 VAL 75 -6.520 7.857 3.577 559 HG13 VAL 75 3HG1 VAL 75 -5.412 8.064 4.934 560 HG21 VAL 75 1HG2 VAL 75 -7.915 6.050 7.045 561 HG22 VAL 75 2HG2 VAL 75 -6.254 5.878 6.477 562 HG23 VAL 75 3HG2 VAL 75 -6.697 7.237 7.511 563 H LYS 76 H LYS 76 -6.464 10.990 5.665 564 HA LYS 76 HA LYS 76 -7.555 11.651 3.027 565 HB2 LYS 76 1HB LYS 76 -6.221 13.246 5.191 566 HB3 LYS 76 2HB LYS 76 -6.275 13.862 3.544 567 HG2 LYS 76 1HG LYS 76 -8.747 12.987 5.005 568 HG3 LYS 76 2HG LYS 76 -8.103 14.626 5.127 569 HD2 LYS 76 1HD LYS 76 -8.508 15.083 2.877 570 HD3 LYS 76 2HD LYS 76 -8.614 13.373 2.452 571 HE2 LYS 76 1HE LYS 76 -10.817 14.371 2.408 572 HE3 LYS 76 2HE LYS 76 -10.712 13.210 3.731 573 HZ1 LYS 76 1HZ LYS 76 -10.634 14.900 5.307 574 HZ2 LYS 76 2HZ LYS 76 -11.788 15.454 4.202 575 HZ3 LYS 76 3HZ LYS 76 -10.221 16.089 4.176 576 H VAL 77 H VAL 77 -6.415 11.006 1.330 577 HA VAL 77 HA VAL 77 -3.486 10.838 1.568 578 HB VAL 77 HB VAL 77 -5.156 9.545 -0.581 579 HG11 VAL 77 1HG1 VAL 77 -2.943 9.584 -1.289 580 HG12 VAL 77 2HG1 VAL 77 -2.313 9.326 0.339 581 HG13 VAL 77 3HG1 VAL 77 -3.089 8.000 -0.528 582 HG21 VAL 77 1HG2 VAL 77 -5.842 8.781 1.694 583 HG22 VAL 77 2HG2 VAL 77 -5.167 7.507 0.679 584 HG23 VAL 77 3HG2 VAL 77 -4.187 8.231 1.954 585 H HIS 78 H HIS 78 -2.360 12.388 0.613 586 HA HIS 78 HA HIS 78 -3.553 13.780 -1.695 587 HB2 HIS 78 1HB HIS 78 -1.454 14.906 0.161 588 HB3 HIS 78 2HB HIS 78 -2.399 15.773 -1.047 589 HD1 HIS 78 1HD HIS 78 -2.238 16.279 2.149 590 HD2 HIS 78 2HD HIS 78 -5.356 14.562 0.006 591 HE1 HIS 78 1HE HIS 78 -4.289 16.607 3.566 592 HE2 HIS 78 2HE HIS 78 -6.148 15.485 2.289 593 H SER 79 H SER 79 -1.886 11.324 -1.639 594 HA SER 79 HA SER 79 -0.207 11.933 -3.831 595 HB2 SER 79 1HB SER 79 1.032 11.857 -1.122 596 HB3 SER 79 2HB SER 79 1.907 11.078 -2.440 597 HG SER 79 HG SER 79 2.519 13.002 -2.983 598 H PHE 80 H PHE 80 1.107 10.011 -4.500 599 HA PHE 80 HA PHE 80 0.464 7.473 -3.307 600 HB2 PHE 80 1HB PHE 80 -0.478 7.846 -6.139 601 HB3 PHE 80 2HB PHE 80 -0.865 6.550 -5.013 602 HD1 PHE 80 1HD PHE 80 -2.414 6.987 -3.123 603 HD2 PHE 80 2HD PHE 80 -1.755 9.829 -6.222 604 HE1 PHE 80 1HE PHE 80 -4.478 8.162 -2.480 605 HE2 PHE 80 2HE PHE 80 -3.818 11.009 -5.583 606 HZ PHE 80 HZ PHE 80 -5.182 10.177 -3.709 607 HA PRO 81 HA PRO 81 0.447 5.298 -4.196 608 HB2 PRO 81 1HB PRO 81 2.201 3.456 -3.246 609 HB3 PRO 81 2HB PRO 81 1.668 3.496 -4.931 610 HG2 PRO 81 1HG PRO 81 4.195 4.546 -3.719 611 HG3 PRO 81 2HG PRO 81 3.969 3.647 -5.230 612 HD2 PRO 81 1HD PRO 81 4.291 6.335 -5.169 613 HD3 PRO 81 2HD PRO 81 3.294 5.520 -6.391 614 H THR 82 H THR 82 -0.300 5.090 -2.127 615 HA THR 82 HA THR 82 1.402 6.170 0.025 616 HB THR 82 HB THR 82 -1.498 6.696 -0.560 617 HG1 THR 82 1HG THR 82 0.432 8.523 0.402 618 HG21 THR 82 1HG2 THR 82 -1.057 7.898 1.865 619 HG22 THR 82 2HG2 THR 82 -0.253 6.341 2.064 620 HG23 THR 82 3HG2 THR 82 -1.958 6.403 1.619 621 H LEU 83 H LEU 83 1.582 4.972 1.826 622 HA LEU 83 HA LEU 83 -0.208 2.649 2.115 623 HB2 LEU 83 1HB LEU 83 2.673 2.764 2.976 624 HB3 LEU 83 2HB LEU 83 1.612 1.357 2.969 625 HG LEU 83 HG LEU 83 2.599 2.792 0.504 626 HD11 LEU 83 1HD1 LEU 83 3.571 0.339 1.936 627 HD12 LEU 83 2HD1 LEU 83 4.489 1.755 1.428 628 HD13 LEU 83 3HD1 LEU 83 3.887 0.617 0.223 629 HD21 LEU 83 1HD2 LEU 83 0.823 0.432 0.977 630 HD22 LEU 83 2HD2 LEU 83 1.808 0.525 -0.482 631 HD23 LEU 83 3HD2 LEU 83 0.619 1.783 -0.139 632 H LYS 84 H LYS 84 -1.044 2.234 4.105 633 HA LYS 84 HA LYS 84 -0.101 3.800 6.391 634 HB2 LYS 84 1HB LYS 84 -3.034 3.618 5.703 635 HB3 LYS 84 2HB LYS 84 -2.287 4.580 6.973 636 HG2 LYS 84 1HG LYS 84 -1.023 5.623 4.871 637 HG3 LYS 84 2HG LYS 84 -2.508 5.102 4.072 638 HD2 LYS 84 1HD LYS 84 -3.830 6.537 5.298 639 HD3 LYS 84 2HD LYS 84 -2.688 6.608 6.643 640 HE2 LYS 84 1HE LYS 84 -1.861 7.701 3.998 641 HE3 LYS 84 2HE LYS 84 -2.983 8.636 4.985 642 HZ1 LYS 84 1HZ LYS 84 -1.422 8.799 6.711 643 HZ2 LYS 84 2HZ LYS 84 -0.545 9.116 5.300 644 HZ3 LYS 84 3HZ LYS 84 -0.420 7.606 6.051 645 H PHE 85 H PHE 85 0.100 2.568 8.140 646 HA PHE 85 HA PHE 85 -1.042 -0.115 8.107 647 HB2 PHE 85 1HB PHE 85 1.290 -0.051 8.635 648 HB3 PHE 85 2HB PHE 85 1.045 1.202 9.847 649 HD1 PHE 85 2HD PHE 85 0.430 -2.354 9.063 650 HD2 PHE 85 1HD PHE 85 0.493 0.659 12.069 651 HE1 PHE 85 2HE PHE 85 0.203 -4.085 10.797 652 HE2 PHE 85 1HE PHE 85 0.267 -1.067 13.808 653 HZ PHE 85 HZ PHE 85 0.121 -3.442 13.174 654 H PHE 86 H PHE 86 -2.696 -0.745 9.343 655 HA PHE 86 HA PHE 86 -3.750 1.180 11.301 656 HB2 PHE 86 1HB PHE 86 -5.189 -1.066 9.871 657 HB3 PHE 86 2HB PHE 86 -5.923 0.085 10.983 658 HD1 PHE 86 1HD PHE 86 -3.810 2.196 9.569 659 HD2 PHE 86 2HD PHE 86 -7.090 -0.241 8.377 660 HE1 PHE 86 1HE PHE 86 -4.256 3.722 7.691 661 HE2 PHE 86 2HE PHE 86 -7.541 1.280 6.496 662 HZ PHE 86 HZ PHE 86 -6.123 3.264 6.151 663 HA PRO 87 HA PRO 87 -2.262 -1.939 14.198 664 HB2 PRO 87 1HB PRO 87 -2.530 -0.350 16.383 665 HB3 PRO 87 2HB PRO 87 -1.153 -0.243 15.281 666 HG2 PRO 87 1HG PRO 87 -3.612 1.460 15.410 667 HG3 PRO 87 2HG PRO 87 -1.923 1.949 15.181 668 HD2 PRO 87 1HD PRO 87 -3.675 1.756 13.126 669 HD3 PRO 87 2HD PRO 87 -1.942 1.420 12.938 670 H ALA 88 H ALA 88 -3.197 -2.911 16.164 671 HA ALA 88 HA ALA 88 -6.021 -3.316 15.847 672 HB1 ALA 88 1HB ALA 88 -4.049 -4.930 16.668 673 HB2 ALA 88 2HB ALA 88 -4.660 -4.398 18.236 674 HB3 ALA 88 3HB ALA 88 -5.743 -5.186 17.089 675 H SER 89 H SER 89 -5.950 -0.741 16.349 676 HA SER 89 HA SER 89 -6.519 -0.412 19.218 677 HB2 SER 89 1HB SER 89 -4.771 1.046 17.862 678 HB3 SER 89 2HB SER 89 -6.219 1.936 17.394 679 HG SER 89 HG SER 89 -4.992 1.706 19.880 680 H ALA 90 H ALA 90 -8.455 0.420 19.898 681 HA ALA 90 HA ALA 90 -10.642 0.246 18.004 682 HB1 ALA 90 1HB ALA 90 -10.389 0.329 20.959 683 HB2 ALA 90 2HB ALA 90 -11.904 0.888 20.247 684 HB3 ALA 90 3HB ALA 90 -11.332 -0.750 19.930 685 H ASP 91 H ASP 91 -8.709 2.472 17.824 686 HA ASP 91 HA ASP 91 -10.649 4.675 18.014 687 HB2 ASP 91 1HB ASP 91 -7.702 4.835 18.684 688 HB3 ASP 91 2HB ASP 91 -8.804 6.207 18.615 689 H ARG 92 H ARG 92 -10.150 3.062 15.753 690 HA ARG 92 HA ARG 92 -9.318 3.089 13.594 691 HB2 ARG 92 1HB ARG 92 -10.585 5.793 14.024 692 HB3 ARG 92 2HB ARG 92 -10.070 5.228 12.441 693 HG2 ARG 92 1HG ARG 92 -11.554 3.154 13.039 694 HG3 ARG 92 2HG ARG 92 -12.317 4.293 14.150 695 HD2 ARG 92 1HD ARG 92 -11.861 5.170 11.349 696 HD3 ARG 92 2HD ARG 92 -13.141 3.995 11.646 697 HE ARG 92 HE ARG 92 -14.364 5.627 12.720 698 HH11 ARG 92 2HH1 ARG 92 -11.131 6.766 12.110 699 HH12 ARG 92 1HH1 ARG 92 -11.492 8.409 12.525 700 HH21 ARG 92 2HH2 ARG 92 -14.851 7.787 13.268 701 HH22 ARG 92 1HH2 ARG 92 -13.608 8.989 13.184 702 H THR 93 H THR 93 -7.158 3.447 15.211 703 HA THR 93 HA THR 93 -5.688 5.818 14.653 704 HB THR 93 HB THR 93 -4.747 3.116 15.631 705 HG1 THR 93 1HG THR 93 -6.199 4.776 16.872 706 HG21 THR 93 1HG2 THR 93 -2.868 4.241 14.643 707 HG22 THR 93 2HG2 THR 93 -2.733 4.385 16.396 708 HG23 THR 93 3HG2 THR 93 -3.296 5.755 15.439 709 H VAL 94 H VAL 94 -4.065 6.200 13.180 710 HA VAL 94 HA VAL 94 -3.594 4.132 11.140 711 HB VAL 94 HB VAL 94 -4.302 7.023 10.688 712 HG11 VAL 94 1HG1 VAL 94 -2.261 6.489 9.412 713 HG12 VAL 94 2HG1 VAL 94 -3.106 5.134 8.662 714 HG13 VAL 94 3HG1 VAL 94 -3.651 6.786 8.369 715 HG21 VAL 94 1HG2 VAL 94 -5.910 4.892 10.737 716 HG22 VAL 94 2HG2 VAL 94 -6.172 6.257 9.652 717 HG23 VAL 94 3HG2 VAL 94 -5.380 4.798 9.058 718 H ILE 95 H ILE 95 -1.525 3.908 10.474 719 HA ILE 95 HA ILE 95 0.444 5.818 11.553 720 HB ILE 95 HB ILE 95 0.764 2.851 11.093 721 HG12 ILE 95 1HG1 ILE 95 0.872 4.465 13.649 722 HG13 ILE 95 2HG1 ILE 95 -0.516 3.519 13.123 723 HG21 ILE 95 1HG2 ILE 95 2.971 3.622 12.467 724 HG22 ILE 95 2HG2 ILE 95 2.908 3.408 10.718 725 HG23 ILE 95 3HG2 ILE 95 2.719 5.016 11.418 726 HD11 ILE 95 1HD1 ILE 95 1.482 2.642 14.758 727 HD12 ILE 95 2HD1 ILE 95 0.379 1.612 13.845 728 HD13 ILE 95 3HD1 ILE 95 1.970 2.000 13.190 729 H ASP 96 H ASP 96 2.073 6.537 10.237 730 HA ASP 96 HA ASP 96 1.645 6.181 7.386 731 HB2 ASP 96 1HB ASP 96 3.301 8.060 9.047 732 HB3 ASP 96 2HB ASP 96 3.577 7.914 7.314 733 H TYR 97 H TYR 97 2.932 5.074 6.028 734 HA TYR 97 HA TYR 97 5.200 3.635 7.213 735 HB2 TYR 97 1HB TYR 97 3.411 2.255 6.223 736 HB3 TYR 97 2HB TYR 97 3.665 3.049 4.672 737 HD1 TYR 97 1HD TYR 97 5.887 2.749 3.508 738 HD2 TYR 97 2HD TYR 97 4.734 0.417 6.875 739 HE1 TYR 97 1HE TYR 97 7.593 1.076 2.926 740 HE2 TYR 97 2HE TYR 97 6.438 -1.262 6.303 741 HH TYR 97 HH TYR 97 8.941 -0.725 4.277 742 H ASN 98 H ASN 98 7.002 4.817 6.948 743 HA ASN 98 HA ASN 98 7.596 5.800 4.234 744 HB2 ASN 98 1HB ASN 98 8.033 7.047 6.915 745 HB3 ASN 98 2HB ASN 98 9.192 7.380 5.632 746 HD21 ASN 98 1HD2 ASN 98 5.728 7.395 6.334 747 HD22 ASN 98 2HD2 ASN 98 5.354 8.755 5.336 748 H GLY 99 H GLY 99 8.439 3.558 3.989 749 HA2 GLY 99 1HA GLY 99 11.225 3.445 4.959 750 HA3 GLY 99 2HA GLY 99 10.198 2.019 4.987 751 H GLU 100 H GLU 100 11.631 0.884 3.639 752 HA GLU 100 HA GLU 100 12.535 1.816 1.140 753 HB2 GLU 100 1HB GLU 100 12.977 -0.595 0.661 754 HB3 GLU 100 2HB GLU 100 13.653 -0.032 2.183 755 HG2 GLU 100 1HG GLU 100 11.588 -0.975 3.296 756 HG3 GLU 100 2HG GLU 100 11.235 -1.757 1.756 757 H ARG 101 H ARG 101 9.574 0.269 2.152 758 HA ARG 101 HA ARG 101 7.593 -0.074 1.087 759 HB2 ARG 101 1HB ARG 101 8.063 2.263 0.243 760 HB3 ARG 101 2HB ARG 101 8.726 1.524 -1.209 761 HG2 ARG 101 1HG ARG 101 6.530 0.426 -1.584 762 HG3 ARG 101 2HG ARG 101 5.894 1.335 -0.211 763 HD2 ARG 101 1HD ARG 101 5.383 2.397 -2.377 764 HD3 ARG 101 2HD ARG 101 6.358 3.424 -1.327 765 HE ARG 101 HE ARG 101 7.165 2.222 -3.837 766 HH11 ARG 101 2HH1 ARG 101 8.153 3.815 -0.903 767 HH12 ARG 101 1HH1 ARG 101 9.670 4.346 -1.548 768 HH21 ARG 101 2HH2 ARG 101 9.161 2.916 -4.697 769 HH22 ARG 101 1HH2 ARG 101 10.243 3.835 -3.706 770 H THR 102 H THR 102 9.340 -2.126 0.954 771 HA THR 102 HA THR 102 8.944 -3.167 -1.774 772 HB THR 102 HB THR 102 10.987 -4.508 -1.524 773 HG1 THR 102 1HG THR 102 10.818 -3.561 1.041 774 HG21 THR 102 1HG2 THR 102 12.065 -1.846 -0.895 775 HG22 THR 102 2HG2 THR 102 10.840 -1.867 -2.164 776 HG23 THR 102 3HG2 THR 102 12.293 -2.854 -2.324 777 H LEU 103 H LEU 103 8.959 -5.601 -1.834 778 HA LEU 103 HA LEU 103 6.917 -6.651 -0.289 779 HB2 LEU 103 1HB LEU 103 7.595 -7.642 -2.385 780 HB3 LEU 103 2HB LEU 103 9.160 -8.082 -1.705 781 HG LEU 103 HG LEU 103 8.064 -9.681 -0.212 782 HD11 LEU 103 1HD1 LEU 103 5.674 -8.306 -1.166 783 HD12 LEU 103 2HD1 LEU 103 5.936 -9.243 0.304 784 HD13 LEU 103 3HD1 LEU 103 5.544 -10.065 -1.206 785 HD21 LEU 103 1HD2 LEU 103 8.755 -10.177 -2.648 786 HD22 LEU 103 2HD2 LEU 103 7.021 -10.225 -2.968 787 HD23 LEU 103 3HD2 LEU 103 7.736 -11.341 -1.803 788 H ASP 104 H ASP 104 10.416 -7.222 0.075 789 HA ASP 104 HA ASP 104 10.122 -8.704 2.491 790 HB2 ASP 104 1HB ASP 104 12.417 -7.565 0.953 791 HB3 ASP 104 2HB ASP 104 12.685 -8.062 2.621 792 H GLY 105 H GLY 105 10.756 -5.328 1.723 793 HA2 GLY 105 1HA GLY 105 11.508 -4.462 4.291 794 HA3 GLY 105 2HA GLY 105 10.811 -3.448 3.037 795 H PHE 106 H PHE 106 8.331 -4.842 2.804 796 HA PHE 106 HA PHE 106 6.826 -3.509 4.756 797 HB2 PHE 106 1HB PHE 106 6.101 -5.788 2.910 798 HB3 PHE 106 2HB PHE 106 4.930 -4.952 3.925 799 HD1 PHE 106 2HD PHE 106 5.714 -2.169 3.689 800 HD2 PHE 106 1HD PHE 106 5.616 -5.226 0.729 801 HE1 PHE 106 2HE PHE 106 5.418 -0.462 1.942 802 HE2 PHE 106 1HE PHE 106 5.321 -3.524 -1.023 803 HZ PHE 106 HZ PHE 106 5.220 -1.139 -0.418 804 H LYS 107 H LYS 107 7.714 -6.935 4.470 805 HA LYS 107 HA LYS 107 6.343 -7.959 6.638 806 HB2 LYS 107 1HB LYS 107 9.140 -8.792 5.865 807 HB3 LYS 107 2HB LYS 107 7.901 -9.780 6.628 808 HG2 LYS 107 1HG LYS 107 6.547 -9.290 4.468 809 HG3 LYS 107 2HG LYS 107 8.125 -8.886 3.789 810 HD2 LYS 107 1HD LYS 107 8.779 -11.203 4.901 811 HD3 LYS 107 2HD LYS 107 7.053 -11.508 4.694 812 HE2 LYS 107 1HE LYS 107 8.561 -10.384 2.393 813 HE3 LYS 107 2HE LYS 107 8.821 -12.079 2.802 814 HZ1 LYS 107 1HZ LYS 107 6.051 -11.408 2.784 815 HZ2 LYS 107 2HZ LYS 107 6.865 -12.628 1.942 816 HZ3 LYS 107 3HZ LYS 107 6.775 -11.068 1.294 817 H LYS 108 H LYS 108 9.526 -6.403 6.580 818 HA LYS 108 HA LYS 108 10.258 -6.800 9.231 819 HB2 LYS 108 1HB LYS 108 10.828 -4.325 7.593 820 HB3 LYS 108 2HB LYS 108 11.760 -4.922 8.960 821 HG2 LYS 108 1HG LYS 108 11.974 -7.064 7.437 822 HG3 LYS 108 2HG LYS 108 11.667 -5.890 6.155 823 HD2 LYS 108 1HD LYS 108 13.974 -5.849 6.305 824 HD3 LYS 108 2HD LYS 108 13.515 -4.501 7.347 825 HE2 LYS 108 1HE LYS 108 14.045 -5.641 9.278 826 HE3 LYS 108 2HE LYS 108 13.823 -7.222 8.532 827 HZ1 LYS 108 1HZ LYS 108 16.181 -6.534 9.024 828 HZ2 LYS 108 2HZ LYS 108 16.036 -5.410 7.770 829 HZ3 LYS 108 3HZ LYS 108 15.882 -7.063 7.445 830 H PHE 109 H PHE 109 8.533 -4.020 7.818 831 HA PHE 109 HA PHE 109 8.140 -2.602 10.189 832 HB2 PHE 109 1HB PHE 109 7.751 -1.660 7.941 833 HB3 PHE 109 2HB PHE 109 6.335 -2.691 7.762 834 HD1 PHE 109 2HD PHE 109 7.738 0.207 9.527 835 HD2 PHE 109 1HD PHE 109 4.268 -2.157 8.827 836 HE1 PHE 109 2HE PHE 109 6.346 1.946 10.574 837 HE2 PHE 109 1HE PHE 109 2.871 -0.422 9.872 838 HZ PHE 109 HZ PHE 109 3.910 1.632 10.748 839 H LEU 110 H LEU 110 5.983 -4.925 8.572 840 HA LEU 110 HA LEU 110 3.911 -4.829 10.457 841 HB2 LEU 110 1HB LEU 110 4.772 -7.081 8.649 842 HB3 LEU 110 2HB LEU 110 3.250 -7.031 9.537 843 HG LEU 110 HG LEU 110 3.940 -4.865 7.587 844 HD11 LEU 110 1HD1 LEU 110 4.211 -6.661 6.152 845 HD12 LEU 110 2HD1 LEU 110 2.496 -6.289 5.984 846 HD13 LEU 110 3HD1 LEU 110 3.009 -7.644 6.989 847 HD21 LEU 110 1HD2 LEU 110 1.444 -4.864 7.372 848 HD22 LEU 110 2HD2 LEU 110 2.051 -4.418 8.967 849 HD23 LEU 110 3HD2 LEU 110 1.393 -6.032 8.692 850 H GLU 111 H GLU 111 6.301 -7.451 10.053 851 HA GLU 111 HA GLU 111 5.851 -8.991 12.193 852 HB2 GLU 111 1HB GLU 111 8.497 -8.038 11.117 853 HB3 GLU 111 2HB GLU 111 8.395 -9.233 12.402 854 HG2 GLU 111 1HG GLU 111 6.824 -10.483 10.755 855 HG3 GLU 111 2HG GLU 111 7.589 -9.461 9.540 856 H SER 112 H SER 112 7.406 -5.829 12.298 857 HA SER 112 HA SER 112 8.098 -5.915 15.049 858 HB2 SER 112 1HB SER 112 7.942 -3.794 12.954 859 HB3 SER 112 2HB SER 112 8.015 -3.290 14.643 860 HG SER 112 HG SER 112 10.058 -3.754 13.283 861 H GLY 113 H GLY 113 5.330 -4.561 13.288 862 HA2 GLY 113 1HA GLY 113 3.130 -4.789 14.333 863 HA3 GLY 113 2HA GLY 113 3.900 -4.421 15.869 864 H GLY 114 H GLY 114 4.508 -2.747 12.828 865 HA2 GLY 114 1HA GLY 114 4.139 -0.572 12.190 866 HA3 GLY 114 2HA GLY 114 2.729 -0.596 13.239 867 H GLN 115 H GLN 115 6.203 -0.892 13.949 868 HA GLN 115 HA GLN 115 5.939 0.936 16.160 869 HB2 GLN 115 1HB GLN 115 8.411 -0.361 14.999 870 HB3 GLN 115 2HB GLN 115 8.320 0.489 16.536 871 HG2 GLN 115 1HG GLN 115 6.541 -1.850 16.018 872 HG3 GLN 115 2HG GLN 115 8.225 -2.100 16.475 873 HE21 GLN 115 1HE2 GLN 115 8.897 -1.587 18.535 874 HE22 GLN 115 2HE2 GLN 115 7.795 -1.234 19.818 875 H SER 116 H SER 116 5.588 3.000 15.537 876 HA SER 116 HA SER 116 6.966 4.185 13.310 877 HB2 SER 116 1HB SER 116 4.616 4.779 14.100 878 HB3 SER 116 2HB SER 116 5.386 5.653 15.424 879 HG SER 116 HG SER 116 4.937 6.521 12.986 880 H GLY 117 H GLY 117 9.165 4.014 13.839 881 HA2 GLY 117 1HA GLY 117 11.159 4.823 14.640 882 HA3 GLY 117 2HA GLY 117 10.264 6.233 15.189 883 HA PRO 118 HA PRO 118 11.873 4.179 18.971 884 HB2 PRO 118 1HB PRO 118 12.396 6.505 20.269 885 HB3 PRO 118 2HB PRO 118 13.531 5.761 19.137 886 HG2 PRO 118 1HG PRO 118 11.608 8.012 18.687 887 HG3 PRO 118 2HG PRO 118 13.292 7.855 18.154 888 HD2 PRO 118 1HD PRO 118 11.194 7.384 16.509 889 HD3 PRO 118 2HD PRO 118 12.734 6.512 16.366 890 H SER 119 H SER 119 11.169 4.515 21.270 891 HA SER 119 HA SER 119 8.299 4.839 21.332 892 HB2 SER 119 1HB SER 119 10.232 4.125 23.551 893 HB3 SER 119 2HB SER 119 8.474 4.022 23.645 894 HG SER 119 HG SER 119 10.243 2.268 22.586 895 H SER 120 H SER 120 7.169 6.216 22.791 896 HA SER 120 HA SER 120 8.706 8.500 23.816 897 HB2 SER 120 1HB SER 120 6.264 8.604 22.044 898 HB3 SER 120 2HB SER 120 6.775 9.972 23.033 899 HG SER 120 HG SER 120 7.571 9.663 20.703 900 H GLY 121 H GLY 121 5.384 7.192 23.682 901 HA2 GLY 121 1HA GLY 121 4.510 8.310 26.097 902 HA3 GLY 121 2HA GLY 121 3.812 6.893 25.326 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -11.261 -23.316 10.726 2 HA2 GLY 1 1HA GLY 1 -12.833 -21.399 11.674 3 HA3 GLY 1 2HA GLY 1 -11.391 -20.462 11.311 4 H SER 2 H SER 2 -14.259 -21.765 10.084 5 HA SER 2 HA SER 2 -13.638 -22.086 7.367 6 HB2 SER 2 1HB SER 2 -16.275 -21.175 8.541 7 HB3 SER 2 2HB SER 2 -16.030 -21.926 6.964 8 HG SER 2 HG SER 2 -15.302 -23.199 9.384 9 H SER 3 H SER 3 -12.295 -20.398 6.705 10 HA SER 3 HA SER 3 -13.627 -17.782 6.437 11 HB2 SER 3 1HB SER 3 -10.669 -18.371 6.707 12 HB3 SER 3 2HB SER 3 -11.358 -16.775 6.409 13 HG SER 3 HG SER 3 -11.876 -18.410 8.673 14 H GLY 4 H GLY 4 -12.542 -16.478 4.573 15 HA2 GLY 4 1HA GLY 4 -12.091 -18.279 2.279 16 HA3 GLY 4 2HA GLY 4 -13.230 -16.945 2.172 17 H SER 5 H SER 5 -9.821 -17.728 2.694 18 HA SER 5 HA SER 5 -9.100 -14.996 1.902 19 HB2 SER 5 1HB SER 5 -6.891 -15.476 2.805 20 HB3 SER 5 2HB SER 5 -8.117 -15.895 4.002 21 HG SER 5 HG SER 5 -7.859 -18.087 2.788 22 H SER 6 H SER 6 -10.084 -16.525 -0.148 23 HA SER 6 HA SER 6 -8.315 -18.075 -1.608 24 HB2 SER 6 1HB SER 6 -10.392 -16.150 -2.683 25 HB3 SER 6 2HB SER 6 -9.653 -17.472 -3.586 26 HG SER 6 HG SER 6 -11.270 -17.700 -1.264 27 H GLY 7 H GLY 7 -8.925 -14.583 -2.048 28 HA2 GLY 7 1HA GLY 7 -6.719 -14.244 -3.824 29 HA3 GLY 7 2HA GLY 7 -7.650 -12.960 -3.069 30 HA PRO 8 HA PRO 8 -3.328 -13.655 -1.108 31 HB2 PRO 8 1HB PRO 8 -1.886 -11.809 -2.480 32 HB3 PRO 8 2HB PRO 8 -2.012 -13.499 -2.985 33 HG2 PRO 8 1HG PRO 8 -3.503 -11.106 -3.991 34 HG3 PRO 8 2HG PRO 8 -2.784 -12.443 -4.907 35 HD2 PRO 8 1HD PRO 8 -5.432 -12.310 -4.358 36 HD3 PRO 8 2HD PRO 8 -4.560 -13.851 -4.487 37 H VAL 9 H VAL 9 -4.508 -10.561 -2.444 38 HA VAL 9 HA VAL 9 -4.215 -9.395 0.249 39 HB VAL 9 HB VAL 9 -2.661 -8.198 -0.987 40 HG11 VAL 9 1HG1 VAL 9 -2.887 -7.520 -3.278 41 HG12 VAL 9 2HG1 VAL 9 -3.293 -9.234 -3.161 42 HG13 VAL 9 3HG1 VAL 9 -4.574 -8.030 -3.311 43 HG21 VAL 9 1HG2 VAL 9 -4.794 -6.344 -1.781 44 HG22 VAL 9 2HG2 VAL 9 -4.869 -6.884 -0.104 45 HG23 VAL 9 3HG2 VAL 9 -3.413 -6.096 -0.713 46 H LYS 10 H LYS 10 -5.979 -8.541 1.157 47 HA LYS 10 HA LYS 10 -8.529 -8.876 -0.019 48 HB2 LYS 10 1HB LYS 10 -7.668 -8.578 2.518 49 HB3 LYS 10 2HB LYS 10 -8.242 -6.944 2.212 50 HG2 LYS 10 1HG LYS 10 -10.025 -9.207 1.495 51 HG3 LYS 10 2HG LYS 10 -9.817 -8.810 3.202 52 HD2 LYS 10 1HD LYS 10 -10.647 -6.620 2.893 53 HD3 LYS 10 2HD LYS 10 -10.516 -6.737 1.137 54 HE2 LYS 10 1HE LYS 10 -12.800 -6.998 1.566 55 HE3 LYS 10 2HE LYS 10 -12.213 -8.642 1.321 56 HZ1 LYS 10 1HZ LYS 10 -12.191 -7.644 4.056 57 HZ2 LYS 10 2HZ LYS 10 -12.565 -9.185 3.469 58 HZ3 LYS 10 3HZ LYS 10 -13.713 -7.946 3.380 59 H VAL 11 H VAL 11 -10.030 -7.341 -0.738 60 HA VAL 11 HA VAL 11 -8.828 -4.804 -1.635 61 HB VAL 11 HB VAL 11 -11.190 -6.234 -2.858 62 HG11 VAL 11 1HG1 VAL 11 -9.649 -4.270 -4.407 63 HG12 VAL 11 2HG1 VAL 11 -11.393 -4.520 -4.301 64 HG13 VAL 11 3HG1 VAL 11 -10.553 -3.607 -3.047 65 HG21 VAL 11 1HG2 VAL 11 -8.270 -6.436 -3.355 66 HG22 VAL 11 2HG2 VAL 11 -9.527 -7.666 -3.484 67 HG23 VAL 11 3HG2 VAL 11 -9.347 -6.453 -4.752 68 H LEU 12 H LEU 12 -9.477 -3.123 -0.473 69 HA LEU 12 HA LEU 12 -12.087 -3.188 0.841 70 HB2 LEU 12 1HB LEU 12 -9.946 -1.097 1.133 71 HB3 LEU 12 2HB LEU 12 -11.309 -1.405 2.206 72 HG LEU 12 HG LEU 12 -9.207 -3.499 1.813 73 HD11 LEU 12 1HD1 LEU 12 -8.898 -0.898 3.157 74 HD12 LEU 12 2HD1 LEU 12 -7.681 -2.000 2.513 75 HD13 LEU 12 3HD1 LEU 12 -8.402 -2.309 4.092 76 HD21 LEU 12 1HD2 LEU 12 -10.209 -4.509 3.538 77 HD22 LEU 12 2HD2 LEU 12 -11.559 -3.421 3.215 78 HD23 LEU 12 3HD2 LEU 12 -10.367 -3.007 4.447 79 H VAL 13 H VAL 13 -13.623 -1.548 0.598 80 HA VAL 13 HA VAL 13 -13.220 0.242 -1.707 81 HB VAL 13 HB VAL 13 -15.681 -0.024 -2.173 82 HG11 VAL 13 1HG1 VAL 13 -15.409 -2.102 -3.415 83 HG12 VAL 13 2HG1 VAL 13 -13.956 -1.108 -3.535 84 HG13 VAL 13 3HG1 VAL 13 -13.985 -2.503 -2.456 85 HG21 VAL 13 1HG2 VAL 13 -15.834 -2.664 -0.977 86 HG22 VAL 13 2HG2 VAL 13 -15.674 -1.391 0.233 87 HG23 VAL 13 3HG2 VAL 13 -16.994 -1.336 -0.935 88 H GLY 14 H GLY 14 -14.748 2.106 -1.721 89 HA2 GLY 14 1HA GLY 14 -14.605 3.521 0.711 90 HA3 GLY 14 2HA GLY 14 -15.528 4.010 -0.702 91 H LYS 15 H LYS 15 -16.699 1.070 -0.128 92 HA LYS 15 HA LYS 15 -19.009 2.123 1.282 93 HB2 LYS 15 1HB LYS 15 -19.188 0.676 -0.774 94 HB3 LYS 15 2HB LYS 15 -18.598 -0.666 0.198 95 HG2 LYS 15 1HG LYS 15 -20.884 -0.962 0.261 96 HG3 LYS 15 2HG LYS 15 -20.572 -0.092 1.765 97 HD2 LYS 15 1HD LYS 15 -22.429 0.994 0.836 98 HD3 LYS 15 2HD LYS 15 -21.062 2.032 0.423 99 HE2 LYS 15 1HE LYS 15 -20.984 0.703 -1.775 100 HE3 LYS 15 2HE LYS 15 -22.601 0.152 -1.340 101 HZ1 LYS 15 1HZ LYS 15 -22.040 3.028 -1.272 102 HZ2 LYS 15 2HZ LYS 15 -23.484 2.221 -1.622 103 HZ3 LYS 15 3HZ LYS 15 -22.252 2.289 -2.779 104 H ASN 16 H ASN 16 -16.764 -0.619 1.647 105 HA ASN 16 HA ASN 16 -17.320 -0.561 4.538 106 HB2 ASN 16 1HB ASN 16 -16.967 -3.042 4.534 107 HB3 ASN 16 2HB ASN 16 -18.411 -2.523 3.671 108 HD21 ASN 16 1HD2 ASN 16 -15.245 -3.895 3.401 109 HD22 ASN 16 2HD2 ASN 16 -15.375 -4.394 1.752 110 H PHE 17 H PHE 17 -15.264 0.893 3.419 111 HA PHE 17 HA PHE 17 -12.803 -0.554 3.405 112 HB2 PHE 17 1HB PHE 17 -12.550 1.366 2.183 113 HB3 PHE 17 2HB PHE 17 -13.617 2.299 3.226 114 HD1 PHE 17 2HD PHE 17 -10.311 0.576 3.405 115 HD2 PHE 17 1HD PHE 17 -12.664 3.952 4.490 116 HE1 PHE 17 2HE PHE 17 -8.351 1.586 4.497 117 HE2 PHE 17 1HE PHE 17 -10.708 4.969 5.583 118 HZ PHE 17 HZ PHE 17 -8.548 3.785 5.589 119 H GLU 18 H GLU 18 -13.971 1.976 5.637 120 HA GLU 18 HA GLU 18 -12.050 1.474 7.622 121 HB2 GLU 18 1HB GLU 18 -14.768 2.778 7.755 122 HB3 GLU 18 2HB GLU 18 -13.668 2.714 9.125 123 HG2 GLU 18 1HG GLU 18 -12.081 4.076 8.046 124 HG3 GLU 18 2HG GLU 18 -12.879 3.899 6.484 125 H ASP 19 H ASP 19 -15.150 0.023 6.954 126 HA ASP 19 HA ASP 19 -15.509 -1.251 9.464 127 HB2 ASP 19 1HB ASP 19 -16.713 -1.502 6.749 128 HB3 ASP 19 2HB ASP 19 -16.948 -2.834 7.877 129 H VAL 20 H VAL 20 -13.788 -2.095 6.539 130 HA VAL 20 HA VAL 20 -13.150 -4.744 7.620 131 HB VAL 20 HB VAL 20 -12.735 -3.557 4.878 132 HG11 VAL 20 1HG1 VAL 20 -11.894 -6.257 5.928 133 HG12 VAL 20 2HG1 VAL 20 -11.877 -5.779 4.229 134 HG13 VAL 20 3HG1 VAL 20 -10.830 -4.958 5.389 135 HG21 VAL 20 1HG2 VAL 20 -14.274 -5.356 4.190 136 HG22 VAL 20 2HG2 VAL 20 -14.465 -5.816 5.882 137 HG23 VAL 20 3HG2 VAL 20 -15.017 -4.234 5.331 138 H ALA 21 H ALA 21 -11.846 -1.617 7.270 139 HA ALA 21 HA ALA 21 -9.078 -2.524 7.419 140 HB1 ALA 21 1HB ALA 21 -8.437 -0.387 6.858 141 HB2 ALA 21 2HB ALA 21 -10.001 -0.502 6.048 142 HB3 ALA 21 3HB ALA 21 -9.865 0.349 7.587 143 H PHE 22 H PHE 22 -11.035 -0.154 9.238 144 HA PHE 22 HA PHE 22 -9.315 -0.268 11.510 145 HB2 PHE 22 1HB PHE 22 -12.033 0.954 11.044 146 HB3 PHE 22 2HB PHE 22 -11.215 1.043 12.600 147 HD1 PHE 22 2HD PHE 22 -8.438 1.499 11.823 148 HD2 PHE 22 1HD PHE 22 -12.033 3.105 10.205 149 HE1 PHE 22 2HE PHE 22 -7.203 3.485 11.059 150 HE2 PHE 22 1HE PHE 22 -10.803 5.093 9.438 151 HZ PHE 22 HZ PHE 22 -8.385 5.286 9.866 152 H ASP 23 H ASP 23 -9.276 -2.534 11.961 153 HA ASP 23 HA ASP 23 -11.727 -3.539 13.251 154 HB2 ASP 23 1HB ASP 23 -10.532 -4.743 11.206 155 HB3 ASP 23 2HB ASP 23 -9.514 -5.389 12.491 156 H GLU 24 H GLU 24 -11.257 -5.148 15.044 157 HA GLU 24 HA GLU 24 -9.217 -3.976 16.794 158 HB2 GLU 24 1HB GLU 24 -11.330 -3.902 17.837 159 HB3 GLU 24 2HB GLU 24 -11.736 -5.534 17.322 160 HG2 GLU 24 1HG GLU 24 -10.468 -6.518 18.967 161 HG3 GLU 24 2HG GLU 24 -9.425 -5.109 19.154 162 H LYS 25 H LYS 25 -7.830 -5.305 18.039 163 HA LYS 25 HA LYS 25 -6.218 -6.926 18.143 164 HB2 LYS 25 1HB LYS 25 -8.700 -8.636 17.906 165 HB3 LYS 25 2HB LYS 25 -7.131 -9.215 18.449 166 HG2 LYS 25 1HG LYS 25 -8.594 -6.982 19.824 167 HG3 LYS 25 2HG LYS 25 -8.823 -8.682 20.245 168 HD2 LYS 25 1HD LYS 25 -6.076 -7.489 20.146 169 HD3 LYS 25 2HD LYS 25 -7.098 -7.277 21.570 170 HE2 LYS 25 1HE LYS 25 -7.138 -9.565 22.027 171 HE3 LYS 25 2HE LYS 25 -6.631 -9.994 20.394 172 HZ1 LYS 25 1HZ LYS 25 -4.526 -8.603 21.165 173 HZ2 LYS 25 2HZ LYS 25 -4.666 -10.265 21.443 174 HZ3 LYS 25 3HZ LYS 25 -5.026 -9.168 22.679 175 H LYS 26 H LYS 26 -6.594 -5.910 15.522 176 HA LYS 26 HA LYS 26 -5.451 -8.108 14.018 177 HB2 LYS 26 1HB LYS 26 -7.744 -8.472 13.462 178 HB3 LYS 26 2HB LYS 26 -8.022 -6.754 13.207 179 HG2 LYS 26 1HG LYS 26 -7.886 -7.508 11.051 180 HG3 LYS 26 2HG LYS 26 -6.212 -7.031 11.346 181 HD2 LYS 26 1HD LYS 26 -6.318 -9.208 10.251 182 HD3 LYS 26 2HD LYS 26 -5.647 -9.354 11.877 183 HE2 LYS 26 1HE LYS 26 -8.577 -9.687 11.580 184 HE3 LYS 26 2HE LYS 26 -7.553 -10.975 10.947 185 HZ1 LYS 26 1HZ LYS 26 -7.397 -11.738 13.005 186 HZ2 LYS 26 2HZ LYS 26 -8.234 -10.408 13.631 187 HZ3 LYS 26 3HZ LYS 26 -6.553 -10.339 13.447 188 H ASN 27 H ASN 27 -3.757 -7.362 12.933 189 HA ASN 27 HA ASN 27 -3.478 -4.482 12.552 190 HB2 ASN 27 1HB ASN 27 -1.429 -6.652 12.062 191 HB3 ASN 27 2HB ASN 27 -1.131 -4.919 12.168 192 HD21 ASN 27 1HD2 ASN 27 -1.788 -7.830 13.922 193 HD22 ASN 27 2HD2 ASN 27 -1.455 -7.202 15.497 194 H VAL 28 H VAL 28 -4.556 -3.864 10.756 195 HA VAL 28 HA VAL 28 -4.163 -5.395 8.282 196 HB VAL 28 HB VAL 28 -6.148 -3.197 8.882 197 HG11 VAL 28 1HG1 VAL 28 -7.055 -3.503 6.758 198 HG12 VAL 28 2HG1 VAL 28 -5.314 -3.540 6.471 199 HG13 VAL 28 3HG1 VAL 28 -6.232 -5.045 6.525 200 HG21 VAL 28 1HG2 VAL 28 -7.797 -5.087 8.720 201 HG22 VAL 28 2HG2 VAL 28 -6.426 -6.194 8.772 202 HG23 VAL 28 3HG2 VAL 28 -6.749 -5.126 10.138 203 H PHE 29 H PHE 29 -3.004 -4.619 6.628 204 HA PHE 29 HA PHE 29 -1.991 -1.862 6.848 205 HB2 PHE 29 1HB PHE 29 -0.268 -3.640 7.044 206 HB3 PHE 29 2HB PHE 29 -0.708 -4.210 5.437 207 HD1 PHE 29 1HD PHE 29 -0.783 -0.644 6.039 208 HD2 PHE 29 2HD PHE 29 1.648 -3.899 4.769 209 HE1 PHE 29 1HE PHE 29 0.814 0.941 5.044 210 HE2 PHE 29 2HE PHE 29 3.249 -2.320 3.773 211 HZ PHE 29 HZ PHE 29 2.834 0.104 3.910 212 H VAL 30 H VAL 30 -3.374 -0.697 5.617 213 HA VAL 30 HA VAL 30 -4.323 -1.678 3.070 214 HB VAL 30 HB VAL 30 -4.656 1.088 4.234 215 HG11 VAL 30 1HG1 VAL 30 -6.733 1.008 2.784 216 HG12 VAL 30 2HG1 VAL 30 -5.191 1.131 1.935 217 HG13 VAL 30 3HG1 VAL 30 -6.029 -0.419 2.024 218 HG21 VAL 30 1HG2 VAL 30 -6.965 0.139 4.843 219 HG22 VAL 30 2HG2 VAL 30 -6.204 -1.444 4.675 220 HG23 VAL 30 3HG2 VAL 30 -5.595 -0.294 5.866 221 H GLU 31 H GLU 31 -4.067 -0.443 1.074 222 HA GLU 31 HA GLU 31 -1.643 1.194 0.940 223 HB2 GLU 31 1HB GLU 31 -0.711 -0.860 0.320 224 HB3 GLU 31 2HB GLU 31 -2.155 -1.361 -0.549 225 HG2 GLU 31 1HG GLU 31 -1.617 0.570 -2.149 226 HG3 GLU 31 2HG GLU 31 -0.021 0.554 -1.401 227 H PHE 32 H PHE 32 -2.494 3.069 0.276 228 HA PHE 32 HA PHE 32 -4.689 3.161 -1.595 229 HB2 PHE 32 1HB PHE 32 -3.038 5.373 -0.357 230 HB3 PHE 32 2HB PHE 32 -4.471 5.622 -1.349 231 HD1 PHE 32 1HD PHE 32 -6.685 4.956 -0.516 232 HD2 PHE 32 2HD PHE 32 -3.204 4.710 1.921 233 HE1 PHE 32 1HE PHE 32 -8.104 4.782 1.487 234 HE2 PHE 32 2HE PHE 32 -4.617 4.534 3.927 235 HZ PHE 32 HZ PHE 32 -7.070 4.569 3.712 236 H TYR 33 H TYR 33 -4.053 2.451 -3.579 237 HA TYR 33 HA TYR 33 -1.717 3.738 -4.813 238 HB2 TYR 33 1HB TYR 33 -1.668 1.906 -6.374 239 HB3 TYR 33 2HB TYR 33 -1.791 1.240 -4.750 240 HD1 TYR 33 2HD TYR 33 -3.741 2.001 -7.808 241 HD2 TYR 33 1HD TYR 33 -3.593 -0.159 -4.146 242 HE1 TYR 33 2HE TYR 33 -5.725 0.718 -8.492 243 HE2 TYR 33 1HE TYR 33 -5.576 -1.449 -4.820 244 HH TYR 33 HH TYR 33 -6.616 -2.058 -7.307 245 H ALA 34 H ALA 34 -1.999 3.962 -7.292 246 HA ALA 34 HA ALA 34 -4.673 5.045 -7.884 247 HB1 ALA 34 1HB ALA 34 -2.757 6.733 -7.360 248 HB2 ALA 34 2HB ALA 34 -2.236 6.357 -9.003 249 HB3 ALA 34 3HB ALA 34 -3.844 7.025 -8.718 250 HA PRO 35 HA PRO 35 -4.412 2.451 -11.449 251 HB2 PRO 35 1HB PRO 35 -6.456 3.550 -12.858 252 HB3 PRO 35 2HB PRO 35 -6.709 2.503 -11.456 253 HG2 PRO 35 1HG PRO 35 -6.771 5.492 -11.624 254 HG3 PRO 35 2HG PRO 35 -7.867 4.397 -10.763 255 HD2 PRO 35 1HD PRO 35 -5.882 5.751 -9.514 256 HD3 PRO 35 2HD PRO 35 -6.421 4.144 -8.986 257 H TRP 36 H TRP 36 -3.616 5.703 -11.345 258 HA TRP 36 HA TRP 36 -2.756 5.664 -14.164 259 HB2 TRP 36 1HB TRP 36 -2.746 8.298 -13.646 260 HB3 TRP 36 2HB TRP 36 -4.162 7.455 -14.269 261 HD1 TRP 36 HD TRP 36 -6.230 7.142 -12.627 262 HE1 TRP 36 1HE TRP 36 -6.851 8.250 -10.388 263 HE3 TRP 36 3HE TRP 36 -1.711 9.237 -11.475 264 HZ2 TRP 36 2HZ TRP 36 -5.592 9.806 -8.397 265 HZ3 TRP 36 3HZ TRP 36 -1.503 10.519 -9.386 266 HH2 TRP 36 HH TRP 36 -3.405 10.797 -7.880 267 H CYS 37 H CYS 37 -1.918 6.331 -10.846 268 HA CYS 37 HA CYS 37 0.524 7.636 -11.205 269 HB2 CYS 37 1HB CYS 37 -0.586 7.454 -9.025 270 HB3 CYS 37 2HB CYS 37 -0.286 5.720 -9.008 271 HG CYS 37 HG CYS 37 2.603 7.098 -9.459 272 H GLY 38 H GLY 38 1.998 6.886 -12.616 273 HA2 GLY 38 1HA GLY 38 2.496 4.354 -13.481 274 HA3 GLY 38 2HA GLY 38 3.754 5.571 -13.329 275 H HIS 39 H HIS 39 3.788 5.824 -10.530 276 HA HIS 39 HA HIS 39 5.577 3.823 -9.803 277 HB2 HIS 39 1HB HIS 39 3.966 5.800 -8.214 278 HB3 HIS 39 2HB HIS 39 4.991 4.620 -7.402 279 HD1 HIS 39 1HD HIS 39 5.189 7.947 -8.048 280 HD2 HIS 39 2HD HIS 39 7.695 4.810 -9.116 281 HE1 HIS 39 1HE HIS 39 7.427 8.999 -8.501 282 HE2 HIS 39 2HE HIS 39 8.905 7.094 -9.227 283 H CYS 40 H CYS 40 2.105 4.088 -9.181 284 HA CYS 40 HA CYS 40 1.815 1.906 -7.470 285 HB2 CYS 40 1HB CYS 40 -0.126 3.114 -7.552 286 HB3 CYS 40 2HB CYS 40 0.018 3.431 -9.277 287 HG CYS 40 HG CYS 40 -1.478 1.495 -10.117 288 H LYS 41 H LYS 41 1.553 2.042 -11.013 289 HA LYS 41 HA LYS 41 0.832 -0.510 -11.621 290 HB2 LYS 41 1HB LYS 41 2.750 1.371 -12.962 291 HB3 LYS 41 2HB LYS 41 2.459 -0.230 -13.628 292 HG2 LYS 41 1HG LYS 41 0.857 0.841 -14.780 293 HG3 LYS 41 2HG LYS 41 -0.076 0.600 -13.301 294 HD2 LYS 41 1HD LYS 41 1.005 2.873 -12.597 295 HD3 LYS 41 2HD LYS 41 1.246 3.073 -14.334 296 HE2 LYS 41 1HE LYS 41 -1.436 2.267 -13.301 297 HE3 LYS 41 2HE LYS 41 -0.934 3.952 -13.185 298 HZ1 LYS 41 1HZ LYS 41 -2.204 3.314 -15.241 299 HZ2 LYS 41 2HZ LYS 41 -0.844 2.433 -15.726 300 HZ3 LYS 41 3HZ LYS 41 -0.734 4.107 -15.510 301 H GLN 42 H GLN 42 3.816 0.531 -10.215 302 HA GLN 42 HA GLN 42 5.122 -2.024 -10.716 303 HB2 GLN 42 1HB GLN 42 6.024 0.546 -9.431 304 HB3 GLN 42 2HB GLN 42 6.993 -0.920 -9.366 305 HG2 GLN 42 1HG GLN 42 6.029 0.043 -12.009 306 HG3 GLN 42 2HG GLN 42 7.370 0.882 -11.230 307 HE21 GLN 42 1HE2 GLN 42 6.343 -1.946 -12.881 308 HE22 GLN 42 2HE2 GLN 42 7.884 -2.723 -12.969 309 H LEU 43 H LEU 43 3.474 -0.313 -8.180 310 HA LEU 43 HA LEU 43 4.369 -2.076 -6.081 311 HB2 LEU 43 1HB LEU 43 3.624 0.399 -5.912 312 HB3 LEU 43 2HB LEU 43 1.992 -0.266 -5.886 313 HG LEU 43 HG LEU 43 2.651 -1.596 -3.874 314 HD11 LEU 43 1HD1 LEU 43 5.223 -0.343 -4.489 315 HD12 LEU 43 2HD1 LEU 43 4.859 -1.807 -3.577 316 HD13 LEU 43 3HD1 LEU 43 4.743 -0.230 -2.796 317 HD21 LEU 43 1HD2 LEU 43 2.901 1.403 -3.665 318 HD22 LEU 43 2HD2 LEU 43 2.542 0.305 -2.332 319 HD23 LEU 43 3HD2 LEU 43 1.398 0.479 -3.664 320 H ALA 44 H ALA 44 1.924 -2.105 -8.458 321 HA ALA 44 HA ALA 44 -0.182 -3.440 -7.281 322 HB1 ALA 44 1HB ALA 44 0.244 -4.582 -9.853 323 HB2 ALA 44 2HB ALA 44 -0.930 -3.358 -9.367 324 HB3 ALA 44 3HB ALA 44 0.674 -2.873 -9.917 325 HA PRO 45 HA PRO 45 2.032 -7.645 -8.216 326 HB2 PRO 45 1HB PRO 45 4.684 -7.532 -8.783 327 HB3 PRO 45 2HB PRO 45 3.432 -7.446 -10.027 328 HG2 PRO 45 1HG PRO 45 4.986 -5.231 -8.749 329 HG3 PRO 45 2HG PRO 45 4.565 -5.462 -10.455 330 HD2 PRO 45 1HD PRO 45 3.208 -3.768 -8.836 331 HD3 PRO 45 2HD PRO 45 2.429 -4.645 -10.169 332 H ILE 46 H ILE 46 4.403 -5.319 -6.908 333 HA ILE 46 HA ILE 46 5.524 -6.980 -4.977 334 HB ILE 46 HB ILE 46 5.142 -3.990 -4.793 335 HG12 ILE 46 1HG1 ILE 46 7.704 -5.257 -5.641 336 HG13 ILE 46 2HG1 ILE 46 6.395 -5.187 -6.816 337 HG21 ILE 46 1HG2 ILE 46 6.436 -5.948 -3.070 338 HG22 ILE 46 2HG2 ILE 46 7.509 -4.636 -3.556 339 HG23 ILE 46 3HG2 ILE 46 5.985 -4.275 -2.745 340 HD11 ILE 46 1HD1 ILE 46 6.466 -2.637 -5.778 341 HD12 ILE 46 2HD1 ILE 46 8.165 -3.099 -5.882 342 HD13 ILE 46 3HD1 ILE 46 7.144 -3.163 -7.319 343 H TRP 47 H TRP 47 2.679 -4.893 -4.805 344 HA TRP 47 HA TRP 47 2.203 -5.297 -2.031 345 HB2 TRP 47 1HB TRP 47 1.310 -3.399 -3.460 346 HB3 TRP 47 2HB TRP 47 0.139 -4.546 -4.103 347 HD1 TRP 47 HD TRP 47 -2.102 -4.535 -2.882 348 HE1 TRP 47 1HE TRP 47 -2.933 -3.851 -0.544 349 HE3 TRP 47 3HE TRP 47 2.375 -3.258 -0.772 350 HZ2 TRP 47 2HZ TRP 47 -1.836 -2.895 1.874 351 HZ3 TRP 47 3HZ TRP 47 2.398 -2.468 1.559 352 HH2 TRP 47 HH TRP 47 0.335 -2.290 2.852 353 H ASP 48 H ASP 48 1.108 -6.903 -4.967 354 HA ASP 48 HA ASP 48 -0.811 -8.567 -3.671 355 HB2 ASP 48 1HB ASP 48 -1.250 -8.358 -5.935 356 HB3 ASP 48 2HB ASP 48 0.449 -8.484 -6.382 357 H LYS 49 H LYS 49 2.608 -8.770 -4.269 358 HA LYS 49 HA LYS 49 2.832 -11.581 -3.762 359 HB2 LYS 49 1HB LYS 49 4.795 -9.324 -4.033 360 HB3 LYS 49 2HB LYS 49 5.324 -10.904 -3.471 361 HG2 LYS 49 1HG LYS 49 4.994 -11.893 -5.502 362 HG3 LYS 49 2HG LYS 49 3.723 -10.761 -5.971 363 HD2 LYS 49 1HD LYS 49 5.472 -10.103 -7.330 364 HD3 LYS 49 2HD LYS 49 5.654 -9.012 -5.954 365 HE2 LYS 49 1HE LYS 49 7.813 -9.885 -6.541 366 HE3 LYS 49 2HE LYS 49 7.320 -10.581 -4.998 367 HZ1 LYS 49 1HZ LYS 49 7.699 -12.557 -5.892 368 HZ2 LYS 49 2HZ LYS 49 7.957 -11.896 -7.427 369 HZ3 LYS 49 3HZ LYS 49 6.391 -12.308 -6.935 370 H LEU 50 H LEU 50 2.860 -8.687 -1.836 371 HA LEU 50 HA LEU 50 3.965 -9.982 0.497 372 HB2 LEU 50 1HB LEU 50 4.529 -7.782 0.576 373 HB3 LEU 50 2HB LEU 50 3.048 -7.262 -0.225 374 HG LEU 50 HG LEU 50 1.868 -7.775 1.974 375 HD11 LEU 50 1HD1 LEU 50 4.731 -8.080 2.779 376 HD12 LEU 50 2HD1 LEU 50 3.333 -9.063 3.215 377 HD13 LEU 50 3HD1 LEU 50 3.541 -7.463 3.927 378 HD21 LEU 50 1HD2 LEU 50 2.297 -5.610 2.815 379 HD22 LEU 50 2HD2 LEU 50 2.514 -5.504 1.067 380 HD23 LEU 50 3HD2 LEU 50 3.921 -5.582 2.128 381 H GLY 51 H GLY 51 0.791 -9.033 -0.699 382 HA2 GLY 51 1HA GLY 51 -0.685 -9.454 1.651 383 HA3 GLY 51 2HA GLY 51 -1.325 -9.553 0.017 384 H GLU 52 H GLU 52 0.157 -11.697 -0.967 385 HA GLU 52 HA GLU 52 -1.348 -13.878 -0.036 386 HB2 GLU 52 1HB GLU 52 -0.261 -15.151 -1.647 387 HB3 GLU 52 2HB GLU 52 -0.133 -13.524 -2.302 388 HG2 GLU 52 1HG GLU 52 2.139 -13.341 -1.566 389 HG3 GLU 52 2HG GLU 52 2.030 -14.878 -0.711 390 H THR 53 H THR 53 1.685 -12.564 0.983 391 HA THR 53 HA THR 53 2.672 -14.884 2.311 392 HB THR 53 HB THR 53 3.355 -11.968 2.733 393 HG1 THR 53 1HG THR 53 5.015 -13.851 1.458 394 HG21 THR 53 1HG2 THR 53 5.178 -14.210 3.471 395 HG22 THR 53 2HG2 THR 53 3.870 -13.781 4.574 396 HG23 THR 53 3HG2 THR 53 5.079 -12.577 4.128 397 H TYR 54 H TYR 54 0.654 -12.167 3.261 398 HA TYR 54 HA TYR 54 0.300 -13.429 5.901 399 HB2 TYR 54 1HB TYR 54 -0.029 -10.500 5.223 400 HB3 TYR 54 2HB TYR 54 -0.172 -11.227 6.819 401 HD1 TYR 54 2HD TYR 54 2.211 -10.467 4.091 402 HD2 TYR 54 1HD TYR 54 1.739 -11.605 8.163 403 HE1 TYR 54 2HE TYR 54 4.614 -10.097 4.467 404 HE2 TYR 54 1HE TYR 54 4.139 -11.237 8.551 405 HH TYR 54 HH TYR 54 6.002 -10.125 7.643 406 H LYS 55 H LYS 55 -1.147 -14.009 3.435 407 HA LYS 55 HA LYS 55 -3.725 -12.769 3.602 408 HB2 LYS 55 1HB LYS 55 -4.333 -14.106 1.780 409 HB3 LYS 55 2HB LYS 55 -2.613 -13.831 1.538 410 HG2 LYS 55 1HG LYS 55 -2.224 -16.054 2.668 411 HG3 LYS 55 2HG LYS 55 -3.966 -16.317 2.545 412 HD2 LYS 55 1HD LYS 55 -3.907 -16.555 0.273 413 HD3 LYS 55 2HD LYS 55 -2.507 -15.496 0.089 414 HE2 LYS 55 1HE LYS 55 -1.602 -17.564 -0.384 415 HE3 LYS 55 2HE LYS 55 -1.244 -17.399 1.334 416 HZ1 LYS 55 1HZ LYS 55 -3.742 -18.706 0.507 417 HZ2 LYS 55 2HZ LYS 55 -2.819 -18.943 1.905 418 HZ3 LYS 55 3HZ LYS 55 -2.292 -19.575 0.426 419 H ASP 56 H ASP 56 -2.244 -15.672 4.869 420 HA ASP 56 HA ASP 56 -4.802 -16.389 6.143 421 HB2 ASP 56 1HB ASP 56 -3.980 -18.668 6.301 422 HB3 ASP 56 2HB ASP 56 -3.864 -18.118 4.632 423 H HIS 57 H HIS 57 -2.650 -14.446 6.986 424 HA HIS 57 HA HIS 57 -1.254 -15.515 9.194 425 HB2 HIS 57 1HB HIS 57 -1.142 -13.165 7.866 426 HB3 HIS 57 2HB HIS 57 -2.033 -12.659 9.299 427 HD1 HIS 57 1HD HIS 57 -0.761 -12.595 11.522 428 HD2 HIS 57 2HD HIS 57 1.526 -13.952 8.331 429 HE1 HIS 57 1HE HIS 57 1.611 -12.615 12.356 430 HE2 HIS 57 2HE HIS 57 2.987 -13.358 10.381 431 H GLU 58 H GLU 58 -1.700 -14.116 11.403 432 HA GLU 58 HA GLU 58 -4.390 -14.975 12.205 433 HB2 GLU 58 1HB GLU 58 -3.542 -15.009 14.483 434 HB3 GLU 58 2HB GLU 58 -2.495 -15.956 13.436 435 HG2 GLU 58 1HG GLU 58 -1.110 -13.771 13.270 436 HG3 GLU 58 2HG GLU 58 -1.984 -13.318 14.733 437 H ASN 59 H ASN 59 -2.106 -12.283 12.646 438 HA ASN 59 HA ASN 59 -4.411 -10.546 13.244 439 HB2 ASN 59 1HB ASN 59 -2.956 -9.166 14.591 440 HB3 ASN 59 2HB ASN 59 -2.800 -10.836 15.129 441 HD21 ASN 59 1HD2 ASN 59 -0.862 -11.822 15.028 442 HD22 ASN 59 2HD2 ASN 59 0.583 -11.071 14.451 443 H ILE 60 H ILE 60 -1.570 -11.036 11.314 444 HA ILE 60 HA ILE 60 -1.593 -8.384 10.176 445 HB ILE 60 HB ILE 60 -0.098 -10.821 9.205 446 HG12 ILE 60 1HG1 ILE 60 0.691 -8.680 11.190 447 HG13 ILE 60 2HG1 ILE 60 0.535 -10.407 11.496 448 HG21 ILE 60 1HG2 ILE 60 1.227 -8.338 8.737 449 HG22 ILE 60 2HG2 ILE 60 0.655 -9.528 7.569 450 HG23 ILE 60 3HG2 ILE 60 -0.420 -8.240 8.113 451 HD11 ILE 60 1HD1 ILE 60 2.379 -10.119 9.392 452 HD12 ILE 60 2HD1 ILE 60 2.808 -8.934 10.625 453 HD13 ILE 60 3HD1 ILE 60 2.682 -10.641 11.049 454 H VAL 61 H VAL 61 -3.036 -7.775 8.717 455 HA VAL 61 HA VAL 61 -3.871 -9.709 6.662 456 HB VAL 61 HB VAL 61 -5.603 -8.017 8.411 457 HG11 VAL 61 1HG1 VAL 61 -7.434 -8.425 6.662 458 HG12 VAL 61 2HG1 VAL 61 -6.288 -7.116 6.366 459 HG13 VAL 61 3HG1 VAL 61 -6.107 -8.656 5.524 460 HG21 VAL 61 1HG2 VAL 61 -6.958 -9.985 8.510 461 HG22 VAL 61 2HG2 VAL 61 -6.053 -10.740 7.198 462 HG23 VAL 61 3HG2 VAL 61 -5.281 -10.471 8.760 463 H ILE 62 H ILE 62 -2.989 -8.953 4.846 464 HA ILE 62 HA ILE 62 -2.559 -6.142 4.403 465 HB ILE 62 HB ILE 62 -2.197 -8.471 2.514 466 HG12 ILE 62 1HG1 ILE 62 -0.787 -8.564 4.560 467 HG13 ILE 62 2HG1 ILE 62 0.157 -8.353 3.089 468 HG21 ILE 62 1HG2 ILE 62 -0.496 -6.344 1.843 469 HG22 ILE 62 2HG2 ILE 62 -1.881 -6.946 0.933 470 HG23 ILE 62 3HG2 ILE 62 -2.092 -5.636 2.096 471 HD11 ILE 62 1HD1 ILE 62 -0.616 -6.113 4.940 472 HD12 ILE 62 2HD1 ILE 62 0.924 -6.971 4.991 473 HD13 ILE 62 3HD1 ILE 62 0.485 -6.032 3.564 474 H ALA 63 H ALA 63 -3.603 -4.800 2.979 475 HA ALA 63 HA ALA 63 -5.765 -5.820 1.332 476 HB1 ALA 63 1HB ALA 63 -6.314 -3.775 3.480 477 HB2 ALA 63 2HB ALA 63 -7.464 -4.374 2.284 478 HB3 ALA 63 3HB ALA 63 -6.829 -5.462 3.518 479 H LYS 64 H LYS 64 -6.519 -4.301 -0.229 480 HA LYS 64 HA LYS 64 -4.838 -1.902 -0.518 481 HB2 LYS 64 1HB LYS 64 -4.592 -2.292 -2.870 482 HB3 LYS 64 2HB LYS 64 -4.108 -3.759 -2.030 483 HG2 LYS 64 1HG LYS 64 -6.179 -4.831 -2.580 484 HG3 LYS 64 2HG LYS 64 -6.822 -3.334 -3.261 485 HD2 LYS 64 1HD LYS 64 -5.036 -3.386 -4.969 486 HD3 LYS 64 2HD LYS 64 -4.484 -4.929 -4.312 487 HE2 LYS 64 1HE LYS 64 -6.803 -5.812 -4.749 488 HE3 LYS 64 2HE LYS 64 -7.122 -4.320 -5.632 489 HZ1 LYS 64 1HZ LYS 64 -5.138 -6.421 -6.285 490 HZ2 LYS 64 2HZ LYS 64 -5.128 -4.895 -7.014 491 HZ3 LYS 64 3HZ LYS 64 -6.460 -5.918 -7.213 492 H MET 65 H MET 65 -5.814 -0.093 -1.404 493 HA MET 65 HA MET 65 -8.615 -0.282 -2.210 494 HB2 MET 65 1HB MET 65 -8.498 0.189 0.267 495 HB3 MET 65 2HB MET 65 -7.712 1.711 -0.129 496 HG2 MET 65 1HG MET 65 -9.663 2.447 -1.344 497 HG3 MET 65 2HG MET 65 -10.448 0.893 -1.073 498 HE1 MET 65 1HE MET 65 -10.120 4.316 -0.218 499 HE2 MET 65 2HE MET 65 -11.830 3.902 -0.093 500 HE3 MET 65 3HE MET 65 -10.966 4.519 1.316 501 H ASP 66 H ASP 66 -9.203 1.189 -3.735 502 HA ASP 66 HA ASP 66 -7.067 2.778 -4.894 503 HB2 ASP 66 1HB ASP 66 -8.501 1.393 -6.348 504 HB3 ASP 66 2HB ASP 66 -9.904 2.334 -5.849 505 H SER 67 H SER 67 -6.723 4.674 -3.910 506 HA SER 67 HA SER 67 -8.712 6.173 -2.566 507 HB2 SER 67 1HB SER 67 -6.076 6.212 -2.391 508 HB3 SER 67 2HB SER 67 -6.231 7.487 -3.598 509 HG SER 67 HG SER 67 -7.848 8.383 -2.042 510 H THR 68 H THR 68 -7.669 6.039 -5.859 511 HA THR 68 HA THR 68 -8.755 8.591 -6.619 512 HB THR 68 HB THR 68 -8.052 8.135 -8.789 513 HG1 THR 68 1HG THR 68 -7.904 5.345 -8.299 514 HG21 THR 68 1HG2 THR 68 -6.238 7.923 -6.918 515 HG22 THR 68 2HG2 THR 68 -5.831 7.521 -8.586 516 HG23 THR 68 3HG2 THR 68 -6.183 6.237 -7.430 517 H ALA 69 H ALA 69 -9.877 5.284 -6.504 518 HA ALA 69 HA ALA 69 -12.332 5.969 -7.933 519 HB1 ALA 69 1HB ALA 69 -11.241 3.346 -6.936 520 HB2 ALA 69 2HB ALA 69 -12.826 3.526 -7.688 521 HB3 ALA 69 3HB ALA 69 -11.368 3.898 -8.607 522 H ASN 70 H ASN 70 -11.139 5.581 -4.737 523 HA ASN 70 HA ASN 70 -13.866 5.917 -3.697 524 HB2 ASN 70 1HB ASN 70 -11.753 4.134 -2.465 525 HB3 ASN 70 2HB ASN 70 -13.364 4.432 -1.818 526 HD21 ASN 70 1HD2 ASN 70 -11.473 2.640 -4.023 527 HD22 ASN 70 2HD2 ASN 70 -12.745 1.673 -4.682 528 H GLU 71 H GLU 71 -14.083 7.341 -2.023 529 HA GLU 71 HA GLU 71 -11.620 8.601 -1.015 530 HB2 GLU 71 1HB GLU 71 -13.168 9.883 -2.743 531 HB3 GLU 71 2HB GLU 71 -14.111 10.218 -1.298 532 HG2 GLU 71 1HG GLU 71 -12.676 12.051 -1.565 533 HG3 GLU 71 2HG GLU 71 -11.982 11.089 -0.261 534 H VAL 72 H VAL 72 -11.487 8.871 1.136 535 HA VAL 72 HA VAL 72 -13.920 8.618 2.755 536 HB VAL 72 HB VAL 72 -12.615 7.195 4.382 537 HG11 VAL 72 1HG1 VAL 72 -13.484 6.253 1.680 538 HG12 VAL 72 2HG1 VAL 72 -12.820 5.110 2.849 539 HG13 VAL 72 3HG1 VAL 72 -14.267 6.038 3.246 540 HG21 VAL 72 1HG2 VAL 72 -10.645 7.436 2.201 541 HG22 VAL 72 2HG2 VAL 72 -10.401 7.188 3.930 542 HG23 VAL 72 3HG2 VAL 72 -10.835 5.826 2.897 543 H GLU 73 H GLU 73 -13.891 9.723 4.700 544 HA GLU 73 HA GLU 73 -11.980 11.871 4.866 545 HB2 GLU 73 1HB GLU 73 -13.354 12.694 6.697 546 HB3 GLU 73 2HB GLU 73 -14.368 12.244 5.334 547 HG2 GLU 73 1HG GLU 73 -14.631 9.993 6.556 548 HG3 GLU 73 2HG GLU 73 -14.031 10.865 7.965 549 H ALA 74 H ALA 74 -12.437 8.785 6.342 550 HA ALA 74 HA ALA 74 -11.037 9.196 8.753 551 HB1 ALA 74 1HB ALA 74 -11.363 6.994 9.121 552 HB2 ALA 74 2HB ALA 74 -12.465 7.149 7.753 553 HB3 ALA 74 3HB ALA 74 -10.831 6.534 7.503 554 H VAL 75 H VAL 75 -9.950 9.214 5.567 555 HA VAL 75 HA VAL 75 -7.194 9.335 6.435 556 HB VAL 75 HB VAL 75 -8.190 7.134 4.646 557 HG11 VAL 75 1HG1 VAL 75 -5.440 8.350 4.733 558 HG12 VAL 75 2HG1 VAL 75 -5.746 6.713 4.149 559 HG13 VAL 75 3HG1 VAL 75 -6.476 8.094 3.330 560 HG21 VAL 75 1HG2 VAL 75 -6.751 7.355 7.228 561 HG22 VAL 75 2HG2 VAL 75 -7.974 6.197 6.708 562 HG23 VAL 75 3HG2 VAL 75 -6.306 6.021 6.163 563 H LYS 76 H LYS 76 -6.419 11.082 5.474 564 HA LYS 76 HA LYS 76 -7.526 11.910 2.889 565 HB2 LYS 76 1HB LYS 76 -5.939 13.390 4.987 566 HB3 LYS 76 2HB LYS 76 -6.309 14.071 3.409 567 HG2 LYS 76 1HG LYS 76 -8.497 13.042 5.168 568 HG3 LYS 76 2HG LYS 76 -7.817 14.652 5.418 569 HD2 LYS 76 1HD LYS 76 -8.333 15.206 3.072 570 HD3 LYS 76 2HD LYS 76 -9.064 13.611 2.873 571 HE2 LYS 76 1HE LYS 76 -10.923 14.873 3.330 572 HE3 LYS 76 2HE LYS 76 -10.480 14.351 4.955 573 HZ1 LYS 76 1HZ LYS 76 -9.921 16.981 3.703 574 HZ2 LYS 76 2HZ LYS 76 -9.253 16.487 5.175 575 HZ3 LYS 76 3HZ LYS 76 -10.928 16.667 5.025 576 H VAL 77 H VAL 77 -6.448 11.140 1.193 577 HA VAL 77 HA VAL 77 -3.518 10.928 1.351 578 HB VAL 77 HB VAL 77 -5.283 9.661 -0.739 579 HG11 VAL 77 1HG1 VAL 77 -2.411 9.379 0.077 580 HG12 VAL 77 2HG1 VAL 77 -3.248 8.092 -0.794 581 HG13 VAL 77 3HG1 VAL 77 -3.086 9.690 -1.522 582 HG21 VAL 77 1HG2 VAL 77 -5.375 7.667 0.516 583 HG22 VAL 77 2HG2 VAL 77 -4.196 8.255 1.688 584 HG23 VAL 77 3HG2 VAL 77 -5.816 8.952 1.641 585 H HIS 78 H HIS 78 -2.452 12.556 0.456 586 HA HIS 78 HA HIS 78 -3.641 13.917 -1.870 587 HB2 HIS 78 1HB HIS 78 -1.557 15.007 0.031 588 HB3 HIS 78 2HB HIS 78 -2.386 15.891 -1.246 589 HD1 HIS 78 1HD HIS 78 -2.459 16.751 1.755 590 HD2 HIS 78 2HD HIS 78 -5.395 14.528 -0.169 591 HE1 HIS 78 1HE HIS 78 -4.561 17.119 3.086 592 HE2 HIS 78 2HE HIS 78 -6.303 15.696 1.953 593 H SER 79 H SER 79 -1.951 11.454 -1.782 594 HA SER 79 HA SER 79 -0.316 12.033 -4.017 595 HB2 SER 79 1HB SER 79 0.964 12.037 -1.329 596 HB3 SER 79 2HB SER 79 1.824 11.218 -2.633 597 HG SER 79 HG SER 79 0.788 13.738 -3.192 598 H PHE 80 H PHE 80 1.141 10.089 -4.533 599 HA PHE 80 HA PHE 80 0.472 7.583 -3.322 600 HB2 PHE 80 1HB PHE 80 -0.439 7.854 -6.174 601 HB3 PHE 80 2HB PHE 80 -0.841 6.603 -5.002 602 HD1 PHE 80 1HD PHE 80 -2.514 7.003 -3.279 603 HD2 PHE 80 2HD PHE 80 -1.622 9.939 -6.228 604 HE1 PHE 80 1HE PHE 80 -4.589 8.198 -2.712 605 HE2 PHE 80 2HE PHE 80 -3.694 11.139 -5.665 606 HZ PHE 80 HZ PHE 80 -5.181 10.270 -3.905 607 HA PRO 81 HA PRO 81 0.480 5.385 -4.165 608 HB2 PRO 81 1HB PRO 81 2.238 3.579 -3.155 609 HB3 PRO 81 2HB PRO 81 1.724 3.577 -4.846 610 HG2 PRO 81 1HG PRO 81 4.229 4.676 -3.629 611 HG3 PRO 81 2HG PRO 81 4.027 3.741 -5.123 612 HD2 PRO 81 1HD PRO 81 4.327 6.432 -5.117 613 HD3 PRO 81 2HD PRO 81 3.350 5.583 -6.332 614 H THR 82 H THR 82 -0.259 5.145 -2.082 615 HA THR 82 HA THR 82 1.403 6.297 0.061 616 HB THR 82 HB THR 82 -1.559 6.709 -0.382 617 HG1 THR 82 1HG THR 82 0.674 8.482 -0.327 618 HG21 THR 82 1HG2 THR 82 -0.289 6.469 2.066 619 HG22 THR 82 2HG2 THR 82 -1.829 7.275 1.766 620 HG23 THR 82 3HG2 THR 82 -0.333 8.209 1.787 621 H LEU 83 H LEU 83 1.695 5.000 1.750 622 HA LEU 83 HA LEU 83 -0.127 2.709 2.078 623 HB2 LEU 83 1HB LEU 83 2.726 2.931 3.018 624 HB3 LEU 83 2HB LEU 83 1.702 1.498 3.064 625 HG LEU 83 HG LEU 83 2.737 2.836 0.564 626 HD11 LEU 83 1HD1 LEU 83 3.995 0.628 0.397 627 HD12 LEU 83 2HD1 LEU 83 3.633 0.424 2.110 628 HD13 LEU 83 3HD1 LEU 83 4.586 1.805 1.569 629 HD21 LEU 83 1HD2 LEU 83 1.936 0.584 -0.398 630 HD22 LEU 83 2HD2 LEU 83 0.736 1.834 -0.067 631 HD23 LEU 83 3HD2 LEU 83 0.942 0.488 1.055 632 H LYS 84 H LYS 84 -0.985 2.257 4.064 633 HA LYS 84 HA LYS 84 -0.201 3.910 6.346 634 HB2 LYS 84 1HB LYS 84 -3.093 3.594 5.539 635 HB3 LYS 84 2HB LYS 84 -2.451 4.585 6.842 636 HG2 LYS 84 1HG LYS 84 -1.138 5.710 4.833 637 HG3 LYS 84 2HG LYS 84 -2.519 5.093 3.925 638 HD2 LYS 84 1HD LYS 84 -4.046 6.367 5.166 639 HD3 LYS 84 2HD LYS 84 -2.879 6.668 6.456 640 HE2 LYS 84 1HE LYS 84 -2.319 7.650 3.691 641 HE3 LYS 84 2HE LYS 84 -3.442 8.539 4.719 642 HZ1 LYS 84 1HZ LYS 84 -1.581 8.459 6.435 643 HZ2 LYS 84 2HZ LYS 84 -1.387 9.513 5.126 644 HZ3 LYS 84 3HZ LYS 84 -0.564 8.035 5.150 645 H PHE 85 H PHE 85 0.070 2.670 8.073 646 HA PHE 85 HA PHE 85 -1.032 -0.030 8.073 647 HB2 PHE 85 1HB PHE 85 1.304 0.072 8.577 648 HB3 PHE 85 2HB PHE 85 1.052 1.332 9.781 649 HD1 PHE 85 2HD PHE 85 0.786 -2.242 9.064 650 HD2 PHE 85 1HD PHE 85 0.226 0.804 11.984 651 HE1 PHE 85 2HE PHE 85 0.602 -3.960 10.816 652 HE2 PHE 85 1HE PHE 85 0.042 -0.909 13.741 653 HZ PHE 85 HZ PHE 85 0.228 -3.295 13.157 654 H PHE 86 H PHE 86 -2.717 -0.628 9.268 655 HA PHE 86 HA PHE 86 -3.748 1.276 11.256 656 HB2 PHE 86 1HB PHE 86 -5.212 -0.969 9.853 657 HB3 PHE 86 2HB PHE 86 -5.926 0.226 10.930 658 HD1 PHE 86 1HD PHE 86 -3.764 2.250 9.455 659 HD2 PHE 86 2HD PHE 86 -7.103 -0.143 8.340 660 HE1 PHE 86 1HE PHE 86 -4.180 3.731 7.534 661 HE2 PHE 86 2HE PHE 86 -7.523 1.333 6.417 662 HZ PHE 86 HZ PHE 86 -6.060 3.272 6.011 663 HA PRO 87 HA PRO 87 -2.350 -1.756 14.237 664 HB2 PRO 87 1HB PRO 87 -3.009 -0.278 16.417 665 HB3 PRO 87 2HB PRO 87 -1.554 0.020 15.459 666 HG2 PRO 87 1HG PRO 87 -4.196 1.427 15.380 667 HG3 PRO 87 2HG PRO 87 -2.561 2.112 15.329 668 HD2 PRO 87 1HD PRO 87 -4.074 1.786 13.107 669 HD3 PRO 87 2HD PRO 87 -2.304 1.656 13.084 670 H ALA 88 H ALA 88 -3.336 -3.063 15.866 671 HA ALA 88 HA ALA 88 -6.016 -3.770 15.321 672 HB1 ALA 88 1HB ALA 88 -4.811 -5.564 16.079 673 HB2 ALA 88 2HB ALA 88 -3.974 -4.622 17.313 674 HB3 ALA 88 3HB ALA 88 -5.654 -5.099 17.557 675 H SER 89 H SER 89 -4.607 -1.482 17.468 676 HA SER 89 HA SER 89 -6.152 -1.224 19.628 677 HB2 SER 89 1HB SER 89 -5.234 0.908 17.712 678 HB3 SER 89 2HB SER 89 -6.130 1.324 19.173 679 HG SER 89 HG SER 89 -4.251 1.224 20.100 680 H ALA 90 H ALA 90 -8.194 -0.626 20.213 681 HA ALA 90 HA ALA 90 -10.259 -0.957 18.262 682 HB1 ALA 90 1HB ALA 90 -10.658 0.030 21.071 683 HB2 ALA 90 2HB ALA 90 -11.778 -0.879 20.055 684 HB3 ALA 90 3HB ALA 90 -10.337 -1.664 20.703 685 H ASP 91 H ASP 91 -9.159 0.984 17.064 686 HA ASP 91 HA ASP 91 -10.988 3.173 17.250 687 HB2 ASP 91 1HB ASP 91 -9.439 3.830 19.034 688 HB3 ASP 91 2HB ASP 91 -8.083 3.695 17.918 689 H ARG 92 H ARG 92 -10.414 4.905 15.604 690 HA ARG 92 HA ARG 92 -9.637 3.563 13.156 691 HB2 ARG 92 1HB ARG 92 -10.408 5.622 12.048 692 HB3 ARG 92 2HB ARG 92 -11.624 4.968 13.137 693 HG2 ARG 92 1HG ARG 92 -10.504 6.651 14.833 694 HG3 ARG 92 2HG ARG 92 -10.040 7.467 13.339 695 HD2 ARG 92 1HD ARG 92 -12.847 6.690 14.123 696 HD3 ARG 92 2HD ARG 92 -12.165 8.313 14.225 697 HE ARG 92 HE ARG 92 -11.910 7.333 11.594 698 HH11 ARG 92 2HH1 ARG 92 -14.305 8.495 13.837 699 HH12 ARG 92 1HH1 ARG 92 -15.365 9.088 12.601 700 HH21 ARG 92 2HH2 ARG 92 -13.297 8.109 9.957 701 HH22 ARG 92 1HH2 ARG 92 -14.791 8.866 10.394 702 H THR 93 H THR 93 -7.504 3.879 14.945 703 HA THR 93 HA THR 93 -5.936 6.177 14.328 704 HB THR 93 HB THR 93 -5.060 3.515 15.466 705 HG1 THR 93 1HG THR 93 -5.419 5.894 16.944 706 HG21 THR 93 1HG2 THR 93 -3.444 5.650 16.364 707 HG22 THR 93 2HG2 THR 93 -3.559 5.797 14.610 708 HG23 THR 93 3HG2 THR 93 -2.979 4.298 15.334 709 H VAL 94 H VAL 94 -4.227 6.416 12.921 710 HA VAL 94 HA VAL 94 -3.736 4.215 11.030 711 HB VAL 94 HB VAL 94 -4.264 7.107 10.364 712 HG11 VAL 94 1HG1 VAL 94 -2.450 5.275 9.079 713 HG12 VAL 94 2HG1 VAL 94 -3.765 5.724 7.991 714 HG13 VAL 94 3HG1 VAL 94 -2.763 6.974 8.730 715 HG21 VAL 94 1HG2 VAL 94 -6.141 5.401 10.563 716 HG22 VAL 94 2HG2 VAL 94 -6.046 6.304 9.051 717 HG23 VAL 94 3HG2 VAL 94 -5.459 4.643 9.124 718 H ILE 95 H ILE 95 -1.647 3.854 10.529 719 HA ILE 95 HA ILE 95 0.341 5.696 11.679 720 HB ILE 95 HB ILE 95 0.522 2.738 11.115 721 HG12 ILE 95 1HG1 ILE 95 0.615 4.371 13.659 722 HG13 ILE 95 2HG1 ILE 95 -0.654 3.254 13.169 723 HG21 ILE 95 1HG2 ILE 95 2.679 3.249 10.652 724 HG22 ILE 95 2HG2 ILE 95 2.623 4.771 11.539 725 HG23 ILE 95 3HG2 ILE 95 2.805 3.249 12.411 726 HD11 ILE 95 1HD1 ILE 95 0.404 1.753 14.415 727 HD12 ILE 95 2HD1 ILE 95 1.608 1.693 13.127 728 HD13 ILE 95 3HD1 ILE 95 1.858 2.745 14.521 729 H ASP 96 H ASP 96 1.894 6.573 10.425 730 HA ASP 96 HA ASP 96 1.604 6.342 7.563 731 HB2 ASP 96 1HB ASP 96 3.460 7.992 9.288 732 HB3 ASP 96 2HB ASP 96 3.430 8.067 7.529 733 H TYR 97 H TYR 97 2.907 5.297 6.166 734 HA TYR 97 HA TYR 97 5.139 3.763 7.318 735 HB2 TYR 97 1HB TYR 97 3.288 2.425 6.356 736 HB3 TYR 97 2HB TYR 97 3.562 3.198 4.799 737 HD1 TYR 97 1HD TYR 97 5.909 2.920 3.757 738 HD2 TYR 97 2HD TYR 97 4.429 0.468 6.904 739 HE1 TYR 97 1HE TYR 97 7.571 1.198 3.190 740 HE2 TYR 97 2HE TYR 97 6.087 -1.260 6.346 741 HH TYR 97 HH TYR 97 8.729 -0.701 4.364 742 H ASN 98 H ASN 98 7.031 4.706 6.940 743 HA ASN 98 HA ASN 98 7.564 5.716 4.228 744 HB2 ASN 98 1HB ASN 98 9.153 7.361 5.528 745 HB3 ASN 98 2HB ASN 98 7.444 7.740 5.338 746 HD21 ASN 98 1HD2 ASN 98 6.127 7.776 7.102 747 HD22 ASN 98 2HD2 ASN 98 6.701 7.614 8.723 748 H GLY 99 H GLY 99 8.377 3.423 4.134 749 HA2 GLY 99 1HA GLY 99 11.149 3.320 5.156 750 HA3 GLY 99 2HA GLY 99 10.118 1.899 5.071 751 H GLU 100 H GLU 100 11.567 0.786 3.745 752 HA GLU 100 HA GLU 100 12.577 1.847 1.314 753 HB2 GLU 100 1HB GLU 100 13.182 -0.510 0.809 754 HB3 GLU 100 2HB GLU 100 13.731 0.026 2.390 755 HG2 GLU 100 1HG GLU 100 11.515 -1.038 3.227 756 HG3 GLU 100 2HG GLU 100 11.570 -1.906 1.694 757 H ARG 101 H ARG 101 9.555 0.521 2.212 758 HA ARG 101 HA ARG 101 7.656 0.016 1.065 759 HB2 ARG 101 1HB ARG 101 8.189 2.368 0.224 760 HB3 ARG 101 2HB ARG 101 8.818 1.595 -1.224 761 HG2 ARG 101 1HG ARG 101 6.596 0.536 -1.555 762 HG3 ARG 101 2HG ARG 101 5.996 1.477 -0.187 763 HD2 ARG 101 1HD ARG 101 7.349 2.818 -2.499 764 HD3 ARG 101 2HD ARG 101 5.644 2.378 -2.586 765 HE ARG 101 HE ARG 101 5.848 3.741 -0.244 766 HH11 ARG 101 2HH1 ARG 101 6.719 4.432 -3.542 767 HH12 ARG 101 1HH1 ARG 101 6.481 6.141 -3.384 768 HH21 ARG 101 2HH2 ARG 101 5.530 5.989 -0.023 769 HH22 ARG 101 1HH2 ARG 101 5.805 7.025 -1.382 770 H THR 102 H THR 102 9.523 -1.978 0.979 771 HA THR 102 HA THR 102 9.150 -3.065 -1.733 772 HB THR 102 HB THR 102 11.272 -4.215 -1.604 773 HG1 THR 102 1HG THR 102 12.573 -4.088 0.190 774 HG21 THR 102 1HG2 THR 102 12.431 -2.429 -2.310 775 HG22 THR 102 2HG2 THR 102 12.295 -1.617 -0.750 776 HG23 THR 102 3HG2 THR 102 10.985 -1.498 -1.923 777 H LEU 103 H LEU 103 8.793 -5.312 -1.884 778 HA LEU 103 HA LEU 103 7.039 -6.482 -0.199 779 HB2 LEU 103 1HB LEU 103 7.670 -7.408 -2.368 780 HB3 LEU 103 2HB LEU 103 9.227 -7.906 -1.709 781 HG LEU 103 HG LEU 103 8.055 -9.469 -0.200 782 HD11 LEU 103 1HD1 LEU 103 5.554 -9.652 -1.508 783 HD12 LEU 103 2HD1 LEU 103 5.781 -7.972 -1.021 784 HD13 LEU 103 3HD1 LEU 103 5.884 -9.260 0.180 785 HD21 LEU 103 1HD2 LEU 103 7.875 -11.128 -1.775 786 HD22 LEU 103 2HD2 LEU 103 8.804 -9.926 -2.670 787 HD23 LEU 103 3HD2 LEU 103 7.068 -10.084 -2.945 788 H ASP 104 H ASP 104 10.567 -6.920 -0.021 789 HA ASP 104 HA ASP 104 10.460 -8.480 2.362 790 HB2 ASP 104 1HB ASP 104 12.613 -7.210 0.733 791 HB3 ASP 104 2HB ASP 104 12.996 -7.692 2.384 792 H GLY 105 H GLY 105 10.474 -5.092 1.686 793 HA2 GLY 105 1HA GLY 105 11.428 -4.255 4.262 794 HA3 GLY 105 2HA GLY 105 10.678 -3.233 3.044 795 H PHE 106 H PHE 106 8.252 -4.721 2.797 796 HA PHE 106 HA PHE 106 6.738 -3.515 4.839 797 HB2 PHE 106 1HB PHE 106 5.996 -5.717 2.903 798 HB3 PHE 106 2HB PHE 106 4.847 -4.855 3.921 799 HD1 PHE 106 2HD PHE 106 5.756 -2.096 3.719 800 HD2 PHE 106 1HD PHE 106 5.511 -5.115 0.729 801 HE1 PHE 106 2HE PHE 106 5.528 -0.360 1.990 802 HE2 PHE 106 1HE PHE 106 5.283 -3.384 -1.005 803 HZ PHE 106 HZ PHE 106 5.291 -1.004 -0.375 804 H LYS 107 H LYS 107 7.847 -6.838 4.369 805 HA LYS 107 HA LYS 107 6.468 -8.090 6.425 806 HB2 LYS 107 1HB LYS 107 9.291 -8.657 5.497 807 HB3 LYS 107 2HB LYS 107 8.270 -9.760 6.411 808 HG2 LYS 107 1HG LYS 107 6.639 -9.361 4.365 809 HG3 LYS 107 2HG LYS 107 8.162 -8.999 3.548 810 HD2 LYS 107 1HD LYS 107 8.975 -11.218 4.612 811 HD3 LYS 107 2HD LYS 107 7.255 -11.556 4.819 812 HE2 LYS 107 1HE LYS 107 7.119 -10.897 2.297 813 HE3 LYS 107 2HE LYS 107 8.845 -11.252 2.307 814 HZ1 LYS 107 1HZ LYS 107 8.441 -13.469 2.929 815 HZ2 LYS 107 2HZ LYS 107 7.328 -13.144 1.697 816 HZ3 LYS 107 3HZ LYS 107 6.821 -13.167 3.311 817 H LYS 108 H LYS 108 9.536 -6.327 6.533 818 HA LYS 108 HA LYS 108 10.190 -6.863 9.205 819 HB2 LYS 108 1HB LYS 108 10.824 -4.289 7.767 820 HB3 LYS 108 2HB LYS 108 11.748 -5.067 9.045 821 HG2 LYS 108 1HG LYS 108 12.020 -7.006 7.377 822 HG3 LYS 108 2HG LYS 108 11.514 -5.830 6.162 823 HD2 LYS 108 1HD LYS 108 13.907 -5.837 6.239 824 HD3 LYS 108 2HD LYS 108 13.342 -4.329 6.963 825 HE2 LYS 108 1HE LYS 108 13.802 -6.666 8.745 826 HE3 LYS 108 2HE LYS 108 15.208 -5.815 8.109 827 HZ1 LYS 108 1HZ LYS 108 13.398 -3.900 9.019 828 HZ2 LYS 108 2HZ LYS 108 14.916 -4.283 9.658 829 HZ3 LYS 108 3HZ LYS 108 13.533 -5.070 10.234 830 H PHE 109 H PHE 109 8.542 -4.028 7.806 831 HA PHE 109 HA PHE 109 8.038 -2.664 10.169 832 HB2 PHE 109 1HB PHE 109 7.676 -1.754 7.881 833 HB3 PHE 109 2HB PHE 109 6.239 -2.762 7.740 834 HD1 PHE 109 2HD PHE 109 7.717 0.152 9.403 835 HD2 PHE 109 1HD PHE 109 4.205 -2.192 8.866 836 HE1 PHE 109 2HE PHE 109 6.375 1.931 10.445 837 HE2 PHE 109 1HE PHE 109 2.857 -0.416 9.907 838 HZ PHE 109 HZ PHE 109 3.941 1.648 10.699 839 H LEU 110 H LEU 110 6.069 -5.127 8.545 840 HA LEU 110 HA LEU 110 3.929 -5.054 10.395 841 HB2 LEU 110 1HB LEU 110 4.829 -7.264 8.553 842 HB3 LEU 110 2HB LEU 110 3.289 -7.221 9.409 843 HG LEU 110 HG LEU 110 4.058 -5.065 7.466 844 HD11 LEU 110 1HD1 LEU 110 2.774 -6.307 5.762 845 HD12 LEU 110 2HD1 LEU 110 2.715 -7.693 6.851 846 HD13 LEU 110 3HD1 LEU 110 4.265 -7.125 6.231 847 HD21 LEU 110 1HD2 LEU 110 1.924 -4.361 7.666 848 HD22 LEU 110 2HD2 LEU 110 2.023 -5.189 9.220 849 HD23 LEU 110 3HD2 LEU 110 1.284 -5.996 7.836 850 H GLU 111 H GLU 111 6.376 -7.613 9.935 851 HA GLU 111 HA GLU 111 5.933 -9.210 12.045 852 HB2 GLU 111 1HB GLU 111 8.544 -8.235 10.918 853 HB3 GLU 111 2HB GLU 111 8.504 -9.396 12.238 854 HG2 GLU 111 1HG GLU 111 6.911 -10.720 10.669 855 HG3 GLU 111 2HG GLU 111 7.629 -9.720 9.407 856 H SER 112 H SER 112 7.475 -6.044 12.198 857 HA SER 112 HA SER 112 8.205 -6.171 14.932 858 HB2 SER 112 1HB SER 112 7.632 -3.704 13.274 859 HB3 SER 112 2HB SER 112 8.574 -3.773 14.763 860 HG SER 112 HG SER 112 9.452 -4.076 12.310 861 H GLY 113 H GLY 113 5.368 -4.864 13.253 862 HA2 GLY 113 1HA GLY 113 3.211 -5.219 14.403 863 HA3 GLY 113 2HA GLY 113 4.020 -4.715 15.880 864 H GLY 114 H GLY 114 4.457 -3.176 12.748 865 HA2 GLY 114 1HA GLY 114 4.022 -1.038 12.037 866 HA3 GLY 114 2HA GLY 114 2.545 -1.148 12.983 867 H GLN 115 H GLN 115 5.870 -1.291 14.174 868 HA GLN 115 HA GLN 115 5.307 0.660 16.187 869 HB2 GLN 115 1HB GLN 115 7.951 0.437 16.385 870 HB3 GLN 115 2HB GLN 115 6.863 -0.802 16.997 871 HG2 GLN 115 1HG GLN 115 7.299 -2.239 15.222 872 HG3 GLN 115 2HG GLN 115 7.950 -0.947 14.214 873 HE21 GLN 115 1HE2 GLN 115 9.870 -1.992 13.811 874 HE22 GLN 115 2HE2 GLN 115 11.085 -2.223 15.018 875 H SER 116 H SER 116 7.152 2.409 16.501 876 HA SER 116 HA SER 116 7.646 3.763 13.942 877 HB2 SER 116 1HB SER 116 6.234 4.873 16.356 878 HB3 SER 116 2HB SER 116 7.088 5.938 15.239 879 HG SER 116 HG SER 116 5.576 5.641 13.795 880 H GLY 117 H GLY 117 9.792 2.815 14.398 881 HA2 GLY 117 1HA GLY 117 11.982 3.043 15.045 882 HA3 GLY 117 2HA GLY 117 11.597 4.734 15.328 883 HA PRO 118 HA PRO 118 12.299 2.192 19.334 884 HB2 PRO 118 1HB PRO 118 14.926 2.720 19.771 885 HB3 PRO 118 2HB PRO 118 14.367 1.300 18.879 886 HG2 PRO 118 1HG PRO 118 15.406 3.906 17.834 887 HG3 PRO 118 2HG PRO 118 15.762 2.258 17.284 888 HD2 PRO 118 1HD PRO 118 14.003 3.872 16.006 889 HD3 PRO 118 2HD PRO 118 13.810 2.108 16.066 890 H SER 119 H SER 119 13.397 5.308 18.153 891 HA SER 119 HA SER 119 12.414 6.568 20.582 892 HB2 SER 119 1HB SER 119 14.943 6.027 20.790 893 HB3 SER 119 2HB SER 119 15.163 7.336 19.629 894 HG SER 119 HG SER 119 15.143 7.774 22.050 895 H SER 120 H SER 120 12.732 9.067 20.328 896 HA SER 120 HA SER 120 11.545 9.747 17.771 897 HB2 SER 120 1HB SER 120 10.906 11.802 18.771 898 HB3 SER 120 2HB SER 120 10.721 10.592 20.040 899 HG SER 120 HG SER 120 12.779 11.246 20.831 900 H GLY 121 H GLY 121 12.453 10.957 16.187 901 HA2 GLY 121 1HA GLY 121 15.268 11.129 16.029 902 HA3 GLY 121 2HA GLY 121 14.130 11.884 14.923 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -9.087 -28.429 5.650 2 HA2 GLY 1 1HA GLY 1 -11.366 -29.477 5.375 3 HA3 GLY 1 2HA GLY 1 -11.671 -28.894 7.005 4 H SER 2 H SER 2 -11.608 -26.550 7.346 5 HA SER 2 HA SER 2 -13.212 -25.191 5.488 6 HB2 SER 2 1HB SER 2 -11.618 -24.294 7.878 7 HB3 SER 2 2HB SER 2 -12.492 -23.132 6.880 8 HG SER 2 HG SER 2 -14.360 -23.920 7.561 9 H SER 3 H SER 3 -12.573 -22.951 4.629 10 HA SER 3 HA SER 3 -9.864 -22.481 3.905 11 HB2 SER 3 1HB SER 3 -10.759 -24.458 2.399 12 HB3 SER 3 2HB SER 3 -11.519 -23.144 1.502 13 HG SER 3 HG SER 3 -9.170 -22.260 1.773 14 H GLY 4 H GLY 4 -9.618 -20.577 2.539 15 HA2 GLY 4 1HA GLY 4 -11.801 -19.033 1.641 16 HA3 GLY 4 2HA GLY 4 -11.345 -18.497 3.251 17 H SER 5 H SER 5 -9.576 -19.485 0.314 18 HA SER 5 HA SER 5 -7.308 -18.018 0.623 19 HB2 SER 5 1HB SER 5 -7.074 -18.022 -1.813 20 HB3 SER 5 2HB SER 5 -7.710 -19.570 -1.258 21 HG SER 5 HG SER 5 -9.181 -19.170 -2.717 22 H SER 6 H SER 6 -10.361 -16.865 -0.768 23 HA SER 6 HA SER 6 -11.020 -14.760 -1.416 24 HB2 SER 6 1HB SER 6 -11.168 -13.248 0.421 25 HB3 SER 6 2HB SER 6 -11.250 -14.868 1.115 26 HG SER 6 HG SER 6 -9.785 -13.775 2.330 27 H GLY 7 H GLY 7 -8.638 -15.353 -2.664 28 HA2 GLY 7 1HA GLY 7 -6.969 -14.313 -3.850 29 HA3 GLY 7 2HA GLY 7 -7.695 -12.788 -3.366 30 HA PRO 8 HA PRO 8 -3.510 -13.570 -1.268 31 HB2 PRO 8 1HB PRO 8 -2.069 -11.712 -2.626 32 HB3 PRO 8 2HB PRO 8 -2.214 -13.392 -3.157 33 HG2 PRO 8 1HG PRO 8 -3.697 -10.971 -4.105 34 HG3 PRO 8 2HG PRO 8 -3.000 -12.298 -5.052 35 HD2 PRO 8 1HD PRO 8 -5.640 -12.154 -4.471 36 HD3 PRO 8 2HD PRO 8 -4.782 -13.699 -4.635 37 H VAL 9 H VAL 9 -4.657 -10.437 -2.544 38 HA VAL 9 HA VAL 9 -4.313 -9.316 0.161 39 HB VAL 9 HB VAL 9 -2.807 -8.077 -1.074 40 HG11 VAL 9 1HG1 VAL 9 -3.435 -9.140 -3.239 41 HG12 VAL 9 2HG1 VAL 9 -4.724 -7.945 -3.396 42 HG13 VAL 9 3HG1 VAL 9 -3.038 -7.427 -3.368 43 HG21 VAL 9 1HG2 VAL 9 -5.012 -6.790 -0.180 44 HG22 VAL 9 2HG2 VAL 9 -3.591 -5.977 -0.837 45 HG23 VAL 9 3HG2 VAL 9 -4.992 -6.273 -1.866 46 H LYS 10 H LYS 10 -6.050 -8.477 1.133 47 HA LYS 10 HA LYS 10 -8.633 -8.796 0.021 48 HB2 LYS 10 1HB LYS 10 -7.660 -8.494 2.546 49 HB3 LYS 10 2HB LYS 10 -8.358 -6.904 2.266 50 HG2 LYS 10 1HG LYS 10 -9.930 -9.390 1.714 51 HG3 LYS 10 2HG LYS 10 -9.815 -8.723 3.344 52 HD2 LYS 10 1HD LYS 10 -10.538 -6.887 1.116 53 HD3 LYS 10 2HD LYS 10 -11.759 -8.024 1.692 54 HE2 LYS 10 1HE LYS 10 -11.797 -5.773 2.797 55 HE3 LYS 10 2HE LYS 10 -11.656 -7.142 3.898 56 HZ1 LYS 10 1HZ LYS 10 -9.388 -5.467 2.965 57 HZ2 LYS 10 2HZ LYS 10 -9.299 -6.736 4.080 58 HZ3 LYS 10 3HZ LYS 10 -10.145 -5.324 4.471 59 H VAL 11 H VAL 11 -10.080 -7.324 -0.800 60 HA VAL 11 HA VAL 11 -8.916 -4.776 -1.678 61 HB VAL 11 HB VAL 11 -11.356 -6.233 -2.706 62 HG11 VAL 11 1HG1 VAL 11 -10.354 -3.523 -3.109 63 HG12 VAL 11 2HG1 VAL 11 -10.607 -4.409 -4.614 64 HG13 VAL 11 3HG1 VAL 11 -11.936 -4.212 -3.470 65 HG21 VAL 11 1HG2 VAL 11 -9.425 -7.454 -3.346 66 HG22 VAL 11 2HG2 VAL 11 -9.909 -6.506 -4.752 67 HG23 VAL 11 3HG2 VAL 11 -8.548 -5.982 -3.761 68 H LEU 12 H LEU 12 -9.499 -2.980 -0.668 69 HA LEU 12 HA LEU 12 -11.917 -2.988 0.982 70 HB2 LEU 12 1HB LEU 12 -9.666 -0.987 0.868 71 HB3 LEU 12 2HB LEU 12 -10.996 -0.990 2.024 72 HG LEU 12 HG LEU 12 -8.970 -3.212 1.828 73 HD11 LEU 12 1HD1 LEU 12 -7.509 -1.718 2.631 74 HD12 LEU 12 2HD1 LEU 12 -8.407 -1.891 4.139 75 HD13 LEU 12 3HD1 LEU 12 -8.771 -0.556 3.045 76 HD21 LEU 12 1HD2 LEU 12 -11.174 -2.490 3.726 77 HD22 LEU 12 2HD2 LEU 12 -9.805 -3.470 4.252 78 HD23 LEU 12 3HD2 LEU 12 -10.841 -4.033 2.939 79 H VAL 13 H VAL 13 -13.529 -1.444 0.787 80 HA VAL 13 HA VAL 13 -13.409 0.264 -1.611 81 HB VAL 13 HB VAL 13 -15.854 -0.118 -1.902 82 HG11 VAL 13 1HG1 VAL 13 -14.268 -1.297 -3.301 83 HG12 VAL 13 2HG1 VAL 13 -14.089 -2.558 -2.079 84 HG13 VAL 13 3HG1 VAL 13 -15.628 -2.351 -2.916 85 HG21 VAL 13 1HG2 VAL 13 -16.903 -0.983 -0.121 86 HG22 VAL 13 2HG2 VAL 13 -16.343 -2.540 -0.730 87 HG23 VAL 13 3HG2 VAL 13 -15.425 -1.700 0.520 88 H GLY 14 H GLY 14 -15.024 2.060 -1.553 89 HA2 GLY 14 1HA GLY 14 -14.762 3.500 0.892 90 HA3 GLY 14 2HA GLY 14 -15.664 4.018 -0.525 91 H LYS 15 H LYS 15 -16.706 0.984 0.336 92 HA LYS 15 HA LYS 15 -19.020 2.124 1.746 93 HB2 LYS 15 1HB LYS 15 -19.389 0.918 -0.430 94 HB3 LYS 15 2HB LYS 15 -18.837 -0.553 0.359 95 HG2 LYS 15 1HG LYS 15 -20.708 0.038 2.093 96 HG3 LYS 15 2HG LYS 15 -21.360 0.976 0.748 97 HD2 LYS 15 1HD LYS 15 -22.390 -1.085 0.476 98 HD3 LYS 15 2HD LYS 15 -21.010 -1.199 -0.618 99 HE2 LYS 15 1HE LYS 15 -19.761 -2.444 1.048 100 HE3 LYS 15 2HE LYS 15 -21.080 -2.264 2.204 101 HZ1 LYS 15 1HZ LYS 15 -20.838 -4.057 -0.071 102 HZ2 LYS 15 2HZ LYS 15 -22.370 -3.384 0.175 103 HZ3 LYS 15 3HZ LYS 15 -21.634 -4.281 1.406 104 H ASN 16 H ASN 16 -16.631 -0.465 1.853 105 HA ASN 16 HA ASN 16 -17.354 -0.910 4.672 106 HB2 ASN 16 1HB ASN 16 -17.080 -3.242 4.470 107 HB3 ASN 16 2HB ASN 16 -18.012 -2.783 3.048 108 HD21 ASN 16 1HD2 ASN 16 -14.750 -3.478 4.184 109 HD22 ASN 16 2HD2 ASN 16 -14.156 -4.068 2.674 110 H PHE 17 H PHE 17 -15.209 0.607 3.024 111 HA PHE 17 HA PHE 17 -12.698 -0.444 3.323 112 HB2 PHE 17 1HB PHE 17 -12.610 1.586 2.264 113 HB3 PHE 17 2HB PHE 17 -13.794 2.319 3.341 114 HD1 PHE 17 2HD PHE 17 -10.317 0.972 3.425 115 HD2 PHE 17 1HD PHE 17 -13.066 3.900 4.836 116 HE1 PHE 17 2HE PHE 17 -8.500 2.077 4.661 117 HE2 PHE 17 1HE PHE 17 -11.252 5.011 6.074 118 HZ PHE 17 HZ PHE 17 -8.966 4.099 5.988 119 H GLU 18 H GLU 18 -14.147 1.796 5.694 120 HA GLU 18 HA GLU 18 -12.256 1.315 7.705 121 HB2 GLU 18 1HB GLU 18 -15.122 2.149 8.156 122 HB3 GLU 18 2HB GLU 18 -13.738 2.481 9.188 123 HG2 GLU 18 1HG GLU 18 -13.896 4.486 8.155 124 HG3 GLU 18 2HG GLU 18 -12.852 3.666 6.995 125 H ASP 19 H ASP 19 -15.108 -0.424 6.761 126 HA ASP 19 HA ASP 19 -15.752 -1.833 9.044 127 HB2 ASP 19 1HB ASP 19 -16.726 -1.879 6.581 128 HB3 ASP 19 2HB ASP 19 -15.699 -3.304 6.445 129 H VAL 20 H VAL 20 -13.332 -2.688 6.581 130 HA VAL 20 HA VAL 20 -12.336 -4.829 8.306 131 HB VAL 20 HB VAL 20 -11.237 -4.160 5.591 132 HG11 VAL 20 1HG1 VAL 20 -9.892 -5.815 6.316 133 HG12 VAL 20 2HG1 VAL 20 -11.058 -6.381 7.514 134 HG13 VAL 20 3HG1 VAL 20 -11.231 -6.852 5.822 135 HG21 VAL 20 1HG2 VAL 20 -12.879 -5.430 4.498 136 HG22 VAL 20 2HG2 VAL 20 -13.510 -6.079 6.012 137 HG23 VAL 20 3HG2 VAL 20 -13.781 -4.387 5.597 138 H ALA 21 H ALA 21 -11.265 -1.833 6.761 139 HA ALA 21 HA ALA 21 -8.586 -1.835 7.378 140 HB1 ALA 21 1HB ALA 21 -9.117 -0.018 6.122 141 HB2 ALA 21 2HB ALA 21 -10.615 0.293 7.001 142 HB3 ALA 21 3HB ALA 21 -9.066 0.757 7.706 143 H PHE 22 H PHE 22 -11.063 -0.205 9.368 144 HA PHE 22 HA PHE 22 -9.266 -0.189 11.638 145 HB2 PHE 22 1HB PHE 22 -12.072 0.860 11.244 146 HB3 PHE 22 2HB PHE 22 -11.197 0.982 12.767 147 HD1 PHE 22 2HD PHE 22 -8.506 1.678 11.923 148 HD2 PHE 22 1HD PHE 22 -12.259 3.003 10.417 149 HE1 PHE 22 2HE PHE 22 -7.455 3.764 11.152 150 HE2 PHE 22 1HE PHE 22 -11.215 5.092 9.643 151 HZ PHE 22 HZ PHE 22 -8.810 5.475 10.011 152 H ASP 23 H ASP 23 -9.031 -2.313 12.275 153 HA ASP 23 HA ASP 23 -11.429 -3.528 13.470 154 HB2 ASP 23 1HB ASP 23 -10.812 -4.690 11.355 155 HB3 ASP 23 2HB ASP 23 -9.234 -5.051 12.051 156 H GLU 24 H GLU 24 -11.196 -4.290 15.501 157 HA GLU 24 HA GLU 24 -8.768 -3.654 16.905 158 HB2 GLU 24 1HB GLU 24 -9.957 -4.199 18.897 159 HB3 GLU 24 2HB GLU 24 -11.082 -3.351 17.846 160 HG2 GLU 24 1HG GLU 24 -10.977 -6.338 17.874 161 HG3 GLU 24 2HG GLU 24 -11.877 -5.452 19.103 162 H LYS 25 H LYS 25 -7.295 -5.037 17.802 163 HA LYS 25 HA LYS 25 -6.056 -6.923 18.089 164 HB2 LYS 25 1HB LYS 25 -8.679 -8.373 17.693 165 HB3 LYS 25 2HB LYS 25 -7.214 -9.054 18.387 166 HG2 LYS 25 1HG LYS 25 -8.705 -6.728 19.578 167 HG3 LYS 25 2HG LYS 25 -8.959 -8.411 20.045 168 HD2 LYS 25 1HD LYS 25 -6.893 -8.583 21.052 169 HD3 LYS 25 2HD LYS 25 -6.192 -7.292 20.073 170 HE2 LYS 25 1HE LYS 25 -8.331 -6.796 22.129 171 HE3 LYS 25 2HE LYS 25 -6.612 -6.766 22.520 172 HZ1 LYS 25 1HZ LYS 25 -8.046 -5.002 20.614 173 HZ2 LYS 25 2HZ LYS 25 -6.361 -5.053 20.758 174 HZ3 LYS 25 3HZ LYS 25 -7.307 -4.553 22.069 175 H LYS 26 H LYS 26 -6.432 -5.770 15.448 176 HA LYS 26 HA LYS 26 -5.370 -7.974 13.906 177 HB2 LYS 26 1HB LYS 26 -7.651 -8.345 13.372 178 HB3 LYS 26 2HB LYS 26 -7.969 -6.624 13.197 179 HG2 LYS 26 1HG LYS 26 -7.893 -7.293 11.009 180 HG3 LYS 26 2HG LYS 26 -6.221 -6.789 11.266 181 HD2 LYS 26 1HD LYS 26 -6.085 -8.863 10.158 182 HD3 LYS 26 2HD LYS 26 -5.742 -9.217 11.853 183 HE2 LYS 26 1HE LYS 26 -8.144 -9.844 12.126 184 HE3 LYS 26 2HE LYS 26 -8.338 -9.656 10.384 185 HZ1 LYS 26 1HZ LYS 26 -7.933 -11.899 10.621 186 HZ2 LYS 26 2HZ LYS 26 -6.807 -11.689 11.865 187 HZ3 LYS 26 3HZ LYS 26 -6.386 -11.309 10.272 188 H ASN 27 H ASN 27 -3.628 -7.194 12.936 189 HA ASN 27 HA ASN 27 -3.375 -4.330 12.492 190 HB2 ASN 27 1HB ASN 27 -1.330 -6.506 12.009 191 HB3 ASN 27 2HB ASN 27 -1.029 -4.772 12.090 192 HD21 ASN 27 1HD2 ASN 27 -1.786 -7.642 13.904 193 HD22 ASN 27 2HD2 ASN 27 -1.400 -7.001 15.462 194 H VAL 28 H VAL 28 -4.607 -3.836 10.720 195 HA VAL 28 HA VAL 28 -4.186 -5.342 8.248 196 HB VAL 28 HB VAL 28 -6.143 -3.113 8.822 197 HG11 VAL 28 1HG1 VAL 28 -5.369 -4.524 6.389 198 HG12 VAL 28 2HG1 VAL 28 -7.105 -4.564 6.702 199 HG13 VAL 28 3HG1 VAL 28 -6.263 -3.018 6.591 200 HG21 VAL 28 1HG2 VAL 28 -7.825 -4.943 8.822 201 HG22 VAL 28 2HG2 VAL 28 -6.502 -6.108 8.779 202 HG23 VAL 28 3HG2 VAL 28 -6.685 -5.032 10.165 203 H PHE 29 H PHE 29 -2.973 -4.614 6.622 204 HA PHE 29 HA PHE 29 -1.957 -1.857 6.789 205 HB2 PHE 29 1HB PHE 29 -0.255 -3.658 6.966 206 HB3 PHE 29 2HB PHE 29 -0.726 -4.226 5.367 207 HD1 PHE 29 1HD PHE 29 -0.801 -0.663 5.866 208 HD2 PHE 29 2HD PHE 29 1.678 -3.942 4.759 209 HE1 PHE 29 1HE PHE 29 0.802 0.898 4.843 210 HE2 PHE 29 2HE PHE 29 3.285 -2.386 3.735 211 HZ PHE 29 HZ PHE 29 2.849 0.038 3.777 212 H VAL 30 H VAL 30 -3.347 -0.680 5.576 213 HA VAL 30 HA VAL 30 -4.348 -1.658 3.048 214 HB VAL 30 HB VAL 30 -4.622 1.121 4.195 215 HG11 VAL 30 1HG1 VAL 30 -5.937 -0.376 1.962 216 HG12 VAL 30 2HG1 VAL 30 -6.793 0.923 2.795 217 HG13 VAL 30 3HG1 VAL 30 -5.268 1.256 1.973 218 HG21 VAL 30 1HG2 VAL 30 -5.547 -0.216 5.863 219 HG22 VAL 30 2HG2 VAL 30 -6.935 0.199 4.857 220 HG23 VAL 30 3HG2 VAL 30 -6.181 -1.388 4.707 221 H GLU 31 H GLU 31 -4.143 -0.359 1.057 222 HA GLU 31 HA GLU 31 -1.687 1.218 0.872 223 HB2 GLU 31 1HB GLU 31 -0.770 -0.827 0.231 224 HB3 GLU 31 2HB GLU 31 -2.244 -1.348 -0.573 225 HG2 GLU 31 1HG GLU 31 -1.791 0.514 -2.249 226 HG3 GLU 31 2HG GLU 31 -0.179 0.597 -1.540 227 H PHE 32 H PHE 32 -2.536 3.100 0.223 228 HA PHE 32 HA PHE 32 -4.751 3.202 -1.628 229 HB2 PHE 32 1HB PHE 32 -3.091 5.421 -0.413 230 HB3 PHE 32 2HB PHE 32 -4.558 5.652 -1.359 231 HD1 PHE 32 1HD PHE 32 -6.734 5.067 -0.444 232 HD2 PHE 32 2HD PHE 32 -3.178 4.641 1.856 233 HE1 PHE 32 1HE PHE 32 -8.085 4.872 1.602 234 HE2 PHE 32 2HE PHE 32 -4.524 4.443 3.906 235 HZ PHE 32 HZ PHE 32 -6.981 4.558 3.781 236 H TYR 33 H TYR 33 -4.135 2.514 -3.623 237 HA TYR 33 HA TYR 33 -1.799 3.798 -4.860 238 HB2 TYR 33 1HB TYR 33 -1.784 1.982 -6.448 239 HB3 TYR 33 2HB TYR 33 -1.882 1.303 -4.827 240 HD1 TYR 33 2HD TYR 33 -3.899 2.120 -7.832 241 HD2 TYR 33 1HD TYR 33 -3.661 -0.115 -4.219 242 HE1 TYR 33 2HE TYR 33 -5.899 0.850 -8.493 243 HE2 TYR 33 1HE TYR 33 -5.659 -1.392 -4.871 244 HH TYR 33 HH TYR 33 -6.751 -1.909 -7.452 245 H ALA 34 H ALA 34 -2.080 4.091 -7.317 246 HA ALA 34 HA ALA 34 -4.760 5.165 -7.897 247 HB1 ALA 34 1HB ALA 34 -2.650 6.771 -7.385 248 HB2 ALA 34 2HB ALA 34 -2.495 6.580 -9.132 249 HB3 ALA 34 3HB ALA 34 -3.992 7.209 -8.444 250 HA PRO 35 HA PRO 35 -4.449 2.662 -11.524 251 HB2 PRO 35 1HB PRO 35 -6.501 3.769 -12.914 252 HB3 PRO 35 2HB PRO 35 -6.746 2.684 -11.540 253 HG2 PRO 35 1HG PRO 35 -6.846 5.675 -11.634 254 HG3 PRO 35 2HG PRO 35 -7.933 4.544 -10.805 255 HD2 PRO 35 1HD PRO 35 -5.971 5.892 -9.513 256 HD3 PRO 35 2HD PRO 35 -6.491 4.265 -9.028 257 H TRP 36 H TRP 36 -3.744 5.946 -11.348 258 HA TRP 36 HA TRP 36 -2.823 5.965 -14.148 259 HB2 TRP 36 1HB TRP 36 -2.931 8.588 -13.636 260 HB3 TRP 36 2HB TRP 36 -4.313 7.691 -14.261 261 HD1 TRP 36 HD TRP 36 -6.403 7.395 -12.675 262 HE1 TRP 36 1HE TRP 36 -7.063 8.456 -10.425 263 HE3 TRP 36 3HE TRP 36 -1.902 9.457 -11.398 264 HZ2 TRP 36 2HZ TRP 36 -5.838 9.967 -8.380 265 HZ3 TRP 36 3HZ TRP 36 -1.731 10.694 -9.279 266 HH2 TRP 36 HH TRP 36 -3.659 10.944 -7.802 267 H CYS 37 H CYS 37 -1.960 6.113 -10.880 268 HA CYS 37 HA CYS 37 0.421 7.681 -11.151 269 HB2 CYS 37 1HB CYS 37 -0.718 7.497 -8.995 270 HB3 CYS 37 2HB CYS 37 -0.438 5.760 -8.978 271 HG CYS 37 HG CYS 37 1.893 8.234 -8.640 272 H GLY 38 H GLY 38 1.770 6.869 -12.702 273 HA2 GLY 38 1HA GLY 38 2.358 4.378 -13.503 274 HA3 GLY 38 2HA GLY 38 3.611 5.598 -13.323 275 H HIS 39 H HIS 39 3.752 5.861 -10.589 276 HA HIS 39 HA HIS 39 5.489 3.868 -9.827 277 HB2 HIS 39 1HB HIS 39 3.790 5.740 -8.189 278 HB3 HIS 39 2HB HIS 39 4.925 4.623 -7.439 279 HD1 HIS 39 1HD HIS 39 7.495 4.977 -8.120 280 HD2 HIS 39 2HD HIS 39 4.896 8.060 -9.120 281 HE1 HIS 39 1HE HIS 39 8.960 6.966 -8.588 282 HE2 HIS 39 2HE HIS 39 7.362 8.841 -9.108 283 H CYS 40 H CYS 40 2.030 4.124 -9.040 284 HA CYS 40 HA CYS 40 1.734 1.918 -7.427 285 HB2 CYS 40 1HB CYS 40 -0.231 3.082 -7.576 286 HB3 CYS 40 2HB CYS 40 -0.051 3.376 -9.301 287 HG CYS 40 HG CYS 40 -0.925 0.332 -8.011 288 H LYS 41 H LYS 41 1.552 2.013 -10.977 289 HA LYS 41 HA LYS 41 0.915 -0.562 -11.577 290 HB2 LYS 41 1HB LYS 41 2.956 1.218 -12.913 291 HB3 LYS 41 2HB LYS 41 2.401 -0.303 -13.600 292 HG2 LYS 41 1HG LYS 41 0.195 0.516 -13.863 293 HG3 LYS 41 2HG LYS 41 0.539 1.946 -12.887 294 HD2 LYS 41 1HD LYS 41 2.166 2.675 -14.606 295 HD3 LYS 41 2HD LYS 41 1.702 1.287 -15.593 296 HE2 LYS 41 1HE LYS 41 -0.434 3.116 -14.621 297 HE3 LYS 41 2HE LYS 41 0.602 3.664 -15.937 298 HZ1 LYS 41 1HZ LYS 41 -0.518 0.983 -16.170 299 HZ2 LYS 41 2HZ LYS 41 -0.252 2.152 -17.363 300 HZ3 LYS 41 3HZ LYS 41 -1.598 2.274 -16.346 301 H GLN 42 H GLN 42 3.899 0.595 -10.212 302 HA GLN 42 HA GLN 42 5.268 -1.929 -10.630 303 HB2 GLN 42 1HB GLN 42 6.070 0.626 -9.238 304 HB3 GLN 42 2HB GLN 42 7.094 -0.803 -9.298 305 HG2 GLN 42 1HG GLN 42 6.707 -0.597 -11.877 306 HG3 GLN 42 2HG GLN 42 6.328 1.076 -11.474 307 HE21 GLN 42 1HE2 GLN 42 8.258 1.301 -12.935 308 HE22 GLN 42 2HE2 GLN 42 9.811 1.327 -12.179 309 H LEU 43 H LEU 43 3.489 -0.286 -8.139 310 HA LEU 43 HA LEU 43 4.379 -2.046 -6.029 311 HB2 LEU 43 1HB LEU 43 3.595 0.420 -5.859 312 HB3 LEU 43 2HB LEU 43 1.975 -0.272 -5.860 313 HG LEU 43 HG LEU 43 2.634 -1.609 -3.849 314 HD11 LEU 43 1HD1 LEU 43 5.196 -0.453 -4.482 315 HD12 LEU 43 2HD1 LEU 43 4.792 -1.742 -3.349 316 HD13 LEU 43 3HD1 LEU 43 4.712 -0.058 -2.832 317 HD21 LEU 43 1HD2 LEU 43 1.321 0.413 -3.620 318 HD22 LEU 43 2HD2 LEU 43 2.784 1.397 -3.640 319 HD23 LEU 43 3HD2 LEU 43 2.480 0.295 -2.296 320 H ALA 44 H ALA 44 1.998 -2.094 -8.463 321 HA ALA 44 HA ALA 44 -0.124 -3.456 -7.347 322 HB1 ALA 44 1HB ALA 44 -0.784 -3.268 -9.456 323 HB2 ALA 44 2HB ALA 44 0.869 -2.954 -9.985 324 HB3 ALA 44 3HB ALA 44 0.278 -4.612 -9.876 325 HA PRO 45 HA PRO 45 2.165 -7.632 -8.231 326 HB2 PRO 45 1HB PRO 45 4.831 -7.486 -8.718 327 HB3 PRO 45 2HB PRO 45 3.615 -7.411 -9.999 328 HG2 PRO 45 1HG PRO 45 5.104 -5.181 -8.668 329 HG3 PRO 45 2HG PRO 45 4.737 -5.411 -10.387 330 HD2 PRO 45 1HD PRO 45 3.312 -3.739 -8.803 331 HD3 PRO 45 2HD PRO 45 2.583 -4.621 -10.161 332 H ILE 46 H ILE 46 4.455 -5.274 -6.839 333 HA ILE 46 HA ILE 46 5.542 -6.932 -4.881 334 HB ILE 46 HB ILE 46 5.124 -3.945 -4.713 335 HG12 ILE 46 1HG1 ILE 46 7.727 -5.191 -5.459 336 HG13 ILE 46 2HG1 ILE 46 6.463 -5.139 -6.683 337 HG21 ILE 46 1HG2 ILE 46 5.809 -5.480 -2.653 338 HG22 ILE 46 2HG2 ILE 46 7.399 -5.312 -3.396 339 HG23 ILE 46 3HG2 ILE 46 6.499 -3.877 -2.904 340 HD11 ILE 46 1HD1 ILE 46 7.214 -3.109 -7.164 341 HD12 ILE 46 2HD1 ILE 46 6.472 -2.584 -5.652 342 HD13 ILE 46 3HD1 ILE 46 8.178 -3.031 -5.689 343 H TRP 47 H TRP 47 2.659 -4.895 -4.804 344 HA TRP 47 HA TRP 47 2.109 -5.328 -2.040 345 HB2 TRP 47 1HB TRP 47 1.269 -3.408 -3.506 346 HB3 TRP 47 2HB TRP 47 0.080 -4.548 -4.131 347 HD1 TRP 47 HD TRP 47 -2.158 -4.463 -2.910 348 HE1 TRP 47 1HE TRP 47 -2.967 -3.755 -0.571 349 HE3 TRP 47 3HE TRP 47 2.355 -3.297 -0.809 350 HZ2 TRP 47 2HZ TRP 47 -1.841 -2.824 1.844 351 HZ3 TRP 47 3HZ TRP 47 2.402 -2.504 1.520 352 HH2 TRP 47 HH TRP 47 0.347 -2.273 2.817 353 H ASP 48 H ASP 48 1.177 -6.915 -5.028 354 HA ASP 48 HA ASP 48 -0.813 -8.586 -3.825 355 HB2 ASP 48 1HB ASP 48 -1.191 -8.332 -6.094 356 HB3 ASP 48 2HB ASP 48 0.520 -8.443 -6.498 357 H LYS 49 H LYS 49 2.622 -8.766 -4.310 358 HA LYS 49 HA LYS 49 2.821 -11.594 -3.842 359 HB2 LYS 49 1HB LYS 49 4.831 -9.359 -4.016 360 HB3 LYS 49 2HB LYS 49 5.304 -10.992 -3.563 361 HG2 LYS 49 1HG LYS 49 4.965 -11.823 -5.656 362 HG3 LYS 49 2HG LYS 49 3.708 -10.646 -6.041 363 HD2 LYS 49 1HD LYS 49 5.487 -9.962 -7.370 364 HD3 LYS 49 2HD LYS 49 5.629 -8.916 -5.955 365 HE2 LYS 49 1HE LYS 49 7.281 -10.535 -5.019 366 HE3 LYS 49 2HE LYS 49 7.214 -11.412 -6.546 367 HZ1 LYS 49 1HZ LYS 49 8.213 -9.671 -7.681 368 HZ2 LYS 49 2HZ LYS 49 9.061 -9.700 -6.218 369 HZ3 LYS 49 3HZ LYS 49 7.864 -8.534 -6.477 370 H LEU 50 H LEU 50 2.807 -8.718 -1.900 371 HA LEU 50 HA LEU 50 3.876 -10.044 0.441 372 HB2 LEU 50 1HB LEU 50 4.496 -7.851 0.506 373 HB3 LEU 50 2HB LEU 50 3.012 -7.296 -0.265 374 HG LEU 50 HG LEU 50 1.853 -7.795 1.939 375 HD11 LEU 50 1HD1 LEU 50 2.977 -8.537 3.715 376 HD12 LEU 50 2HD1 LEU 50 4.322 -7.433 3.434 377 HD13 LEU 50 3HD1 LEU 50 4.253 -8.974 2.578 378 HD21 LEU 50 1HD2 LEU 50 2.214 -5.644 2.676 379 HD22 LEU 50 2HD2 LEU 50 2.762 -5.536 1.003 380 HD23 LEU 50 3HD2 LEU 50 3.938 -5.691 2.309 381 H GLY 51 H GLY 51 0.745 -8.979 -0.782 382 HA2 GLY 51 1HA GLY 51 -0.781 -9.369 1.532 383 HA3 GLY 51 2HA GLY 51 -1.394 -9.468 -0.112 384 H GLU 52 H GLU 52 0.106 -11.657 -1.024 385 HA GLU 52 HA GLU 52 -1.479 -13.797 -0.113 386 HB2 GLU 52 1HB GLU 52 -0.198 -15.185 -1.579 387 HB3 GLU 52 2HB GLU 52 -0.393 -13.626 -2.366 388 HG2 GLU 52 1HG GLU 52 1.839 -13.008 -1.917 389 HG3 GLU 52 2HG GLU 52 2.057 -14.346 -0.791 390 H THR 53 H THR 53 1.621 -12.583 0.889 391 HA THR 53 HA THR 53 2.524 -14.885 2.273 392 HB THR 53 HB THR 53 3.222 -11.970 2.667 393 HG1 THR 53 1HG THR 53 4.148 -14.036 1.026 394 HG21 THR 53 1HG2 THR 53 3.642 -13.439 4.674 395 HG22 THR 53 2HG2 THR 53 5.073 -12.660 3.998 396 HG23 THR 53 3HG2 THR 53 4.757 -14.363 3.668 397 H TYR 54 H TYR 54 0.594 -12.089 3.230 398 HA TYR 54 HA TYR 54 0.145 -13.371 5.845 399 HB2 TYR 54 1HB TYR 54 -0.149 -10.441 5.158 400 HB3 TYR 54 2HB TYR 54 -0.321 -11.165 6.753 401 HD1 TYR 54 2HD TYR 54 2.106 -10.417 4.060 402 HD2 TYR 54 1HD TYR 54 1.569 -11.565 8.122 403 HE1 TYR 54 2HE TYR 54 4.505 -10.064 4.471 404 HE2 TYR 54 1HE TYR 54 3.967 -11.214 8.544 405 HH TYR 54 HH TYR 54 5.860 -10.221 7.694 406 H LYS 55 H LYS 55 -1.269 -13.987 3.392 407 HA LYS 55 HA LYS 55 -3.838 -12.710 3.496 408 HB2 LYS 55 1HB LYS 55 -4.457 -14.142 1.712 409 HB3 LYS 55 2HB LYS 55 -2.772 -13.722 1.432 410 HG2 LYS 55 1HG LYS 55 -2.139 -15.893 2.493 411 HG3 LYS 55 2HG LYS 55 -3.854 -16.309 2.521 412 HD2 LYS 55 1HD LYS 55 -3.971 -16.552 0.246 413 HD3 LYS 55 2HD LYS 55 -2.661 -15.407 -0.052 414 HE2 LYS 55 1HE LYS 55 -1.790 -17.523 -0.607 415 HE3 LYS 55 2HE LYS 55 -1.112 -17.134 0.973 416 HZ1 LYS 55 1HZ LYS 55 -1.827 -19.363 1.069 417 HZ2 LYS 55 2HZ LYS 55 -3.323 -19.010 0.363 418 HZ3 LYS 55 3HZ LYS 55 -2.982 -18.477 1.932 419 H ASP 56 H ASP 56 -2.383 -15.571 4.857 420 HA ASP 56 HA ASP 56 -4.966 -16.254 6.102 421 HB2 ASP 56 1HB ASP 56 -4.087 -18.003 4.577 422 HB3 ASP 56 2HB ASP 56 -2.632 -18.102 5.565 423 H HIS 57 H HIS 57 -2.813 -14.357 6.961 424 HA HIS 57 HA HIS 57 -1.404 -15.473 9.143 425 HB2 HIS 57 1HB HIS 57 -1.264 -13.113 7.838 426 HB3 HIS 57 2HB HIS 57 -2.139 -12.606 9.280 427 HD1 HIS 57 1HD HIS 57 -0.853 -12.564 11.491 428 HD2 HIS 57 2HD HIS 57 1.392 -13.961 8.287 429 HE1 HIS 57 1HE HIS 57 1.523 -12.631 12.313 430 HE2 HIS 57 2HE HIS 57 2.874 -13.398 10.331 431 H GLU 58 H GLU 58 -1.816 -14.079 11.367 432 HA GLU 58 HA GLU 58 -4.509 -14.913 12.183 433 HB2 GLU 58 1HB GLU 58 -3.676 -15.098 14.409 434 HB3 GLU 58 2HB GLU 58 -2.497 -15.865 13.355 435 HG2 GLU 58 1HG GLU 58 -1.229 -13.678 13.405 436 HG3 GLU 58 2HG GLU 58 -2.310 -13.195 14.712 437 H ASN 59 H ASN 59 -2.194 -12.248 12.616 438 HA ASN 59 HA ASN 59 -4.474 -10.491 13.247 439 HB2 ASN 59 1HB ASN 59 -2.988 -9.130 14.583 440 HB3 ASN 59 2HB ASN 59 -2.852 -10.803 15.116 441 HD21 ASN 59 1HD2 ASN 59 -0.940 -11.856 14.923 442 HD22 ASN 59 2HD2 ASN 59 0.515 -11.111 14.364 443 H ILE 60 H ILE 60 -1.644 -10.991 11.298 444 HA ILE 60 HA ILE 60 -1.664 -8.335 10.167 445 HB ILE 60 HB ILE 60 -0.183 -10.770 9.171 446 HG12 ILE 60 1HG1 ILE 60 0.673 -8.641 11.143 447 HG13 ILE 60 2HG1 ILE 60 0.413 -10.346 11.495 448 HG21 ILE 60 1HG2 ILE 60 0.647 -9.461 7.580 449 HG22 ILE 60 2HG2 ILE 60 -0.515 -8.226 8.063 450 HG23 ILE 60 3HG2 ILE 60 1.106 -8.232 8.759 451 HD11 ILE 60 1HD1 ILE 60 2.298 -10.084 9.363 452 HD12 ILE 60 2HD1 ILE 60 2.793 -9.086 10.731 453 HD13 ILE 60 3HD1 ILE 60 2.503 -10.811 10.957 454 H VAL 61 H VAL 61 -3.061 -7.705 8.674 455 HA VAL 61 HA VAL 61 -3.936 -9.640 6.640 456 HB VAL 61 HB VAL 61 -5.645 -7.909 8.376 457 HG11 VAL 61 1HG1 VAL 61 -7.454 -8.464 6.545 458 HG12 VAL 61 2HG1 VAL 61 -6.455 -7.014 6.428 459 HG13 VAL 61 3HG1 VAL 61 -6.053 -8.443 5.476 460 HG21 VAL 61 1HG2 VAL 61 -6.236 -10.605 7.186 461 HG22 VAL 61 2HG2 VAL 61 -5.299 -10.412 8.667 462 HG23 VAL 61 3HG2 VAL 61 -6.968 -9.846 8.600 463 H ILE 62 H ILE 62 -3.072 -8.910 4.808 464 HA ILE 62 HA ILE 62 -2.587 -6.109 4.353 465 HB ILE 62 HB ILE 62 -2.285 -8.442 2.459 466 HG12 ILE 62 1HG1 ILE 62 -0.875 -8.609 4.489 467 HG13 ILE 62 2HG1 ILE 62 0.080 -8.374 3.029 468 HG21 ILE 62 1HG2 ILE 62 -2.190 -5.650 1.998 469 HG22 ILE 62 2HG2 ILE 62 -0.544 -6.269 1.883 470 HG23 ILE 62 3HG2 ILE 62 -1.817 -6.959 0.877 471 HD11 ILE 62 1HD1 ILE 62 0.497 -6.105 3.574 472 HD12 ILE 62 2HD1 ILE 62 -0.677 -6.141 4.890 473 HD13 ILE 62 3HD1 ILE 62 0.821 -7.062 5.019 474 H ALA 63 H ALA 63 -3.614 -4.754 2.927 475 HA ALA 63 HA ALA 63 -5.813 -5.745 1.308 476 HB1 ALA 63 1HB ALA 63 -7.284 -5.335 2.964 477 HB2 ALA 63 2HB ALA 63 -6.195 -4.231 3.805 478 HB3 ALA 63 3HB ALA 63 -7.123 -3.666 2.416 479 H LYS 64 H LYS 64 -6.482 -4.288 -0.315 480 HA LYS 64 HA LYS 64 -4.777 -1.907 -0.633 481 HB2 LYS 64 1HB LYS 64 -4.501 -2.353 -2.961 482 HB3 LYS 64 2HB LYS 64 -4.091 -3.831 -2.101 483 HG2 LYS 64 1HG LYS 64 -6.159 -4.845 -2.696 484 HG3 LYS 64 2HG LYS 64 -6.786 -3.325 -3.336 485 HD2 LYS 64 1HD LYS 64 -5.025 -3.362 -5.065 486 HD3 LYS 64 2HD LYS 64 -4.478 -4.923 -4.446 487 HE2 LYS 64 1HE LYS 64 -6.879 -5.711 -4.846 488 HE3 LYS 64 2HE LYS 64 -7.071 -4.244 -5.804 489 HZ1 LYS 64 1HZ LYS 64 -6.463 -6.112 -7.194 490 HZ2 LYS 64 2HZ LYS 64 -5.065 -6.382 -6.282 491 HZ3 LYS 64 3HZ LYS 64 -5.220 -4.964 -7.192 492 H MET 65 H MET 65 -5.746 -0.078 -1.400 493 HA MET 65 HA MET 65 -8.546 -0.246 -2.252 494 HB2 MET 65 1HB MET 65 -8.301 0.315 0.235 495 HB3 MET 65 2HB MET 65 -7.629 1.852 -0.294 496 HG2 MET 65 1HG MET 65 -9.654 2.484 -1.338 497 HG3 MET 65 2HG MET 65 -10.322 0.861 -1.173 498 HE1 MET 65 1HE MET 65 -11.916 3.825 0.270 499 HE2 MET 65 2HE MET 65 -10.718 4.362 1.448 500 HE3 MET 65 3HE MET 65 -10.263 4.164 -0.245 501 H ASP 66 H ASP 66 -9.188 1.316 -3.709 502 HA ASP 66 HA ASP 66 -7.007 2.835 -4.928 503 HB2 ASP 66 1HB ASP 66 -8.490 1.308 -6.295 504 HB3 ASP 66 2HB ASP 66 -9.802 2.445 -6.003 505 H SER 67 H SER 67 -6.776 4.677 -3.745 506 HA SER 67 HA SER 67 -8.773 6.181 -2.542 507 HB2 SER 67 1HB SER 67 -6.131 6.365 -2.494 508 HB3 SER 67 2HB SER 67 -6.420 7.598 -3.720 509 HG SER 67 HG SER 67 -7.250 7.537 -1.030 510 H THR 68 H THR 68 -7.637 6.188 -5.857 511 HA THR 68 HA THR 68 -9.011 8.567 -6.635 512 HB THR 68 HB THR 68 -8.240 8.190 -8.783 513 HG1 THR 68 1HG THR 68 -7.984 5.398 -8.322 514 HG21 THR 68 1HG2 THR 68 -6.417 8.055 -6.926 515 HG22 THR 68 2HG2 THR 68 -5.988 7.668 -8.593 516 HG23 THR 68 3HG2 THR 68 -6.282 6.372 -7.434 517 H ALA 69 H ALA 69 -9.909 5.257 -6.258 518 HA ALA 69 HA ALA 69 -12.423 5.714 -7.713 519 HB1 ALA 69 1HB ALA 69 -12.083 3.685 -8.541 520 HB2 ALA 69 2HB ALA 69 -10.665 3.464 -7.516 521 HB3 ALA 69 3HB ALA 69 -12.264 3.021 -6.917 522 H ASN 70 H ASN 70 -11.122 5.608 -4.610 523 HA ASN 70 HA ASN 70 -13.769 5.704 -3.434 524 HB2 ASN 70 1HB ASN 70 -11.756 3.721 -2.362 525 HB3 ASN 70 2HB ASN 70 -13.419 3.952 -1.829 526 HD21 ASN 70 1HD2 ASN 70 -11.335 2.429 -4.066 527 HD22 ASN 70 2HD2 ASN 70 -12.541 1.551 -4.939 528 H GLU 71 H GLU 71 -13.570 7.663 -2.531 529 HA GLU 71 HA GLU 71 -11.121 8.315 -1.060 530 HB2 GLU 71 1HB GLU 71 -12.353 9.831 -2.847 531 HB3 GLU 71 2HB GLU 71 -13.327 10.286 -1.456 532 HG2 GLU 71 1HG GLU 71 -11.610 11.372 -0.427 533 HG3 GLU 71 2HG GLU 71 -10.375 10.359 -1.172 534 H VAL 72 H VAL 72 -11.073 8.580 1.100 535 HA VAL 72 HA VAL 72 -13.620 8.578 2.569 536 HB VAL 72 HB VAL 72 -12.460 7.119 4.304 537 HG11 VAL 72 1HG1 VAL 72 -12.989 5.806 1.644 538 HG12 VAL 72 2HG1 VAL 72 -13.159 5.090 3.248 539 HG13 VAL 72 3HG1 VAL 72 -14.253 6.375 2.733 540 HG21 VAL 72 1HG2 VAL 72 -10.218 7.075 3.782 541 HG22 VAL 72 2HG2 VAL 72 -10.762 5.550 3.083 542 HG23 VAL 72 3HG2 VAL 72 -10.513 6.956 2.047 543 H GLU 73 H GLU 73 -13.685 9.850 4.364 544 HA GLU 73 HA GLU 73 -11.640 11.828 4.653 545 HB2 GLU 73 1HB GLU 73 -13.071 12.856 6.254 546 HB3 GLU 73 2HB GLU 73 -14.106 12.223 4.982 547 HG2 GLU 73 1HG GLU 73 -14.212 10.136 6.593 548 HG3 GLU 73 2HG GLU 73 -13.815 11.355 7.803 549 H ALA 74 H ALA 74 -12.360 8.811 6.163 550 HA ALA 74 HA ALA 74 -11.050 9.218 8.636 551 HB1 ALA 74 1HB ALA 74 -11.616 7.088 9.079 552 HB2 ALA 74 2HB ALA 74 -12.587 7.238 7.614 553 HB3 ALA 74 3HB ALA 74 -10.990 6.492 7.542 554 H VAL 75 H VAL 75 -9.802 9.213 5.566 555 HA VAL 75 HA VAL 75 -7.097 8.931 6.572 556 HB VAL 75 HB VAL 75 -8.249 7.069 4.512 557 HG11 VAL 75 1HG1 VAL 75 -5.456 8.088 4.755 558 HG12 VAL 75 2HG1 VAL 75 -5.727 6.412 4.273 559 HG13 VAL 75 3HG1 VAL 75 -6.401 7.727 3.310 560 HG21 VAL 75 1HG2 VAL 75 -6.612 5.574 5.984 561 HG22 VAL 75 2HG2 VAL 75 -6.950 6.837 7.167 562 HG23 VAL 75 3HG2 VAL 75 -8.275 5.907 6.468 563 H LYS 76 H LYS 76 -5.911 10.511 5.739 564 HA LYS 76 HA LYS 76 -6.873 11.894 3.347 565 HB2 LYS 76 1HB LYS 76 -4.825 12.673 5.428 566 HB3 LYS 76 2HB LYS 76 -5.219 13.649 4.019 567 HG2 LYS 76 1HG LYS 76 -7.253 12.823 6.074 568 HG3 LYS 76 2HG LYS 76 -6.335 14.328 6.158 569 HD2 LYS 76 1HD LYS 76 -7.379 15.218 4.291 570 HD3 LYS 76 2HD LYS 76 -7.843 13.632 3.670 571 HE2 LYS 76 1HE LYS 76 -8.974 14.782 6.210 572 HE3 LYS 76 2HE LYS 76 -9.702 15.070 4.630 573 HZ1 LYS 76 1HZ LYS 76 -9.825 12.610 4.380 574 HZ2 LYS 76 2HZ LYS 76 -10.804 13.232 5.611 575 HZ3 LYS 76 3HZ LYS 76 -9.348 12.461 5.996 576 H VAL 77 H VAL 77 -5.925 11.641 1.437 577 HA VAL 77 HA VAL 77 -3.120 10.770 1.339 578 HB VAL 77 HB VAL 77 -5.208 9.661 -0.530 579 HG11 VAL 77 1HG1 VAL 77 -3.553 8.328 -1.391 580 HG12 VAL 77 2HG1 VAL 77 -2.621 9.770 -0.981 581 HG13 VAL 77 3HG1 VAL 77 -2.597 8.369 0.091 582 HG21 VAL 77 1HG2 VAL 77 -5.059 7.570 0.785 583 HG22 VAL 77 2HG2 VAL 77 -4.113 8.432 1.999 584 HG23 VAL 77 3HG2 VAL 77 -5.785 8.900 1.689 585 H HIS 78 H HIS 78 -2.233 12.614 0.575 586 HA HIS 78 HA HIS 78 -3.443 13.859 -1.797 587 HB2 HIS 78 1HB HIS 78 -1.280 15.043 -0.057 588 HB3 HIS 78 2HB HIS 78 -2.303 15.874 -1.225 589 HD1 HIS 78 1HD HIS 78 -5.066 14.937 -0.330 590 HD2 HIS 78 2HD HIS 78 -2.078 16.139 2.295 591 HE1 HIS 78 1HE HIS 78 -6.258 15.637 1.771 592 HE2 HIS 78 2HE HIS 78 -4.437 16.440 3.314 593 H SER 79 H SER 79 -1.814 11.414 -1.816 594 HA SER 79 HA SER 79 -0.194 11.991 -4.048 595 HB2 SER 79 1HB SER 79 2.008 11.817 -3.206 596 HB3 SER 79 2HB SER 79 1.197 12.930 -2.104 597 HG SER 79 HG SER 79 2.187 11.499 -0.794 598 H PHE 80 H PHE 80 1.303 10.026 -4.528 599 HA PHE 80 HA PHE 80 0.560 7.527 -3.343 600 HB2 PHE 80 1HB PHE 80 -0.250 7.826 -6.224 601 HB3 PHE 80 2HB PHE 80 -0.698 6.565 -5.080 602 HD1 PHE 80 2HD PHE 80 -1.316 10.026 -6.133 603 HD2 PHE 80 1HD PHE 80 -2.523 6.853 -3.566 604 HE1 PHE 80 2HE PHE 80 -3.398 11.234 -5.624 605 HE2 PHE 80 1HE PHE 80 -4.607 8.056 -3.053 606 HZ PHE 80 HZ PHE 80 -5.046 10.251 -4.081 607 HA PRO 81 HA PRO 81 0.583 5.331 -4.162 608 HB2 PRO 81 1HB PRO 81 2.292 3.520 -3.081 609 HB3 PRO 81 2HB PRO 81 1.832 3.507 -4.788 610 HG2 PRO 81 1HG PRO 81 4.306 4.596 -3.501 611 HG3 PRO 81 2HG PRO 81 4.144 3.650 -4.992 612 HD2 PRO 81 1HD PRO 81 4.466 6.338 -5.000 613 HD3 PRO 81 2HD PRO 81 3.522 5.486 -6.238 614 H THR 82 H THR 82 -0.225 5.117 -2.102 615 HA THR 82 HA THR 82 1.376 6.282 0.081 616 HB THR 82 HB THR 82 -1.560 6.707 -0.490 617 HG1 THR 82 1HG THR 82 0.708 8.421 -0.331 618 HG21 THR 82 1HG2 THR 82 -1.939 7.069 1.675 619 HG22 THR 82 2HG2 THR 82 -0.607 8.223 1.742 620 HG23 THR 82 3HG2 THR 82 -0.306 6.510 2.033 621 H LEU 83 H LEU 83 1.714 4.893 1.677 622 HA LEU 83 HA LEU 83 -0.190 2.678 2.046 623 HB2 LEU 83 1HB LEU 83 2.702 2.803 2.881 624 HB3 LEU 83 2HB LEU 83 1.631 1.409 3.006 625 HG LEU 83 HG LEU 83 2.608 2.658 0.438 626 HD11 LEU 83 1HD1 LEU 83 4.387 1.502 1.610 627 HD12 LEU 83 2HD1 LEU 83 3.883 0.575 0.198 628 HD13 LEU 83 3HD1 LEU 83 3.362 0.081 1.809 629 HD21 LEU 83 1HD2 LEU 83 0.521 1.750 -0.070 630 HD22 LEU 83 2HD2 LEU 83 0.735 0.394 1.038 631 HD23 LEU 83 3HD2 LEU 83 1.650 0.456 -0.469 632 H LYS 84 H LYS 84 -1.025 2.250 4.044 633 HA LYS 84 HA LYS 84 -0.127 3.865 6.315 634 HB2 LYS 84 1HB LYS 84 -3.027 3.641 5.486 635 HB3 LYS 84 2HB LYS 84 -2.412 4.494 6.896 636 HG2 LYS 84 1HG LYS 84 -1.009 5.766 5.034 637 HG3 LYS 84 2HG LYS 84 -2.381 5.272 4.039 638 HD2 LYS 84 1HD LYS 84 -3.899 6.291 5.720 639 HD3 LYS 84 2HD LYS 84 -2.481 6.876 6.594 640 HE2 LYS 84 1HE LYS 84 -1.848 7.908 4.278 641 HE3 LYS 84 2HE LYS 84 -3.569 7.727 3.945 642 HZ1 LYS 84 1HZ LYS 84 -4.086 9.400 5.311 643 HZ2 LYS 84 2HZ LYS 84 -2.460 9.846 5.172 644 HZ3 LYS 84 3HZ LYS 84 -2.975 8.931 6.498 645 H PHE 85 H PHE 85 0.142 2.631 8.049 646 HA PHE 85 HA PHE 85 -0.994 -0.056 8.064 647 HB2 PHE 85 1HB PHE 85 1.355 0.022 8.524 648 HB3 PHE 85 2HB PHE 85 1.135 1.273 9.743 649 HD1 PHE 85 1HD PHE 85 0.308 0.730 11.950 650 HD2 PHE 85 2HD PHE 85 0.854 -2.290 9.001 651 HE1 PHE 85 1HE PHE 85 0.135 -0.998 13.693 652 HE2 PHE 85 2HE PHE 85 0.680 -4.023 10.739 653 HZ PHE 85 HZ PHE 85 0.320 -3.378 13.088 654 H PHE 86 H PHE 86 -2.599 -0.689 9.364 655 HA PHE 86 HA PHE 86 -3.615 1.257 11.321 656 HB2 PHE 86 1HB PHE 86 -5.080 -1.041 10.008 657 HB3 PHE 86 2HB PHE 86 -5.785 0.164 11.080 658 HD1 PHE 86 1HD PHE 86 -3.741 2.233 9.548 659 HD2 PHE 86 2HD PHE 86 -6.981 -0.317 8.490 660 HE1 PHE 86 1HE PHE 86 -4.233 3.667 7.610 661 HE2 PHE 86 2HE PHE 86 -7.477 1.112 6.550 662 HZ PHE 86 HZ PHE 86 -6.102 3.107 6.108 663 HA PRO 87 HA PRO 87 -2.055 -1.721 14.295 664 HB2 PRO 87 1HB PRO 87 -2.522 -0.153 16.461 665 HB3 PRO 87 2HB PRO 87 -1.125 0.066 15.400 666 HG2 PRO 87 1HG PRO 87 -3.721 1.556 15.445 667 HG3 PRO 87 2HG PRO 87 -2.072 2.185 15.264 668 HD2 PRO 87 1HD PRO 87 -3.739 1.838 13.158 669 HD3 PRO 87 2HD PRO 87 -1.979 1.648 13.025 670 H ALA 88 H ALA 88 -2.964 -2.788 16.210 671 HA ALA 88 HA ALA 88 -5.748 -3.389 15.826 672 HB1 ALA 88 1HB ALA 88 -3.488 -4.582 17.199 673 HB2 ALA 88 2HB ALA 88 -4.969 -4.658 18.155 674 HB3 ALA 88 3HB ALA 88 -4.934 -5.340 16.529 675 H SER 89 H SER 89 -5.628 -0.751 16.461 676 HA SER 89 HA SER 89 -6.259 -0.519 19.309 677 HB2 SER 89 1HB SER 89 -5.499 1.406 17.158 678 HB3 SER 89 2HB SER 89 -6.481 2.003 18.496 679 HG SER 89 HG SER 89 -3.932 0.770 18.633 680 H ALA 90 H ALA 90 -8.286 -0.565 19.995 681 HA ALA 90 HA ALA 90 -10.519 -1.067 18.524 682 HB1 ALA 90 1HB ALA 90 -10.001 -0.054 21.212 683 HB2 ALA 90 2HB ALA 90 -11.569 0.430 20.564 684 HB3 ALA 90 3HB ALA 90 -11.144 -1.279 20.660 685 H ASP 91 H ASP 91 -8.903 1.972 18.882 686 HA ASP 91 HA ASP 91 -11.137 3.481 17.786 687 HB2 ASP 91 1HB ASP 91 -8.380 4.573 18.298 688 HB3 ASP 91 2HB ASP 91 -9.919 5.430 18.294 689 H ARG 92 H ARG 92 -10.434 5.155 16.034 690 HA ARG 92 HA ARG 92 -9.465 3.592 13.789 691 HB2 ARG 92 1HB ARG 92 -10.730 6.320 14.012 692 HB3 ARG 92 2HB ARG 92 -10.111 5.684 12.494 693 HG2 ARG 92 1HG ARG 92 -12.279 5.055 12.292 694 HG3 ARG 92 2HG ARG 92 -11.662 3.639 13.147 695 HD2 ARG 92 1HD ARG 92 -13.479 4.099 14.445 696 HD3 ARG 92 2HD ARG 92 -12.279 5.099 15.263 697 HE ARG 92 HE ARG 92 -13.642 6.520 13.197 698 HH11 ARG 92 2HH1 ARG 92 -13.894 5.424 16.492 699 HH12 ARG 92 1HH1 ARG 92 -15.000 6.673 16.960 700 HH21 ARG 92 2HH2 ARG 92 -15.096 8.170 13.802 701 HH22 ARG 92 1HH2 ARG 92 -15.683 8.234 15.429 702 H THR 93 H THR 93 -7.266 3.558 14.816 703 HA THR 93 HA THR 93 -5.758 6.039 14.510 704 HB THR 93 HB THR 93 -4.780 3.358 15.508 705 HG1 THR 93 1HG THR 93 -5.867 5.609 16.863 706 HG21 THR 93 1HG2 THR 93 -2.817 4.430 15.100 707 HG22 THR 93 2HG2 THR 93 -3.177 5.174 16.658 708 HG23 THR 93 3HG2 THR 93 -3.553 6.031 15.164 709 H VAL 94 H VAL 94 -4.157 6.353 13.023 710 HA VAL 94 HA VAL 94 -3.660 4.184 11.094 711 HB VAL 94 HB VAL 94 -4.295 7.067 10.510 712 HG11 VAL 94 1HG1 VAL 94 -2.326 6.649 9.238 713 HG12 VAL 94 2HG1 VAL 94 -2.913 5.061 8.738 714 HG13 VAL 94 3HG1 VAL 94 -3.697 6.523 8.136 715 HG21 VAL 94 1HG2 VAL 94 -5.377 4.748 8.997 716 HG22 VAL 94 2HG2 VAL 94 -5.982 5.036 10.628 717 HG23 VAL 94 3HG2 VAL 94 -6.135 6.289 9.396 718 H ILE 95 H ILE 95 -1.580 3.860 10.543 719 HA ILE 95 HA ILE 95 0.406 5.753 11.618 720 HB ILE 95 HB ILE 95 0.577 2.772 11.206 721 HG12 ILE 95 1HG1 ILE 95 0.818 4.565 13.629 722 HG13 ILE 95 2HG1 ILE 95 -0.472 3.418 13.287 723 HG21 ILE 95 1HG2 ILE 95 2.762 4.768 11.731 724 HG22 ILE 95 2HG2 ILE 95 2.923 3.057 12.121 725 HG23 ILE 95 3HG2 ILE 95 2.667 3.559 10.450 726 HD11 ILE 95 1HD1 ILE 95 1.441 1.668 13.299 727 HD12 ILE 95 2HD1 ILE 95 2.322 2.911 14.188 728 HD13 ILE 95 3HD1 ILE 95 0.801 2.282 14.823 729 H ASP 96 H ASP 96 1.805 6.692 10.265 730 HA ASP 96 HA ASP 96 1.498 6.317 7.437 731 HB2 ASP 96 1HB ASP 96 3.313 8.054 7.300 732 HB3 ASP 96 2HB ASP 96 1.892 8.549 8.217 733 H TYR 97 H TYR 97 2.823 5.303 6.019 734 HA TYR 97 HA TYR 97 5.063 3.781 7.174 735 HB2 TYR 97 1HB TYR 97 3.227 2.415 6.242 736 HB3 TYR 97 2HB TYR 97 3.455 3.191 4.679 737 HD1 TYR 97 1HD TYR 97 5.717 2.901 3.526 738 HD2 TYR 97 2HD TYR 97 4.471 0.517 6.823 739 HE1 TYR 97 1HE TYR 97 7.389 1.202 2.921 740 HE2 TYR 97 2HE TYR 97 6.140 -1.188 6.228 741 HH TYR 97 HH TYR 97 8.680 -0.674 4.277 742 H ASN 98 H ASN 98 6.940 4.755 6.786 743 HA ASN 98 HA ASN 98 7.463 5.721 4.057 744 HB2 ASN 98 1HB ASN 98 7.982 7.103 6.671 745 HB3 ASN 98 2HB ASN 98 9.003 7.436 5.275 746 HD21 ASN 98 1HD2 ASN 98 5.707 7.507 6.476 747 HD22 ASN 98 2HD2 ASN 98 5.141 8.730 5.395 748 H GLY 99 H GLY 99 8.324 3.461 3.969 749 HA2 GLY 99 1HA GLY 99 11.094 3.416 4.998 750 HA3 GLY 99 2HA GLY 99 10.085 1.978 4.964 751 H GLU 100 H GLU 100 11.616 0.887 3.678 752 HA GLU 100 HA GLU 100 12.559 1.880 1.201 753 HB2 GLU 100 1HB GLU 100 13.161 -0.520 0.765 754 HB3 GLU 100 2HB GLU 100 13.796 0.139 2.266 755 HG2 GLU 100 1HG GLU 100 12.011 -0.959 3.512 756 HG3 GLU 100 2HG GLU 100 11.362 -1.613 2.009 757 H ARG 101 H ARG 101 9.597 0.427 2.165 758 HA ARG 101 HA ARG 101 7.702 -0.149 1.046 759 HB2 ARG 101 1HB ARG 101 8.969 1.910 -0.683 760 HB3 ARG 101 2HB ARG 101 7.661 0.968 -1.388 761 HG2 ARG 101 1HG ARG 101 6.304 1.600 0.665 762 HG3 ARG 101 2HG ARG 101 7.573 2.779 1.002 763 HD2 ARG 101 1HD ARG 101 6.405 2.723 -1.730 764 HD3 ARG 101 2HD ARG 101 5.425 3.392 -0.426 765 HE ARG 101 HE ARG 101 6.853 5.195 -0.307 766 HH11 ARG 101 2HH1 ARG 101 8.230 2.724 -2.336 767 HH12 ARG 101 1HH1 ARG 101 9.500 3.740 -2.935 768 HH21 ARG 101 2HH2 ARG 101 8.520 6.542 -1.088 769 HH22 ARG 101 1HH2 ARG 101 9.664 5.911 -2.223 770 H THR 102 H THR 102 9.431 -2.158 1.025 771 HA THR 102 HA THR 102 9.186 -3.260 -1.694 772 HB THR 102 HB THR 102 11.304 -4.413 -1.481 773 HG1 THR 102 1HG THR 102 11.174 -3.398 1.134 774 HG21 THR 102 1HG2 THR 102 11.956 -2.503 -2.484 775 HG22 THR 102 2HG2 THR 102 12.717 -2.152 -0.932 776 HG23 THR 102 3HG2 THR 102 11.128 -1.486 -1.305 777 H LEU 103 H LEU 103 8.661 -5.430 -1.842 778 HA LEU 103 HA LEU 103 6.916 -6.601 -0.203 779 HB2 LEU 103 1HB LEU 103 7.584 -7.589 -2.311 780 HB3 LEU 103 2HB LEU 103 9.154 -8.023 -1.638 781 HG LEU 103 HG LEU 103 8.042 -9.600 -0.111 782 HD11 LEU 103 1HD1 LEU 103 5.685 -8.225 -1.063 783 HD12 LEU 103 2HD1 LEU 103 5.887 -9.288 0.329 784 HD13 LEU 103 3HD1 LEU 103 5.543 -9.973 -1.259 785 HD21 LEU 103 1HD2 LEU 103 7.180 -10.113 -2.948 786 HD22 LEU 103 2HD2 LEU 103 7.636 -11.292 -1.717 787 HD23 LEU 103 3HD2 LEU 103 8.858 -10.227 -2.414 788 H ASP 104 H ASP 104 10.432 -7.074 0.118 789 HA ASP 104 HA ASP 104 10.215 -8.580 2.527 790 HB2 ASP 104 1HB ASP 104 12.443 -7.369 0.956 791 HB3 ASP 104 2HB ASP 104 12.758 -7.820 2.629 792 H GLY 105 H GLY 105 10.726 -5.179 1.775 793 HA2 GLY 105 1HA GLY 105 11.463 -4.308 4.348 794 HA3 GLY 105 2HA GLY 105 10.734 -3.306 3.101 795 H PHE 106 H PHE 106 8.294 -4.758 2.861 796 HA PHE 106 HA PHE 106 6.789 -3.510 4.893 797 HB2 PHE 106 1HB PHE 106 5.999 -5.689 2.949 798 HB3 PHE 106 2HB PHE 106 4.871 -4.776 3.946 799 HD1 PHE 106 2HD PHE 106 5.689 -2.059 3.748 800 HD2 PHE 106 1HD PHE 106 5.765 -5.082 0.753 801 HE1 PHE 106 2HE PHE 106 5.548 -0.329 2.004 802 HE2 PHE 106 1HE PHE 106 5.625 -3.357 -0.996 803 HZ PHE 106 HZ PHE 106 5.516 -0.977 -0.372 804 H LYS 107 H LYS 107 7.781 -6.870 4.393 805 HA LYS 107 HA LYS 107 6.366 -8.100 6.427 806 HB2 LYS 107 1HB LYS 107 9.184 -8.721 5.522 807 HB3 LYS 107 2HB LYS 107 8.138 -9.807 6.428 808 HG2 LYS 107 1HG LYS 107 6.526 -9.363 4.372 809 HG3 LYS 107 2HG LYS 107 8.064 -9.042 3.566 810 HD2 LYS 107 1HD LYS 107 8.858 -11.260 4.500 811 HD3 LYS 107 2HD LYS 107 7.177 -11.569 4.941 812 HE2 LYS 107 1HE LYS 107 6.672 -11.017 2.468 813 HE3 LYS 107 2HE LYS 107 8.397 -11.286 2.218 814 HZ1 LYS 107 1HZ LYS 107 6.632 -13.223 2.037 815 HZ2 LYS 107 2HZ LYS 107 6.926 -13.326 3.699 816 HZ3 LYS 107 3HZ LYS 107 8.203 -13.495 2.602 817 H LYS 108 H LYS 108 9.451 -6.377 6.591 818 HA LYS 108 HA LYS 108 10.057 -6.960 9.272 819 HB2 LYS 108 1HB LYS 108 10.788 -4.411 7.831 820 HB3 LYS 108 2HB LYS 108 11.657 -5.187 9.149 821 HG2 LYS 108 1HG LYS 108 11.974 -7.152 7.549 822 HG3 LYS 108 2HG LYS 108 11.461 -6.036 6.281 823 HD2 LYS 108 1HD LYS 108 13.869 -6.046 6.400 824 HD3 LYS 108 2HD LYS 108 13.270 -4.488 6.976 825 HE2 LYS 108 1HE LYS 108 13.711 -6.649 8.970 826 HE3 LYS 108 2HE LYS 108 15.126 -5.850 8.287 827 HZ1 LYS 108 1HZ LYS 108 13.218 -3.912 9.014 828 HZ2 LYS 108 2HZ LYS 108 14.783 -4.131 9.616 829 HZ3 LYS 108 3HZ LYS 108 13.481 -4.939 10.333 830 H PHE 109 H PHE 109 8.577 -4.030 7.874 831 HA PHE 109 HA PHE 109 8.054 -2.677 10.227 832 HB2 PHE 109 1HB PHE 109 7.760 -1.738 7.945 833 HB3 PHE 109 2HB PHE 109 6.303 -2.709 7.760 834 HD1 PHE 109 2HD PHE 109 7.810 0.154 9.485 835 HD2 PHE 109 1HD PHE 109 4.256 -2.098 8.842 836 HE1 PHE 109 2HE PHE 109 6.486 1.957 10.510 837 HE2 PHE 109 1HE PHE 109 2.927 -0.298 9.865 838 HZ PHE 109 HZ PHE 109 4.041 1.732 10.702 839 H LEU 110 H LEU 110 6.109 -5.146 8.607 840 HA LEU 110 HA LEU 110 3.908 -4.987 10.395 841 HB2 LEU 110 1HB LEU 110 4.800 -7.218 8.575 842 HB3 LEU 110 2HB LEU 110 3.251 -7.159 9.413 843 HG LEU 110 HG LEU 110 4.128 -5.105 7.389 844 HD11 LEU 110 1HD1 LEU 110 2.945 -6.251 5.721 845 HD12 LEU 110 2HD1 LEU 110 2.200 -7.350 6.882 846 HD13 LEU 110 3HD1 LEU 110 3.919 -7.488 6.515 847 HD21 LEU 110 1HD2 LEU 110 1.339 -5.354 7.551 848 HD22 LEU 110 2HD2 LEU 110 2.336 -4.011 8.111 849 HD23 LEU 110 3HD2 LEU 110 1.924 -5.325 9.215 850 H GLU 111 H GLU 111 6.307 -7.603 10.004 851 HA GLU 111 HA GLU 111 5.788 -9.182 12.107 852 HB2 GLU 111 1HB GLU 111 8.438 -8.253 11.037 853 HB3 GLU 111 2HB GLU 111 8.356 -9.394 12.372 854 HG2 GLU 111 1HG GLU 111 6.738 -10.672 10.736 855 HG3 GLU 111 2HG GLU 111 7.623 -9.755 9.519 856 H SER 112 H SER 112 7.342 -6.027 12.292 857 HA SER 112 HA SER 112 7.998 -6.163 15.050 858 HB2 SER 112 1HB SER 112 7.535 -3.690 13.367 859 HB3 SER 112 2HB SER 112 8.432 -3.779 14.883 860 HG SER 112 HG SER 112 9.429 -4.031 12.516 861 H GLY 113 H GLY 113 5.244 -4.818 13.269 862 HA2 GLY 113 1HA GLY 113 3.043 -5.108 14.340 863 HA3 GLY 113 2HA GLY 113 3.810 -4.627 15.846 864 H GLY 114 H GLY 114 4.507 -3.056 12.799 865 HA2 GLY 114 1HA GLY 114 4.012 -0.952 12.010 866 HA3 GLY 114 2HA GLY 114 2.604 -0.959 13.061 867 H GLN 115 H GLN 115 6.056 -1.178 13.863 868 HA GLN 115 HA GLN 115 5.825 0.616 16.036 869 HB2 GLN 115 1HB GLN 115 8.169 -0.548 14.553 870 HB3 GLN 115 2HB GLN 115 8.396 0.622 15.846 871 HG2 GLN 115 1HG GLN 115 6.923 -0.987 17.233 872 HG3 GLN 115 2HG GLN 115 7.333 -2.165 15.987 873 HE21 GLN 115 1HE2 GLN 115 8.792 -3.476 16.828 874 HE22 GLN 115 2HE2 GLN 115 10.222 -2.994 17.668 875 H SER 116 H SER 116 5.761 2.758 16.059 876 HA SER 116 HA SER 116 6.105 4.252 13.622 877 HB2 SER 116 1HB SER 116 5.445 5.123 16.444 878 HB3 SER 116 2HB SER 116 5.490 6.211 15.057 879 HG SER 116 HG SER 116 3.946 3.906 14.819 880 H GLY 117 H GLY 117 7.577 4.497 16.869 881 HA2 GLY 117 1HA GLY 117 9.941 5.707 15.579 882 HA3 GLY 117 2HA GLY 117 9.432 6.040 17.227 883 HA PRO 118 HA PRO 118 12.818 2.891 17.399 884 HB2 PRO 118 1HB PRO 118 14.133 4.082 19.453 885 HB3 PRO 118 2HB PRO 118 14.396 4.520 17.761 886 HG2 PRO 118 1HG PRO 118 12.710 5.877 19.829 887 HG3 PRO 118 2HG PRO 118 13.801 6.594 18.630 888 HD2 PRO 118 1HD PRO 118 11.116 6.511 18.290 889 HD3 PRO 118 2HD PRO 118 12.253 6.417 16.931 890 H SER 119 H SER 119 12.938 1.191 18.805 891 HA SER 119 HA SER 119 10.916 0.339 20.325 892 HB2 SER 119 1HB SER 119 12.411 -1.137 21.481 893 HB3 SER 119 2HB SER 119 13.071 -0.895 19.863 894 HG SER 119 HG SER 119 14.814 -0.329 20.883 895 H SER 120 H SER 120 9.767 1.304 21.853 896 HA SER 120 HA SER 120 11.158 2.997 23.818 897 HB2 SER 120 1HB SER 120 9.431 4.140 22.465 898 HB3 SER 120 2HB SER 120 8.227 2.994 23.056 899 HG SER 120 HG SER 120 8.702 5.209 24.157 900 H GLY 121 H GLY 121 11.757 1.396 25.275 901 HA2 GLY 121 1HA GLY 121 10.945 0.691 27.490 902 HA3 GLY 121 2HA GLY 121 9.498 0.109 26.681 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -11.934 -27.127 1.268 2 HA2 GLY 1 1HA GLY 1 -10.559 -29.709 1.655 3 HA3 GLY 1 2HA GLY 1 -11.097 -29.205 0.059 4 H SER 2 H SER 2 -9.574 -28.348 -1.171 5 HA SER 2 HA SER 2 -7.047 -27.562 -0.040 6 HB2 SER 2 1HB SER 2 -7.255 -28.794 -2.209 7 HB3 SER 2 2HB SER 2 -7.970 -27.345 -2.915 8 HG SER 2 HG SER 2 -5.962 -26.855 -3.315 9 H SER 3 H SER 3 -9.340 -25.884 -2.201 10 HA SER 3 HA SER 3 -8.286 -23.366 -2.131 11 HB2 SER 3 1HB SER 3 -10.570 -22.522 -2.561 12 HB3 SER 3 2HB SER 3 -10.210 -23.955 -3.524 13 HG SER 3 HG SER 3 -12.312 -23.783 -2.275 14 H GLY 4 H GLY 4 -8.072 -21.762 -0.690 15 HA2 GLY 4 1HA GLY 4 -9.364 -22.133 1.941 16 HA3 GLY 4 2HA GLY 4 -7.778 -21.410 1.721 17 H SER 5 H SER 5 -7.663 -19.325 0.650 18 HA SER 5 HA SER 5 -10.155 -17.779 0.947 19 HB2 SER 5 1HB SER 5 -7.325 -17.014 1.677 20 HB3 SER 5 2HB SER 5 -8.628 -15.835 1.532 21 HG SER 5 HG SER 5 -8.292 -16.645 3.692 22 H SER 6 H SER 6 -10.842 -17.376 -1.058 23 HA SER 6 HA SER 6 -9.186 -17.216 -3.336 24 HB2 SER 6 1HB SER 6 -12.042 -16.406 -2.809 25 HB3 SER 6 2HB SER 6 -11.282 -16.155 -4.381 26 HG SER 6 HG SER 6 -11.084 -18.319 -4.642 27 H GLY 7 H GLY 7 -7.566 -15.721 -3.176 28 HA2 GLY 7 1HA GLY 7 -7.296 -13.394 -4.097 29 HA3 GLY 7 2HA GLY 7 -8.404 -12.909 -2.822 30 HA PRO 8 HA PRO 8 -3.828 -13.645 -1.319 31 HB2 PRO 8 1HB PRO 8 -2.296 -11.823 -2.624 32 HB3 PRO 8 2HB PRO 8 -2.509 -13.483 -3.193 33 HG2 PRO 8 1HG PRO 8 -3.878 -10.980 -4.100 34 HG3 PRO 8 2HG PRO 8 -3.231 -12.316 -5.070 35 HD2 PRO 8 1HD PRO 8 -5.867 -12.069 -4.505 36 HD3 PRO 8 2HD PRO 8 -5.075 -13.646 -4.697 37 H VAL 9 H VAL 9 -4.884 -10.454 -2.521 38 HA VAL 9 HA VAL 9 -4.482 -9.399 0.203 39 HB VAL 9 HB VAL 9 -2.928 -8.211 -1.043 40 HG11 VAL 9 1HG1 VAL 9 -3.182 -7.466 -3.297 41 HG12 VAL 9 2HG1 VAL 9 -3.703 -9.151 -3.229 42 HG13 VAL 9 3HG1 VAL 9 -4.902 -7.858 -3.292 43 HG21 VAL 9 1HG2 VAL 9 -3.597 -6.104 -0.649 44 HG22 VAL 9 2HG2 VAL 9 -5.006 -6.248 -1.700 45 HG23 VAL 9 3HG2 VAL 9 -5.072 -6.860 -0.047 46 H LYS 10 H LYS 10 -6.127 -8.323 1.159 47 HA LYS 10 HA LYS 10 -8.755 -8.656 0.191 48 HB2 LYS 10 1HB LYS 10 -7.486 -7.298 2.507 49 HB3 LYS 10 2HB LYS 10 -9.111 -6.781 2.078 50 HG2 LYS 10 1HG LYS 10 -9.558 -9.382 2.066 51 HG3 LYS 10 2HG LYS 10 -8.163 -9.382 3.148 52 HD2 LYS 10 1HD LYS 10 -9.890 -9.137 4.649 53 HD3 LYS 10 2HD LYS 10 -9.467 -7.451 4.341 54 HE2 LYS 10 1HE LYS 10 -11.643 -8.945 2.885 55 HE3 LYS 10 2HE LYS 10 -11.919 -7.931 4.301 56 HZ1 LYS 10 1HZ LYS 10 -10.715 -6.151 2.901 57 HZ2 LYS 10 2HZ LYS 10 -12.335 -6.500 2.564 58 HZ3 LYS 10 3HZ LYS 10 -11.111 -7.136 1.584 59 H VAL 11 H VAL 11 -10.270 -7.126 -0.534 60 HA VAL 11 HA VAL 11 -9.067 -4.720 -1.740 61 HB VAL 11 HB VAL 11 -11.456 -6.301 -2.699 62 HG11 VAL 11 1HG1 VAL 11 -11.206 -3.676 -3.029 63 HG12 VAL 11 2HG1 VAL 11 -10.172 -4.205 -4.357 64 HG13 VAL 11 3HG1 VAL 11 -11.856 -4.725 -4.289 65 HG21 VAL 11 1HG2 VAL 11 -10.038 -7.535 -3.879 66 HG22 VAL 11 2HG2 VAL 11 -9.345 -6.086 -4.608 67 HG23 VAL 11 3HG2 VAL 11 -8.690 -6.711 -3.095 68 H LEU 12 H LEU 12 -9.490 -3.185 -0.220 69 HA LEU 12 HA LEU 12 -12.049 -3.005 1.086 70 HB2 LEU 12 1HB LEU 12 -9.887 -0.916 1.055 71 HB3 LEU 12 2HB LEU 12 -11.153 -1.149 2.259 72 HG LEU 12 HG LEU 12 -8.999 -3.194 1.802 73 HD11 LEU 12 1HD1 LEU 12 -8.855 -0.598 3.209 74 HD12 LEU 12 2HD1 LEU 12 -7.583 -1.549 2.443 75 HD13 LEU 12 3HD1 LEU 12 -8.177 -1.998 4.042 76 HD21 LEU 12 1HD2 LEU 12 -11.200 -2.757 3.717 77 HD22 LEU 12 2HD2 LEU 12 -9.674 -3.320 4.400 78 HD23 LEU 12 3HD2 LEU 12 -10.475 -4.257 3.138 79 H VAL 13 H VAL 13 -13.626 -1.444 0.793 80 HA VAL 13 HA VAL 13 -13.365 0.235 -1.614 81 HB VAL 13 HB VAL 13 -15.872 -0.105 -1.900 82 HG11 VAL 13 1HG1 VAL 13 -14.116 -2.523 -2.310 83 HG12 VAL 13 2HG1 VAL 13 -15.581 -2.116 -3.206 84 HG13 VAL 13 3HG1 VAL 13 -14.143 -1.105 -3.357 85 HG21 VAL 13 1HG2 VAL 13 -16.628 -1.069 0.065 86 HG22 VAL 13 2HG2 VAL 13 -16.541 -2.455 -1.022 87 HG23 VAL 13 3HG2 VAL 13 -15.265 -2.184 0.164 88 H GLY 14 H GLY 14 -14.926 2.067 -1.653 89 HA2 GLY 14 1HA GLY 14 -14.739 3.568 0.739 90 HA3 GLY 14 2HA GLY 14 -15.656 4.020 -0.689 91 H LYS 15 H LYS 15 -16.765 1.055 0.090 92 HA LYS 15 HA LYS 15 -19.105 2.176 1.418 93 HB2 LYS 15 1HB LYS 15 -19.489 0.742 -0.511 94 HB3 LYS 15 2HB LYS 15 -18.589 -0.564 0.248 95 HG2 LYS 15 1HG LYS 15 -20.384 -0.277 2.139 96 HG3 LYS 15 2HG LYS 15 -21.324 0.449 0.833 97 HD2 LYS 15 1HD LYS 15 -20.012 -2.257 0.640 98 HD3 LYS 15 2HD LYS 15 -21.679 -2.017 1.166 99 HE2 LYS 15 1HE LYS 15 -22.029 -2.382 -1.060 100 HE3 LYS 15 2HE LYS 15 -21.812 -0.632 -1.080 101 HZ1 LYS 15 1HZ LYS 15 -19.724 -0.812 -1.989 102 HZ2 LYS 15 2HZ LYS 15 -20.517 -2.100 -2.745 103 HZ3 LYS 15 3HZ LYS 15 -19.483 -2.394 -1.439 104 H ASN 16 H ASN 16 -16.885 -0.576 1.876 105 HA ASN 16 HA ASN 16 -17.424 -0.397 4.766 106 HB2 ASN 16 1HB ASN 16 -17.234 -2.823 4.932 107 HB3 ASN 16 2HB ASN 16 -18.507 -2.393 3.794 108 HD21 ASN 16 1HD2 ASN 16 -15.149 -3.416 4.035 109 HD22 ASN 16 2HD2 ASN 16 -15.091 -4.210 2.501 110 H PHE 17 H PHE 17 -15.307 0.835 3.192 111 HA PHE 17 HA PHE 17 -12.882 -0.507 3.259 112 HB2 PHE 17 1HB PHE 17 -12.645 1.486 2.166 113 HB3 PHE 17 2HB PHE 17 -13.709 2.343 3.276 114 HD1 PHE 17 2HD PHE 17 -10.356 0.714 3.211 115 HD2 PHE 17 1HD PHE 17 -12.785 3.864 4.728 116 HE1 PHE 17 2HE PHE 17 -8.394 1.680 4.339 117 HE2 PHE 17 1HE PHE 17 -10.827 4.835 5.857 118 HZ PHE 17 HZ PHE 17 -8.628 3.742 5.664 119 H GLU 18 H GLU 18 -13.940 1.891 5.683 120 HA GLU 18 HA GLU 18 -11.971 1.322 7.567 121 HB2 GLU 18 1HB GLU 18 -14.749 2.454 7.857 122 HB3 GLU 18 2HB GLU 18 -13.653 2.299 9.223 123 HG2 GLU 18 1HG GLU 18 -12.064 3.773 8.179 124 HG3 GLU 18 2HG GLU 18 -13.044 3.847 6.715 125 H ASP 19 H ASP 19 -15.091 -0.188 7.005 126 HA ASP 19 HA ASP 19 -15.473 -1.630 9.309 127 HB2 ASP 19 1HB ASP 19 -16.838 -1.538 7.070 128 HB3 ASP 19 2HB ASP 19 -15.907 -2.979 6.669 129 H VAL 20 H VAL 20 -13.576 -2.657 6.474 130 HA VAL 20 HA VAL 20 -12.535 -4.942 7.928 131 HB VAL 20 HB VAL 20 -11.911 -3.960 5.139 132 HG11 VAL 20 1HG1 VAL 20 -10.896 -6.148 4.792 133 HG12 VAL 20 2HG1 VAL 20 -10.089 -5.284 6.101 134 HG13 VAL 20 3HG1 VAL 20 -11.227 -6.580 6.469 135 HG21 VAL 20 1HG2 VAL 20 -13.972 -4.736 4.721 136 HG22 VAL 20 2HG2 VAL 20 -13.245 -6.334 4.894 137 HG23 VAL 20 3HG2 VAL 20 -14.068 -5.586 6.263 138 H ALA 21 H ALA 21 -11.505 -1.760 6.928 139 HA ALA 21 HA ALA 21 -8.723 -2.114 7.328 140 HB1 ALA 21 1HB ALA 21 -10.545 0.133 6.839 141 HB2 ALA 21 2HB ALA 21 -9.092 0.542 7.753 142 HB3 ALA 21 3HB ALA 21 -8.952 -0.209 6.163 143 H PHE 22 H PHE 22 -11.032 -0.274 9.337 144 HA PHE 22 HA PHE 22 -9.244 -0.410 11.599 145 HB2 PHE 22 1HB PHE 22 -11.981 0.800 11.208 146 HB3 PHE 22 2HB PHE 22 -11.138 0.826 12.754 147 HD1 PHE 22 2HD PHE 22 -8.623 1.709 12.559 148 HD2 PHE 22 1HD PHE 22 -11.791 2.649 9.876 149 HE1 PHE 22 2HE PHE 22 -7.434 3.752 11.876 150 HE2 PHE 22 1HE PHE 22 -10.606 4.693 9.188 151 HZ PHE 22 HZ PHE 22 -8.425 5.248 10.189 152 H ASP 23 H ASP 23 -9.092 -2.429 12.424 153 HA ASP 23 HA ASP 23 -11.556 -3.586 13.523 154 HB2 ASP 23 1HB ASP 23 -10.707 -4.716 11.352 155 HB3 ASP 23 2HB ASP 23 -9.415 -5.353 12.367 156 H GLU 24 H GLU 24 -11.272 -4.862 15.405 157 HA GLU 24 HA GLU 24 -9.002 -4.029 16.996 158 HB2 GLU 24 1HB GLU 24 -11.110 -3.936 18.101 159 HB3 GLU 24 2HB GLU 24 -11.508 -5.581 17.625 160 HG2 GLU 24 1HG GLU 24 -10.946 -5.804 19.851 161 HG3 GLU 24 2HG GLU 24 -9.456 -6.253 19.023 162 H LYS 25 H LYS 25 -7.578 -5.440 18.081 163 HA LYS 25 HA LYS 25 -6.040 -7.128 18.062 164 HB2 LYS 25 1HB LYS 25 -8.715 -8.400 18.217 165 HB3 LYS 25 2HB LYS 25 -7.360 -9.465 17.869 166 HG2 LYS 25 1HG LYS 25 -7.139 -7.553 20.139 167 HG3 LYS 25 2HG LYS 25 -8.120 -9.007 20.331 168 HD2 LYS 25 1HD LYS 25 -6.180 -9.969 20.934 169 HD3 LYS 25 2HD LYS 25 -5.865 -10.026 19.198 170 HE2 LYS 25 1HE LYS 25 -4.906 -7.638 19.566 171 HE3 LYS 25 2HE LYS 25 -4.816 -8.125 21.258 172 HZ1 LYS 25 1HZ LYS 25 -2.809 -8.872 20.609 173 HZ2 LYS 25 2HZ LYS 25 -3.249 -9.027 18.983 174 HZ3 LYS 25 3HZ LYS 25 -3.687 -10.224 20.095 175 H LYS 26 H LYS 26 -6.451 -5.957 15.521 176 HA LYS 26 HA LYS 26 -5.404 -8.074 13.861 177 HB2 LYS 26 1HB LYS 26 -7.710 -8.456 13.391 178 HB3 LYS 26 2HB LYS 26 -8.034 -6.734 13.239 179 HG2 LYS 26 1HG LYS 26 -8.010 -7.465 11.045 180 HG3 LYS 26 2HG LYS 26 -6.383 -6.817 11.265 181 HD2 LYS 26 1HD LYS 26 -6.050 -8.863 10.178 182 HD3 LYS 26 2HD LYS 26 -5.713 -9.213 11.875 183 HE2 LYS 26 1HE LYS 26 -8.205 -9.886 11.987 184 HE3 LYS 26 2HE LYS 26 -8.106 -9.954 10.228 185 HZ1 LYS 26 1HZ LYS 26 -7.570 -12.088 10.779 186 HZ2 LYS 26 2HZ LYS 26 -6.812 -11.662 12.229 187 HZ3 LYS 26 3HZ LYS 26 -6.021 -11.408 10.755 188 H ASN 27 H ASN 27 -3.678 -7.200 12.945 189 HA ASN 27 HA ASN 27 -3.535 -4.319 12.559 190 HB2 ASN 27 1HB ASN 27 -1.402 -6.409 12.072 191 HB3 ASN 27 2HB ASN 27 -1.168 -4.666 12.159 192 HD21 ASN 27 1HD2 ASN 27 -1.861 -7.560 13.967 193 HD22 ASN 27 2HD2 ASN 27 -1.498 -6.911 15.526 194 H VAL 28 H VAL 28 -4.807 -3.882 10.788 195 HA VAL 28 HA VAL 28 -4.344 -5.334 8.304 196 HB VAL 28 HB VAL 28 -6.265 -3.066 8.844 197 HG11 VAL 28 1HG1 VAL 28 -6.220 -3.059 6.580 198 HG12 VAL 28 2HG1 VAL 28 -5.629 -4.718 6.476 199 HG13 VAL 28 3HG1 VAL 28 -7.336 -4.407 6.790 200 HG21 VAL 28 1HG2 VAL 28 -7.096 -4.726 10.207 201 HG22 VAL 28 2HG2 VAL 28 -7.912 -5.090 8.687 202 HG23 VAL 28 3HG2 VAL 28 -6.498 -6.024 9.173 203 H PHE 29 H PHE 29 -3.141 -4.604 6.667 204 HA PHE 29 HA PHE 29 -2.083 -1.864 6.858 205 HB2 PHE 29 1HB PHE 29 -0.396 -3.672 7.035 206 HB3 PHE 29 2HB PHE 29 -0.875 -4.249 5.442 207 HD1 PHE 29 1HD PHE 29 -0.866 -0.676 5.994 208 HD2 PHE 29 2HD PHE 29 1.482 -3.999 4.743 209 HE1 PHE 29 1HE PHE 29 0.750 0.861 4.956 210 HE2 PHE 29 2HE PHE 29 3.102 -2.467 3.704 211 HZ PHE 29 HZ PHE 29 2.738 -0.033 3.810 212 H VAL 30 H VAL 30 -3.459 -0.669 5.646 213 HA VAL 30 HA VAL 30 -4.453 -1.625 3.106 214 HB VAL 30 HB VAL 30 -4.722 1.143 4.281 215 HG11 VAL 30 1HG1 VAL 30 -6.050 -0.319 2.028 216 HG12 VAL 30 2HG1 VAL 30 -6.863 1.012 2.853 217 HG13 VAL 30 3HG1 VAL 30 -5.324 1.288 2.037 218 HG21 VAL 30 1HG2 VAL 30 -7.042 0.236 4.911 219 HG22 VAL 30 2HG2 VAL 30 -6.315 -1.360 4.730 220 HG23 VAL 30 3HG2 VAL 30 -5.671 -0.227 5.918 221 H GLU 31 H GLU 31 -4.105 -0.564 1.086 222 HA GLU 31 HA GLU 31 -1.673 1.079 0.939 223 HB2 GLU 31 1HB GLU 31 -0.802 -0.991 0.299 224 HB3 GLU 31 2HB GLU 31 -2.277 -1.464 -0.532 225 HG2 GLU 31 1HG GLU 31 -1.765 0.363 -2.201 226 HG3 GLU 31 2HG GLU 31 -0.176 0.474 -1.446 227 H PHE 32 H PHE 32 -2.545 2.978 0.341 228 HA PHE 32 HA PHE 32 -4.722 3.127 -1.542 229 HB2 PHE 32 1HB PHE 32 -3.044 5.314 -0.294 230 HB3 PHE 32 2HB PHE 32 -4.502 5.571 -1.247 231 HD1 PHE 32 1HD PHE 32 -6.694 4.845 -0.369 232 HD2 PHE 32 2HD PHE 32 -3.152 4.672 1.985 233 HE1 PHE 32 1HE PHE 32 -8.061 4.646 1.667 234 HE2 PHE 32 2HE PHE 32 -4.512 4.472 4.024 235 HZ PHE 32 HZ PHE 32 -6.970 4.458 3.868 236 H TYR 33 H TYR 33 -4.109 2.462 -3.543 237 HA TYR 33 HA TYR 33 -1.755 3.744 -4.752 238 HB2 TYR 33 1HB TYR 33 -1.712 1.928 -6.338 239 HB3 TYR 33 2HB TYR 33 -1.822 1.248 -4.719 240 HD1 TYR 33 2HD TYR 33 -3.807 2.046 -7.748 241 HD2 TYR 33 1HD TYR 33 -3.603 -0.176 -4.125 242 HE1 TYR 33 2HE TYR 33 -5.792 0.763 -8.429 243 HE2 TYR 33 1HE TYR 33 -5.586 -1.466 -4.797 244 HH TYR 33 HH TYR 33 -7.201 -0.865 -7.906 245 H ALA 34 H ALA 34 -2.030 3.996 -7.228 246 HA ALA 34 HA ALA 34 -4.703 5.085 -7.815 247 HB1 ALA 34 1HB ALA 34 -2.692 6.728 -7.290 248 HB2 ALA 34 2HB ALA 34 -2.331 6.430 -8.991 249 HB3 ALA 34 3HB ALA 34 -3.897 7.094 -8.525 250 HA PRO 35 HA PRO 35 -4.429 2.527 -11.406 251 HB2 PRO 35 1HB PRO 35 -6.477 3.634 -12.803 252 HB3 PRO 35 2HB PRO 35 -6.726 2.571 -11.413 253 HG2 PRO 35 1HG PRO 35 -6.800 5.560 -11.549 254 HG3 PRO 35 2HG PRO 35 -7.893 4.451 -10.699 255 HD2 PRO 35 1HD PRO 35 -5.914 5.800 -9.435 256 HD3 PRO 35 2HD PRO 35 -6.446 4.185 -8.925 257 H TRP 36 H TRP 36 -3.669 5.793 -11.273 258 HA TRP 36 HA TRP 36 -2.772 5.770 -14.080 259 HB2 TRP 36 1HB TRP 36 -2.844 8.400 -13.605 260 HB3 TRP 36 2HB TRP 36 -4.244 7.513 -14.203 261 HD1 TRP 36 HD TRP 36 -6.322 7.273 -12.593 262 HE1 TRP 36 1HE TRP 36 -6.944 8.374 -10.351 263 HE3 TRP 36 3HE TRP 36 -1.778 9.281 -11.388 264 HZ2 TRP 36 2HZ TRP 36 -5.676 9.894 -8.339 265 HZ3 TRP 36 3HZ TRP 36 -1.567 10.545 -9.287 266 HH2 TRP 36 HH TRP 36 -3.476 10.844 -7.796 267 H CYS 37 H CYS 37 -1.912 6.038 -10.797 268 HA CYS 37 HA CYS 37 0.458 7.574 -11.047 269 HB2 CYS 37 1HB CYS 37 -0.527 7.333 -8.876 270 HB3 CYS 37 2HB CYS 37 -0.451 5.577 -8.972 271 HG CYS 37 HG CYS 37 1.453 6.249 -7.132 272 H GLY 38 H GLY 38 2.139 7.013 -12.261 273 HA2 GLY 38 1HA GLY 38 2.671 4.529 -13.352 274 HA3 GLY 38 2HA GLY 38 3.883 5.778 -13.104 275 H HIS 39 H HIS 39 3.764 5.840 -10.260 276 HA HIS 39 HA HIS 39 5.605 3.798 -9.647 277 HB2 HIS 39 1HB HIS 39 4.131 5.859 -8.059 278 HB3 HIS 39 2HB HIS 39 4.971 4.569 -7.203 279 HD1 HIS 39 1HD HIS 39 7.173 5.362 -6.445 280 HD2 HIS 39 2HD HIS 39 6.164 6.956 -10.146 281 HE1 HIS 39 1HE HIS 39 9.132 6.789 -7.119 282 HE2 HIS 39 2HE HIS 39 8.462 7.810 -9.322 283 H CYS 40 H CYS 40 2.136 4.077 -9.188 284 HA CYS 40 HA CYS 40 1.774 1.921 -7.427 285 HB2 CYS 40 1HB CYS 40 -0.134 3.192 -7.574 286 HB3 CYS 40 2HB CYS 40 0.036 3.441 -9.307 287 HG CYS 40 HG CYS 40 -0.928 0.452 -7.957 288 H LYS 41 H LYS 41 1.635 2.062 -10.975 289 HA LYS 41 HA LYS 41 0.889 -0.493 -11.589 290 HB2 LYS 41 1HB LYS 41 2.805 1.402 -12.905 291 HB3 LYS 41 2HB LYS 41 2.573 -0.211 -13.565 292 HG2 LYS 41 1HG LYS 41 0.375 0.201 -14.154 293 HG3 LYS 41 2HG LYS 41 0.215 1.538 -13.012 294 HD2 LYS 41 1HD LYS 41 1.942 2.750 -14.441 295 HD3 LYS 41 2HD LYS 41 1.660 1.494 -15.649 296 HE2 LYS 41 1HE LYS 41 -0.686 2.911 -14.484 297 HE3 LYS 41 2HE LYS 41 0.304 3.757 -15.673 298 HZ1 LYS 41 1HZ LYS 41 -0.043 1.388 -16.862 299 HZ2 LYS 41 2HZ LYS 41 -1.040 2.730 -17.123 300 HZ3 LYS 41 3HZ LYS 41 -1.508 1.528 -16.028 301 H GLN 42 H GLN 42 3.869 0.550 -10.166 302 HA GLN 42 HA GLN 42 5.187 -1.996 -10.650 303 HB2 GLN 42 1HB GLN 42 6.036 0.568 -9.320 304 HB3 GLN 42 2HB GLN 42 7.010 -0.894 -9.218 305 HG2 GLN 42 1HG GLN 42 6.137 0.085 -11.891 306 HG3 GLN 42 2HG GLN 42 7.465 0.896 -11.063 307 HE21 GLN 42 1HE2 GLN 42 6.432 -1.935 -12.725 308 HE22 GLN 42 2HE2 GLN 42 7.968 -2.724 -12.788 309 H LEU 43 H LEU 43 3.448 -0.347 -8.139 310 HA LEU 43 HA LEU 43 4.308 -2.128 -6.040 311 HB2 LEU 43 1HB LEU 43 3.530 0.333 -5.853 312 HB3 LEU 43 2HB LEU 43 1.905 -0.348 -5.889 313 HG LEU 43 HG LEU 43 2.518 -1.707 -3.880 314 HD11 LEU 43 1HD1 LEU 43 4.675 -1.870 -3.374 315 HD12 LEU 43 2HD1 LEU 43 4.584 -0.208 -2.793 316 HD13 LEU 43 3HD1 LEU 43 5.099 -0.537 -4.447 317 HD21 LEU 43 1HD2 LEU 43 2.622 1.299 -3.713 318 HD22 LEU 43 2HD2 LEU 43 2.436 0.241 -2.314 319 HD23 LEU 43 3HD2 LEU 43 1.203 0.261 -3.576 320 H ALA 44 H ALA 44 1.963 -2.181 -8.501 321 HA ALA 44 HA ALA 44 -0.166 -3.558 -7.393 322 HB1 ALA 44 1HB ALA 44 0.263 -4.657 -9.955 323 HB2 ALA 44 2HB ALA 44 -0.845 -3.364 -9.495 324 HB3 ALA 44 3HB ALA 44 0.794 -2.976 -10.017 325 HA PRO 45 HA PRO 45 2.153 -7.700 -8.365 326 HB2 PRO 45 1HB PRO 45 4.821 -7.523 -8.834 327 HB3 PRO 45 2HB PRO 45 3.612 -7.428 -10.119 328 HG2 PRO 45 1HG PRO 45 5.076 -5.218 -8.729 329 HG3 PRO 45 2HG PRO 45 4.720 -5.411 -10.456 330 HD2 PRO 45 1HD PRO 45 3.274 -3.787 -8.843 331 HD3 PRO 45 2HD PRO 45 2.560 -4.643 -10.225 332 H ILE 46 H ILE 46 4.389 -5.341 -6.893 333 HA ILE 46 HA ILE 46 5.487 -7.040 -4.971 334 HB ILE 46 HB ILE 46 5.037 -4.064 -4.715 335 HG12 ILE 46 1HG1 ILE 46 7.648 -5.247 -5.532 336 HG13 ILE 46 2HG1 ILE 46 6.371 -5.171 -6.740 337 HG21 ILE 46 1HG2 ILE 46 7.009 -5.885 -3.341 338 HG22 ILE 46 2HG2 ILE 46 6.934 -4.132 -3.173 339 HG23 ILE 46 3HG2 ILE 46 5.600 -5.131 -2.597 340 HD11 ILE 46 1HD1 ILE 46 8.051 -3.064 -5.664 341 HD12 ILE 46 2HD1 ILE 46 7.116 -3.122 -7.159 342 HD13 ILE 46 3HD1 ILE 46 6.336 -2.654 -5.648 343 H TRP 47 H TRP 47 2.666 -4.897 -4.775 344 HA TRP 47 HA TRP 47 2.076 -5.407 -2.063 345 HB2 TRP 47 1HB TRP 47 1.189 -3.516 -3.532 346 HB3 TRP 47 2HB TRP 47 0.038 -4.689 -4.168 347 HD1 TRP 47 HD TRP 47 -2.217 -4.631 -2.979 348 HE1 TRP 47 1HE TRP 47 -3.064 -3.960 -0.643 349 HE3 TRP 47 3HE TRP 47 2.253 -3.424 -0.810 350 HZ2 TRP 47 2HZ TRP 47 -1.981 -3.040 1.796 351 HZ3 TRP 47 3HZ TRP 47 2.260 -2.657 1.528 352 HH2 TRP 47 HH TRP 47 0.186 -2.469 2.802 353 H ASP 48 H ASP 48 1.185 -7.032 -5.044 354 HA ASP 48 HA ASP 48 -0.817 -8.706 -3.940 355 HB2 ASP 48 1HB ASP 48 -0.910 -8.552 -6.264 356 HB3 ASP 48 2HB ASP 48 0.829 -8.764 -6.447 357 H LYS 49 H LYS 49 2.667 -8.970 -4.230 358 HA LYS 49 HA LYS 49 2.836 -11.719 -3.514 359 HB2 LYS 49 1HB LYS 49 4.904 -9.519 -3.356 360 HB3 LYS 49 2HB LYS 49 5.241 -11.232 -3.144 361 HG2 LYS 49 1HG LYS 49 5.033 -11.693 -5.364 362 HG3 LYS 49 2HG LYS 49 3.879 -10.386 -5.641 363 HD2 LYS 49 1HD LYS 49 5.505 -8.844 -5.993 364 HD3 LYS 49 2HD LYS 49 6.611 -9.588 -4.835 365 HE2 LYS 49 1HE LYS 49 5.996 -10.576 -7.619 366 HE3 LYS 49 2HE LYS 49 7.482 -9.784 -7.095 367 HZ1 LYS 49 1HZ LYS 49 6.893 -12.026 -5.456 368 HZ2 LYS 49 2HZ LYS 49 8.279 -11.706 -6.371 369 HZ3 LYS 49 3HZ LYS 49 6.957 -12.484 -7.084 370 H LEU 50 H LEU 50 3.370 -8.711 -1.687 371 HA LEU 50 HA LEU 50 3.910 -9.946 0.783 372 HB2 LEU 50 1HB LEU 50 4.567 -7.755 0.757 373 HB3 LEU 50 2HB LEU 50 3.127 -7.221 -0.108 374 HG LEU 50 HG LEU 50 1.869 -7.650 2.075 375 HD11 LEU 50 1HD1 LEU 50 3.414 -8.953 3.298 376 HD12 LEU 50 2HD1 LEU 50 3.361 -7.379 4.091 377 HD13 LEU 50 3HD1 LEU 50 4.715 -7.790 3.038 378 HD21 LEU 50 1HD2 LEU 50 2.468 -5.422 1.140 379 HD22 LEU 50 2HD2 LEU 50 3.950 -5.469 2.094 380 HD23 LEU 50 3HD2 LEU 50 2.382 -5.459 2.901 381 H GLY 51 H GLY 51 0.907 -8.936 -0.753 382 HA2 GLY 51 1HA GLY 51 -0.805 -9.169 1.455 383 HA3 GLY 51 2HA GLY 51 -1.287 -9.347 -0.225 384 H GLU 52 H GLU 52 -0.042 -11.582 -1.055 385 HA GLU 52 HA GLU 52 -1.624 -13.636 0.027 386 HB2 GLU 52 1HB GLU 52 -0.445 -15.124 -1.446 387 HB3 GLU 52 2HB GLU 52 -0.694 -13.600 -2.286 388 HG2 GLU 52 1HG GLU 52 1.545 -13.010 -2.149 389 HG3 GLU 52 2HG GLU 52 1.861 -14.137 -0.832 390 H THR 53 H THR 53 1.427 -12.375 0.970 391 HA THR 53 HA THR 53 2.413 -14.691 2.315 392 HB THR 53 HB THR 53 3.141 -11.774 2.638 393 HG1 THR 53 1HG THR 53 4.598 -13.860 1.363 394 HG21 THR 53 1HG2 THR 53 5.232 -12.717 3.681 395 HG22 THR 53 2HG2 THR 53 4.397 -14.268 3.777 396 HG23 THR 53 3HG2 THR 53 3.773 -12.874 4.658 397 H TYR 54 H TYR 54 0.348 -12.011 3.199 398 HA TYR 54 HA TYR 54 0.057 -13.189 5.885 399 HB2 TYR 54 1HB TYR 54 -0.196 -10.274 5.115 400 HB3 TYR 54 2HB TYR 54 -0.462 -10.934 6.725 401 HD1 TYR 54 2HD TYR 54 2.102 -10.330 4.128 402 HD2 TYR 54 1HD TYR 54 1.356 -11.362 8.188 403 HE1 TYR 54 2HE TYR 54 4.489 -10.031 4.636 404 HE2 TYR 54 1HE TYR 54 3.742 -11.066 8.707 405 HH TYR 54 HH TYR 54 5.694 -9.692 7.669 406 H LYS 55 H LYS 55 -1.417 -13.759 3.404 407 HA LYS 55 HA LYS 55 -3.988 -12.523 3.591 408 HB2 LYS 55 1HB LYS 55 -4.641 -13.947 1.826 409 HB3 LYS 55 2HB LYS 55 -2.948 -13.582 1.521 410 HG2 LYS 55 1HG LYS 55 -2.403 -15.766 2.668 411 HG3 LYS 55 2HG LYS 55 -4.130 -16.125 2.597 412 HD2 LYS 55 1HD LYS 55 -4.121 -16.388 0.327 413 HD3 LYS 55 2HD LYS 55 -2.789 -15.254 0.092 414 HE2 LYS 55 1HE LYS 55 -1.987 -17.443 -0.425 415 HE3 LYS 55 2HE LYS 55 -1.266 -16.953 1.108 416 HZ1 LYS 55 1HZ LYS 55 -1.969 -19.153 1.406 417 HZ2 LYS 55 2HZ LYS 55 -3.463 -18.885 0.660 418 HZ3 LYS 55 3HZ LYS 55 -3.147 -18.221 2.184 419 H ASP 56 H ASP 56 -2.553 -15.504 4.786 420 HA ASP 56 HA ASP 56 -5.084 -16.135 6.151 421 HB2 ASP 56 1HB ASP 56 -4.163 -17.870 4.597 422 HB3 ASP 56 2HB ASP 56 -2.750 -17.990 5.643 423 H HIS 57 H HIS 57 -2.972 -14.205 6.982 424 HA HIS 57 HA HIS 57 -1.513 -15.312 9.148 425 HB2 HIS 57 1HB HIS 57 -1.378 -12.968 7.815 426 HB3 HIS 57 2HB HIS 57 -2.237 -12.441 9.259 427 HD1 HIS 57 1HD HIS 57 -0.928 -12.373 11.456 428 HD2 HIS 57 2HD HIS 57 1.279 -13.824 8.249 429 HE1 HIS 57 1HE HIS 57 1.455 -12.440 12.255 430 HE2 HIS 57 2HE HIS 57 2.783 -13.240 10.270 431 H GLU 58 H GLU 58 -1.897 -13.879 11.358 432 HA GLU 58 HA GLU 58 -4.582 -14.698 12.216 433 HB2 GLU 58 1HB GLU 58 -3.733 -14.924 14.408 434 HB3 GLU 58 2HB GLU 58 -2.500 -15.608 13.359 435 HG2 GLU 58 1HG GLU 58 -1.288 -13.436 13.484 436 HG3 GLU 58 2HG GLU 58 -2.467 -12.911 14.685 437 H ASN 59 H ASN 59 -2.251 -12.039 12.604 438 HA ASN 59 HA ASN 59 -4.521 -10.262 13.217 439 HB2 ASN 59 1HB ASN 59 -3.049 -8.911 14.564 440 HB3 ASN 59 2HB ASN 59 -2.896 -10.584 15.092 441 HD21 ASN 59 1HD2 ASN 59 -0.973 -11.616 14.896 442 HD22 ASN 59 2HD2 ASN 59 0.475 -10.854 14.339 443 H ILE 60 H ILE 60 -1.651 -10.774 11.316 444 HA ILE 60 HA ILE 60 -1.668 -8.134 10.153 445 HB ILE 60 HB ILE 60 -0.161 -10.584 9.232 446 HG12 ILE 60 1HG1 ILE 60 0.762 -8.345 11.047 447 HG13 ILE 60 2HG1 ILE 60 0.335 -9.964 11.587 448 HG21 ILE 60 1HG2 ILE 60 -0.005 -9.135 7.459 449 HG22 ILE 60 2HG2 ILE 60 -0.116 -7.702 8.479 450 HG23 ILE 60 3HG2 ILE 60 1.383 -8.628 8.420 451 HD11 ILE 60 1HD1 ILE 60 2.631 -10.057 11.465 452 HD12 ILE 60 2HD1 ILE 60 2.148 -10.728 9.908 453 HD13 ILE 60 3HD1 ILE 60 2.700 -9.057 10.015 454 H VAL 61 H VAL 61 -3.122 -7.544 8.696 455 HA VAL 61 HA VAL 61 -3.938 -9.496 6.648 456 HB VAL 61 HB VAL 61 -5.667 -7.771 8.364 457 HG11 VAL 61 1HG1 VAL 61 -6.365 -6.855 6.351 458 HG12 VAL 61 2HG1 VAL 61 -6.112 -8.358 5.463 459 HG13 VAL 61 3HG1 VAL 61 -7.479 -8.205 6.567 460 HG21 VAL 61 1HG2 VAL 61 -6.175 -10.477 7.143 461 HG22 VAL 61 2HG2 VAL 61 -5.368 -10.243 8.694 462 HG23 VAL 61 3HG2 VAL 61 -7.037 -9.716 8.480 463 H ILE 62 H ILE 62 -3.173 -8.798 4.769 464 HA ILE 62 HA ILE 62 -2.658 -5.993 4.302 465 HB ILE 62 HB ILE 62 -2.325 -8.350 2.442 466 HG12 ILE 62 1HG1 ILE 62 -0.926 -8.454 4.494 467 HG13 ILE 62 2HG1 ILE 62 0.028 -8.269 3.027 468 HG21 ILE 62 1HG2 ILE 62 -0.750 -5.895 2.048 469 HG22 ILE 62 2HG2 ILE 62 -1.498 -6.969 0.867 470 HG23 ILE 62 3HG2 ILE 62 -2.474 -5.759 1.701 471 HD11 ILE 62 1HD1 ILE 62 -0.560 -5.683 4.032 472 HD12 ILE 62 2HD1 ILE 62 0.051 -6.676 5.356 473 HD13 ILE 62 3HD1 ILE 62 1.003 -6.486 3.884 474 H ALA 63 H ALA 63 -3.755 -4.637 2.969 475 HA ALA 63 HA ALA 63 -5.917 -5.672 1.310 476 HB1 ALA 63 1HB ALA 63 -7.144 -3.502 2.478 477 HB2 ALA 63 2HB ALA 63 -7.469 -5.198 2.840 478 HB3 ALA 63 3HB ALA 63 -6.332 -4.287 3.833 479 H LYS 64 H LYS 64 -6.546 -4.280 -0.360 480 HA LYS 64 HA LYS 64 -4.866 -1.883 -0.696 481 HB2 LYS 64 1HB LYS 64 -4.632 -2.349 -3.032 482 HB3 LYS 64 2HB LYS 64 -4.186 -3.806 -2.153 483 HG2 LYS 64 1HG LYS 64 -6.245 -4.863 -2.698 484 HG3 LYS 64 2HG LYS 64 -6.911 -3.362 -3.345 485 HD2 LYS 64 1HD LYS 64 -5.153 -3.396 -5.096 486 HD3 LYS 64 2HD LYS 64 -4.618 -4.962 -4.482 487 HE2 LYS 64 1HE LYS 64 -7.123 -5.621 -4.821 488 HE3 LYS 64 2HE LYS 64 -7.138 -4.240 -5.917 489 HZ1 LYS 64 1HZ LYS 64 -5.992 -5.362 -7.444 490 HZ2 LYS 64 2HZ LYS 64 -6.373 -6.756 -6.566 491 HZ3 LYS 64 3HZ LYS 64 -4.890 -5.980 -6.319 492 H MET 65 H MET 65 -5.843 -0.053 -1.429 493 HA MET 65 HA MET 65 -8.626 -0.209 -2.325 494 HB2 MET 65 1HB MET 65 -8.498 0.244 0.172 495 HB3 MET 65 2HB MET 65 -7.752 1.783 -0.235 496 HG2 MET 65 1HG MET 65 -9.717 2.494 -1.406 497 HG3 MET 65 2HG MET 65 -10.457 0.907 -1.213 498 HE1 MET 65 1HE MET 65 -10.435 4.512 1.198 499 HE2 MET 65 2HE MET 65 -10.492 4.139 -0.525 500 HE3 MET 65 3HE MET 65 -11.960 4.037 0.448 501 H ASP 66 H ASP 66 -9.110 1.188 -3.924 502 HA ASP 66 HA ASP 66 -6.962 2.808 -4.993 503 HB2 ASP 66 1HB ASP 66 -8.411 1.394 -6.452 504 HB3 ASP 66 2HB ASP 66 -9.771 2.439 -6.051 505 H SER 67 H SER 67 -6.686 4.598 -3.739 506 HA SER 67 HA SER 67 -8.673 6.115 -2.514 507 HB2 SER 67 1HB SER 67 -6.038 6.195 -2.351 508 HB3 SER 67 2HB SER 67 -6.217 7.472 -3.554 509 HG SER 67 HG SER 67 -7.844 7.548 -1.282 510 H THR 68 H THR 68 -7.673 5.996 -5.815 511 HA THR 68 HA THR 68 -8.830 8.537 -6.541 512 HB THR 68 HB THR 68 -8.089 8.148 -8.714 513 HG1 THR 68 1HG THR 68 -9.096 6.166 -9.112 514 HG21 THR 68 1HG2 THR 68 -5.836 7.569 -8.517 515 HG22 THR 68 2HG2 THR 68 -6.159 6.348 -7.286 516 HG23 THR 68 3HG2 THR 68 -6.272 8.061 -6.880 517 H ALA 69 H ALA 69 -9.909 5.290 -6.204 518 HA ALA 69 HA ALA 69 -12.339 5.841 -7.759 519 HB1 ALA 69 1HB ALA 69 -10.727 3.529 -7.447 520 HB2 ALA 69 2HB ALA 69 -12.318 3.179 -6.770 521 HB3 ALA 69 3HB ALA 69 -12.172 3.737 -8.437 522 H ASN 70 H ASN 70 -11.152 5.506 -4.553 523 HA ASN 70 HA ASN 70 -13.880 5.827 -3.527 524 HB2 ASN 70 1HB ASN 70 -11.854 4.025 -2.196 525 HB3 ASN 70 2HB ASN 70 -13.550 4.232 -1.770 526 HD21 ASN 70 1HD2 ASN 70 -11.292 2.689 -3.856 527 HD22 ASN 70 2HD2 ASN 70 -12.417 1.657 -4.667 528 H GLU 71 H GLU 71 -14.078 7.325 -1.955 529 HA GLU 71 HA GLU 71 -11.599 8.430 -0.808 530 HB2 GLU 71 1HB GLU 71 -13.008 9.798 -2.585 531 HB3 GLU 71 2HB GLU 71 -13.997 10.166 -1.179 532 HG2 GLU 71 1HG GLU 71 -12.368 11.908 -1.541 533 HG3 GLU 71 2HG GLU 71 -12.032 11.061 -0.032 534 H VAL 72 H VAL 72 -11.545 8.717 1.349 535 HA VAL 72 HA VAL 72 -14.043 8.590 2.873 536 HB VAL 72 HB VAL 72 -12.948 7.040 4.516 537 HG11 VAL 72 1HG1 VAL 72 -13.395 5.967 1.732 538 HG12 VAL 72 2HG1 VAL 72 -13.408 5.013 3.217 539 HG13 VAL 72 3HG1 VAL 72 -14.638 6.249 2.950 540 HG21 VAL 72 1HG2 VAL 72 -11.153 5.579 3.203 541 HG22 VAL 72 2HG2 VAL 72 -10.837 7.135 2.435 542 HG23 VAL 72 3HG2 VAL 72 -10.698 6.972 4.185 543 H GLU 73 H GLU 73 -14.024 9.718 4.788 544 HA GLU 73 HA GLU 73 -12.025 11.738 5.060 545 HB2 GLU 73 1HB GLU 73 -13.340 12.522 6.948 546 HB3 GLU 73 2HB GLU 73 -14.394 12.147 5.592 547 HG2 GLU 73 1HG GLU 73 -15.329 10.340 6.634 548 HG3 GLU 73 2HG GLU 73 -13.913 10.049 7.642 549 H ALA 74 H ALA 74 -12.593 8.633 6.497 550 HA ALA 74 HA ALA 74 -11.144 8.887 8.874 551 HB1 ALA 74 1HB ALA 74 -12.325 6.770 7.356 552 HB2 ALA 74 2HB ALA 74 -10.729 6.274 7.920 553 HB3 ALA 74 3HB ALA 74 -11.940 6.827 9.076 554 H VAL 75 H VAL 75 -10.065 9.013 5.670 555 HA VAL 75 HA VAL 75 -7.310 9.146 6.538 556 HB VAL 75 HB VAL 75 -8.238 7.006 4.628 557 HG11 VAL 75 1HG1 VAL 75 -5.397 7.873 5.147 558 HG12 VAL 75 2HG1 VAL 75 -5.929 6.570 4.083 559 HG13 VAL 75 3HG1 VAL 75 -6.314 8.245 3.688 560 HG21 VAL 75 1HG2 VAL 75 -8.271 6.063 6.729 561 HG22 VAL 75 2HG2 VAL 75 -6.620 5.707 6.220 562 HG23 VAL 75 3HG2 VAL 75 -6.934 7.055 7.313 563 H LYS 76 H LYS 76 -6.563 10.922 5.606 564 HA LYS 76 HA LYS 76 -7.658 11.748 3.012 565 HB2 LYS 76 1HB LYS 76 -6.348 13.211 5.277 566 HB3 LYS 76 2HB LYS 76 -6.341 13.913 3.665 567 HG2 LYS 76 1HG LYS 76 -8.874 13.006 4.993 568 HG3 LYS 76 2HG LYS 76 -8.204 14.621 5.238 569 HD2 LYS 76 1HD LYS 76 -8.637 15.276 3.084 570 HD3 LYS 76 2HD LYS 76 -8.530 13.633 2.449 571 HE2 LYS 76 1HE LYS 76 -10.682 13.085 3.405 572 HE3 LYS 76 2HE LYS 76 -10.776 14.667 4.176 573 HZ1 LYS 76 1HZ LYS 76 -10.673 15.627 1.882 574 HZ2 LYS 76 2HZ LYS 76 -12.087 14.767 2.233 575 HZ3 LYS 76 3HZ LYS 76 -10.882 14.061 1.277 576 H VAL 77 H VAL 77 -6.510 10.955 1.365 577 HA VAL 77 HA VAL 77 -3.581 10.871 1.583 578 HB VAL 77 HB VAL 77 -5.204 9.586 -0.601 579 HG11 VAL 77 1HG1 VAL 77 -3.028 8.026 -0.154 580 HG12 VAL 77 2HG1 VAL 77 -3.100 9.321 -1.350 581 HG13 VAL 77 3HG1 VAL 77 -2.390 9.622 0.236 582 HG21 VAL 77 1HG2 VAL 77 -4.899 8.771 2.210 583 HG22 VAL 77 2HG2 VAL 77 -6.136 8.339 1.030 584 HG23 VAL 77 3HG2 VAL 77 -4.578 7.512 1.017 585 H HIS 78 H HIS 78 -2.384 12.288 0.499 586 HA HIS 78 HA HIS 78 -3.623 13.738 -1.749 587 HB2 HIS 78 1HB HIS 78 -1.557 14.825 0.174 588 HB3 HIS 78 2HB HIS 78 -2.355 15.711 -1.121 589 HD1 HIS 78 1HD HIS 78 -5.149 15.674 -0.774 590 HD2 HIS 78 2HD HIS 78 -2.710 15.280 2.566 591 HE1 HIS 78 1HE HIS 78 -6.594 16.289 1.190 592 HE2 HIS 78 2HE HIS 78 -5.073 16.125 3.191 593 H SER 79 H SER 79 -1.934 11.278 -1.666 594 HA SER 79 HA SER 79 -0.283 11.873 -3.887 595 HB2 SER 79 1HB SER 79 0.990 12.708 -1.715 596 HB3 SER 79 2HB SER 79 1.401 10.998 -1.580 597 HG SER 79 HG SER 79 2.460 11.092 -3.494 598 H PHE 80 H PHE 80 1.136 9.932 -4.448 599 HA PHE 80 HA PHE 80 0.457 7.413 -3.261 600 HB2 PHE 80 1HB PHE 80 -0.461 7.767 -6.107 601 HB3 PHE 80 2HB PHE 80 -0.832 6.457 -4.990 602 HD1 PHE 80 1HD PHE 80 -2.450 6.799 -3.172 603 HD2 PHE 80 2HD PHE 80 -1.724 9.782 -6.121 604 HE1 PHE 80 1HE PHE 80 -4.539 7.933 -2.535 605 HE2 PHE 80 2HE PHE 80 -3.811 10.921 -5.488 606 HZ PHE 80 HZ PHE 80 -5.222 9.997 -3.693 607 HA PRO 81 HA PRO 81 0.460 5.226 -4.119 608 HB2 PRO 81 1HB PRO 81 2.210 3.405 -3.122 609 HB3 PRO 81 2HB PRO 81 1.698 3.419 -4.814 610 HG2 PRO 81 1HG PRO 81 4.205 4.498 -3.585 611 HG3 PRO 81 2HG PRO 81 4.002 3.576 -5.086 612 HD2 PRO 81 1HD PRO 81 4.312 6.266 -5.058 613 HD3 PRO 81 2HD PRO 81 3.334 5.430 -6.281 614 H THR 82 H THR 82 -0.301 5.015 -2.050 615 HA THR 82 HA THR 82 1.376 6.105 0.114 616 HB THR 82 HB THR 82 -1.551 6.634 -0.403 617 HG1 THR 82 1HG THR 82 -0.477 8.860 0.029 618 HG21 THR 82 1HG2 THR 82 -1.152 6.116 1.989 619 HG22 THR 82 2HG2 THR 82 -1.634 7.791 1.721 620 HG23 THR 82 3HG2 THR 82 0.056 7.399 2.036 621 H LEU 83 H LEU 83 1.611 4.794 1.803 622 HA LEU 83 HA LEU 83 -0.298 2.572 2.117 623 HB2 LEU 83 1HB LEU 83 2.532 2.579 3.121 624 HB3 LEU 83 2HB LEU 83 1.444 1.206 2.928 625 HG LEU 83 HG LEU 83 2.618 2.784 0.641 626 HD11 LEU 83 1HD1 LEU 83 3.975 0.672 0.327 627 HD12 LEU 83 2HD1 LEU 83 3.515 0.244 1.975 628 HD13 LEU 83 3HD1 LEU 83 4.446 1.711 1.672 629 HD21 LEU 83 1HD2 LEU 83 1.936 0.419 -0.395 630 HD22 LEU 83 2HD2 LEU 83 0.834 1.795 -0.345 631 HD23 LEU 83 3HD2 LEU 83 0.719 0.528 0.877 632 H LYS 84 H LYS 84 -1.155 2.153 4.106 633 HA LYS 84 HA LYS 84 -0.252 3.753 6.387 634 HB2 LYS 84 1HB LYS 84 -3.155 3.536 5.574 635 HB3 LYS 84 2HB LYS 84 -2.517 4.419 6.954 636 HG2 LYS 84 1HG LYS 84 -1.134 5.639 5.046 637 HG3 LYS 84 2HG LYS 84 -2.520 5.128 4.079 638 HD2 LYS 84 1HD LYS 84 -4.028 6.226 5.664 639 HD3 LYS 84 2HD LYS 84 -2.643 6.731 6.635 640 HE2 LYS 84 1HE LYS 84 -3.112 7.510 3.760 641 HE3 LYS 84 2HE LYS 84 -3.508 8.517 5.152 642 HZ1 LYS 84 1HZ LYS 84 -1.403 9.158 5.349 643 HZ2 LYS 84 2HZ LYS 84 -1.131 8.484 3.821 644 HZ3 LYS 84 3HZ LYS 84 -0.806 7.580 5.213 645 H PHE 85 H PHE 85 0.039 2.492 8.094 646 HA PHE 85 HA PHE 85 -1.138 -0.176 8.112 647 HB2 PHE 85 1HB PHE 85 1.214 -0.138 8.551 648 HB3 PHE 85 2HB PHE 85 1.028 1.117 9.771 649 HD1 PHE 85 1HD PHE 85 0.187 0.589 11.983 650 HD2 PHE 85 2HD PHE 85 0.709 -2.440 9.040 651 HE1 PHE 85 1HE PHE 85 0.005 -1.134 13.730 652 HE2 PHE 85 2HE PHE 85 0.527 -4.169 10.782 653 HZ PHE 85 HZ PHE 85 0.174 -3.517 13.130 654 H PHE 86 H PHE 86 -2.780 -0.758 9.380 655 HA PHE 86 HA PHE 86 -3.725 1.176 11.382 656 HB2 PHE 86 1HB PHE 86 -5.254 -1.056 10.029 657 HB3 PHE 86 2HB PHE 86 -5.924 0.135 11.138 658 HD1 PHE 86 1HD PHE 86 -3.876 2.226 9.677 659 HD2 PHE 86 2HD PHE 86 -7.117 -0.276 8.515 660 HE1 PHE 86 1HE PHE 86 -4.348 3.723 7.783 661 HE2 PHE 86 2HE PHE 86 -7.594 1.217 6.618 662 HZ PHE 86 HZ PHE 86 -6.208 3.219 6.250 663 HA PRO 87 HA PRO 87 -2.246 -1.877 14.315 664 HB2 PRO 87 1HB PRO 87 -2.715 -0.345 16.507 665 HB3 PRO 87 2HB PRO 87 -1.306 -0.122 15.462 666 HG2 PRO 87 1HG PRO 87 -3.886 1.396 15.514 667 HG3 PRO 87 2HG PRO 87 -2.229 2.010 15.359 668 HD2 PRO 87 1HD PRO 87 -3.881 1.722 13.233 669 HD3 PRO 87 2HD PRO 87 -2.122 1.515 13.111 670 H ALA 88 H ALA 88 -3.184 -3.003 16.164 671 HA ALA 88 HA ALA 88 -5.987 -3.515 15.765 672 HB1 ALA 88 1HB ALA 88 -5.714 -5.371 17.178 673 HB2 ALA 88 2HB ALA 88 -4.196 -5.247 16.287 674 HB3 ALA 88 3HB ALA 88 -4.290 -4.678 17.954 675 H SER 89 H SER 89 -5.982 -0.972 16.478 676 HA SER 89 HA SER 89 -6.549 -0.872 19.360 677 HB2 SER 89 1HB SER 89 -5.653 1.147 17.358 678 HB3 SER 89 2HB SER 89 -6.656 1.707 18.696 679 HG SER 89 HG SER 89 -5.130 0.846 20.130 680 H ALA 90 H ALA 90 -8.589 -0.872 20.010 681 HA ALA 90 HA ALA 90 -10.819 -1.210 18.516 682 HB1 ALA 90 1HB ALA 90 -11.841 0.291 20.556 683 HB2 ALA 90 2HB ALA 90 -11.465 -1.430 20.648 684 HB3 ALA 90 3HB ALA 90 -10.298 -0.241 21.224 685 H ASP 91 H ASP 91 -9.056 1.734 18.909 686 HA ASP 91 HA ASP 91 -11.201 3.398 17.884 687 HB2 ASP 91 1HB ASP 91 -8.320 4.070 18.522 688 HB3 ASP 91 2HB ASP 91 -9.568 5.236 18.089 689 H ARG 92 H ARG 92 -10.258 5.088 16.150 690 HA ARG 92 HA ARG 92 -9.500 3.423 13.862 691 HB2 ARG 92 1HB ARG 92 -10.406 5.156 12.464 692 HB3 ARG 92 2HB ARG 92 -11.570 4.810 13.737 693 HG2 ARG 92 1HG ARG 92 -10.295 6.806 14.927 694 HG3 ARG 92 2HG ARG 92 -9.949 7.241 13.252 695 HD2 ARG 92 1HD ARG 92 -12.741 6.511 13.964 696 HD3 ARG 92 2HD ARG 92 -12.132 8.077 14.498 697 HE ARG 92 HE ARG 92 -11.596 7.638 11.740 698 HH11 ARG 92 2HH1 ARG 92 -14.114 8.516 13.979 699 HH12 ARG 92 1HH1 ARG 92 -15.017 9.422 12.811 700 HH21 ARG 92 2HH2 ARG 92 -12.776 8.828 10.193 701 HH22 ARG 92 1HH2 ARG 92 -14.256 9.598 10.657 702 H THR 93 H THR 93 -7.297 3.568 15.089 703 HA THR 93 HA THR 93 -5.832 6.018 14.561 704 HB THR 93 HB THR 93 -4.894 3.397 15.743 705 HG1 THR 93 1HG THR 93 -5.620 4.194 17.560 706 HG21 THR 93 1HG2 THR 93 -3.029 4.994 16.588 707 HG22 THR 93 2HG2 THR 93 -3.518 6.009 15.230 708 HG23 THR 93 3HG2 THR 93 -2.940 4.368 14.942 709 H VAL 94 H VAL 94 -4.209 6.277 13.073 710 HA VAL 94 HA VAL 94 -3.710 4.038 11.227 711 HB VAL 94 HB VAL 94 -4.401 6.882 10.534 712 HG11 VAL 94 1HG1 VAL 94 -3.807 6.152 8.154 713 HG12 VAL 94 2HG1 VAL 94 -2.478 6.578 9.234 714 HG13 VAL 94 3HG1 VAL 94 -2.851 4.883 8.919 715 HG21 VAL 94 1HG2 VAL 94 -6.354 5.969 10.003 716 HG22 VAL 94 2HG2 VAL 94 -5.545 4.973 8.793 717 HG23 VAL 94 3HG2 VAL 94 -5.751 4.370 10.437 718 H ILE 95 H ILE 95 -1.629 3.708 10.689 719 HA ILE 95 HA ILE 95 0.344 5.645 11.702 720 HB ILE 95 HB ILE 95 0.599 2.672 11.251 721 HG12 ILE 95 1HG1 ILE 95 0.656 4.401 13.731 722 HG13 ILE 95 2HG1 ILE 95 -0.563 3.205 13.301 723 HG21 ILE 95 1HG2 ILE 95 2.891 2.954 12.188 724 HG22 ILE 95 2HG2 ILE 95 2.671 3.674 10.594 725 HG23 ILE 95 3HG2 ILE 95 2.687 4.699 12.029 726 HD11 ILE 95 1HD1 ILE 95 0.834 2.268 14.977 727 HD12 ILE 95 2HD1 ILE 95 1.214 1.463 13.454 728 HD13 ILE 95 3HD1 ILE 95 2.293 2.705 14.088 729 H ASP 96 H ASP 96 1.876 6.468 10.375 730 HA ASP 96 HA ASP 96 1.500 6.106 7.531 731 HB2 ASP 96 1HB ASP 96 3.253 7.925 9.178 732 HB3 ASP 96 2HB ASP 96 3.360 7.854 7.421 733 H TYR 97 H TYR 97 2.869 5.129 6.120 734 HA TYR 97 HA TYR 97 5.054 3.566 7.306 735 HB2 TYR 97 1HB TYR 97 3.273 2.312 6.125 736 HB3 TYR 97 2HB TYR 97 3.661 3.185 4.647 737 HD1 TYR 97 1HD TYR 97 5.924 2.859 3.599 738 HD2 TYR 97 2HD TYR 97 4.515 0.411 6.781 739 HE1 TYR 97 1HE TYR 97 7.616 1.165 3.037 740 HE2 TYR 97 2HE TYR 97 6.204 -1.289 6.228 741 HH TYR 97 HH TYR 97 8.828 -0.711 4.286 742 H ASN 98 H ASN 98 6.938 4.603 7.164 743 HA ASN 98 HA ASN 98 7.651 5.824 4.578 744 HB2 ASN 98 1HB ASN 98 8.220 6.778 7.379 745 HB3 ASN 98 2HB ASN 98 9.179 7.319 6.004 746 HD21 ASN 98 1HD2 ASN 98 6.504 7.930 7.872 747 HD22 ASN 98 2HD2 ASN 98 5.689 9.038 6.826 748 H GLY 99 H GLY 99 8.329 3.438 4.366 749 HA2 GLY 99 1HA GLY 99 11.089 3.166 5.389 750 HA3 GLY 99 2HA GLY 99 10.007 1.797 5.181 751 H GLU 100 H GLU 100 11.495 0.760 3.808 752 HA GLU 100 HA GLU 100 12.545 1.967 1.468 753 HB2 GLU 100 1HB GLU 100 13.093 -0.372 0.799 754 HB3 GLU 100 2HB GLU 100 13.660 0.057 2.407 755 HG2 GLU 100 1HG GLU 100 11.363 -1.000 3.133 756 HG3 GLU 100 2HG GLU 100 11.522 -1.834 1.588 757 H ARG 101 H ARG 101 9.628 0.143 2.156 758 HA ARG 101 HA ARG 101 7.677 -0.031 0.981 759 HB2 ARG 101 1HB ARG 101 8.435 2.327 0.160 760 HB3 ARG 101 2HB ARG 101 8.852 1.482 -1.325 761 HG2 ARG 101 1HG ARG 101 6.486 0.620 -1.364 762 HG3 ARG 101 2HG ARG 101 6.144 1.754 -0.055 763 HD2 ARG 101 1HD ARG 101 7.447 2.700 -2.577 764 HD3 ARG 101 2HD ARG 101 5.701 2.460 -2.515 765 HE ARG 101 HE ARG 101 7.228 4.530 -1.188 766 HH11 ARG 101 2HH1 ARG 101 4.207 2.814 -1.402 767 HH12 ARG 101 1HH1 ARG 101 3.290 4.069 -0.639 768 HH21 ARG 101 2HH2 ARG 101 6.031 6.191 -0.182 769 HH22 ARG 101 1HH2 ARG 101 4.328 5.991 0.054 770 H THR 102 H THR 102 9.456 -2.088 0.913 771 HA THR 102 HA THR 102 9.158 -3.099 -1.838 772 HB THR 102 HB THR 102 11.214 -4.427 -1.529 773 HG1 THR 102 1HG THR 102 12.573 -3.580 0.311 774 HG21 THR 102 1HG2 THR 102 12.433 -2.763 -2.405 775 HG22 THR 102 2HG2 THR 102 12.316 -1.794 -0.936 776 HG23 THR 102 3HG2 THR 102 11.022 -1.743 -2.132 777 H LEU 103 H LEU 103 9.214 -5.532 -1.922 778 HA LEU 103 HA LEU 103 7.159 -6.621 -0.404 779 HB2 LEU 103 1HB LEU 103 7.857 -7.543 -2.537 780 HB3 LEU 103 2HB LEU 103 9.403 -8.028 -1.843 781 HG LEU 103 HG LEU 103 8.170 -9.596 -0.352 782 HD11 LEU 103 1HD1 LEU 103 5.793 -10.031 -1.627 783 HD12 LEU 103 2HD1 LEU 103 5.897 -8.271 -1.619 784 HD13 LEU 103 3HD1 LEU 103 5.992 -9.167 -0.103 785 HD21 LEU 103 1HD2 LEU 103 9.199 -10.488 -2.306 786 HD22 LEU 103 2HD2 LEU 103 7.891 -9.904 -3.336 787 HD23 LEU 103 3HD2 LEU 103 7.593 -11.206 -2.182 788 H ASP 104 H ASP 104 10.668 -6.948 0.012 789 HA ASP 104 HA ASP 104 10.405 -8.578 2.362 790 HB2 ASP 104 1HB ASP 104 12.381 -8.399 0.624 791 HB3 ASP 104 2HB ASP 104 12.931 -7.119 1.703 792 H GLY 105 H GLY 105 10.787 -5.174 1.666 793 HA2 GLY 105 1HA GLY 105 11.559 -4.357 4.275 794 HA3 GLY 105 2HA GLY 105 10.879 -3.323 3.027 795 H PHE 106 H PHE 106 8.422 -4.727 2.698 796 HA PHE 106 HA PHE 106 6.842 -3.457 4.619 797 HB2 PHE 106 1HB PHE 106 6.190 -5.780 2.797 798 HB3 PHE 106 2HB PHE 106 4.993 -4.895 3.737 799 HD1 PHE 106 2HD PHE 106 5.776 -2.133 3.426 800 HD2 PHE 106 1HD PHE 106 5.828 -5.296 0.578 801 HE1 PHE 106 2HE PHE 106 5.561 -0.492 1.605 802 HE2 PHE 106 1HE PHE 106 5.614 -3.660 -1.248 803 HZ PHE 106 HZ PHE 106 5.479 -1.255 -0.735 804 H LYS 107 H LYS 107 7.787 -6.871 4.350 805 HA LYS 107 HA LYS 107 6.399 -7.885 6.523 806 HB2 LYS 107 1HB LYS 107 9.185 -8.809 5.881 807 HB3 LYS 107 2HB LYS 107 7.803 -9.760 6.409 808 HG2 LYS 107 1HG LYS 107 6.782 -8.981 4.128 809 HG3 LYS 107 2HG LYS 107 8.476 -8.733 3.698 810 HD2 LYS 107 1HD LYS 107 8.745 -11.153 4.692 811 HD3 LYS 107 2HD LYS 107 7.021 -11.259 4.328 812 HE2 LYS 107 1HE LYS 107 7.866 -11.999 2.344 813 HE3 LYS 107 2HE LYS 107 7.822 -10.269 2.009 814 HZ1 LYS 107 1HZ LYS 107 10.094 -12.028 2.344 815 HZ2 LYS 107 2HZ LYS 107 10.237 -10.537 3.129 816 HZ3 LYS 107 3HZ LYS 107 9.957 -10.591 1.461 817 H LYS 108 H LYS 108 9.593 -6.356 6.435 818 HA LYS 108 HA LYS 108 10.362 -6.763 9.071 819 HB2 LYS 108 1HB LYS 108 10.898 -4.266 7.458 820 HB3 LYS 108 2HB LYS 108 11.860 -4.890 8.792 821 HG2 LYS 108 1HG LYS 108 12.008 -7.005 7.201 822 HG3 LYS 108 2HG LYS 108 11.726 -5.774 5.967 823 HD2 LYS 108 1HD LYS 108 13.811 -5.357 8.075 824 HD3 LYS 108 2HD LYS 108 14.161 -6.350 6.658 825 HE2 LYS 108 1HE LYS 108 13.276 -4.351 5.303 826 HE3 LYS 108 2HE LYS 108 13.476 -3.432 6.794 827 HZ1 LYS 108 1HZ LYS 108 15.395 -3.496 5.111 828 HZ2 LYS 108 2HZ LYS 108 15.701 -5.042 5.724 829 HZ3 LYS 108 3HZ LYS 108 15.757 -3.699 6.751 830 H PHE 109 H PHE 109 8.482 -4.080 7.693 831 HA PHE 109 HA PHE 109 8.153 -2.663 10.105 832 HB2 PHE 109 1HB PHE 109 7.765 -1.651 7.898 833 HB3 PHE 109 2HB PHE 109 6.371 -2.699 7.660 834 HD1 PHE 109 2HD PHE 109 7.682 0.199 9.473 835 HD2 PHE 109 1HD PHE 109 4.287 -2.271 8.775 836 HE1 PHE 109 2HE PHE 109 6.243 1.879 10.551 837 HE2 PHE 109 1HE PHE 109 2.842 -0.595 9.850 838 HZ PHE 109 HZ PHE 109 3.820 1.483 10.741 839 H LEU 110 H LEU 110 6.043 -4.997 8.453 840 HA LEU 110 HA LEU 110 3.943 -4.931 10.315 841 HB2 LEU 110 1HB LEU 110 4.846 -7.155 8.493 842 HB3 LEU 110 2HB LEU 110 3.317 -7.134 9.370 843 HG LEU 110 HG LEU 110 4.070 -5.037 7.344 844 HD11 LEU 110 1HD1 LEU 110 2.941 -7.760 6.979 845 HD12 LEU 110 2HD1 LEU 110 4.005 -6.824 5.930 846 HD13 LEU 110 3HD1 LEU 110 2.285 -6.445 6.005 847 HD21 LEU 110 1HD2 LEU 110 1.382 -5.202 7.360 848 HD22 LEU 110 2HD2 LEU 110 2.303 -4.098 8.382 849 HD23 LEU 110 3HD2 LEU 110 1.731 -5.634 9.034 850 H GLU 111 H GLU 111 6.370 -7.519 9.911 851 HA GLU 111 HA GLU 111 5.916 -9.086 12.033 852 HB2 GLU 111 1HB GLU 111 8.567 -8.091 11.004 853 HB3 GLU 111 2HB GLU 111 8.453 -9.315 12.261 854 HG2 GLU 111 1HG GLU 111 6.853 -10.455 10.487 855 HG3 GLU 111 2HG GLU 111 7.820 -9.492 9.372 856 H SER 112 H SER 112 7.357 -5.882 12.178 857 HA SER 112 HA SER 112 8.056 -5.989 14.933 858 HB2 SER 112 1HB SER 112 7.561 -3.575 13.173 859 HB3 SER 112 2HB SER 112 8.375 -3.562 14.738 860 HG SER 112 HG SER 112 9.238 -4.789 12.334 861 H GLY 113 H GLY 113 5.279 -4.664 13.164 862 HA2 GLY 113 1HA GLY 113 3.073 -4.935 14.177 863 HA3 GLY 113 2HA GLY 113 3.821 -4.594 15.731 864 H GLY 114 H GLY 114 4.553 -2.810 12.801 865 HA2 GLY 114 1HA GLY 114 3.992 -0.667 12.142 866 HA3 GLY 114 2HA GLY 114 2.723 -0.670 13.358 867 H GLN 115 H GLN 115 6.247 -1.047 13.654 868 HA GLN 115 HA GLN 115 6.293 0.785 15.873 869 HB2 GLN 115 1HB GLN 115 8.367 -0.859 14.455 870 HB3 GLN 115 2HB GLN 115 8.840 0.367 15.623 871 HG2 GLN 115 1HG GLN 115 7.087 -0.879 17.137 872 HG3 GLN 115 2HG GLN 115 7.435 -2.215 16.042 873 HE21 GLN 115 1HE2 GLN 115 8.885 -3.539 16.840 874 HE22 GLN 115 2HE2 GLN 115 10.259 -3.102 17.792 875 H SER 116 H SER 116 5.667 2.774 15.012 876 HA SER 116 HA SER 116 7.204 3.928 12.837 877 HB2 SER 116 1HB SER 116 5.672 5.879 13.146 878 HB3 SER 116 2HB SER 116 4.823 4.364 12.846 879 HG SER 116 HG SER 116 4.243 5.910 14.734 880 H GLY 117 H GLY 117 8.769 5.438 13.021 881 HA2 GLY 117 1HA GLY 117 10.520 6.516 14.074 882 HA3 GLY 117 2HA GLY 117 9.210 7.336 14.910 883 HA PRO 118 HA PRO 118 11.736 5.394 18.202 884 HB2 PRO 118 1HB PRO 118 11.307 7.388 19.994 885 HB3 PRO 118 2HB PRO 118 12.572 7.460 18.762 886 HG2 PRO 118 1HG PRO 118 9.851 8.707 18.759 887 HG3 PRO 118 2HG PRO 118 11.402 9.405 18.256 888 HD2 PRO 118 1HD PRO 118 9.596 8.439 16.484 889 HD3 PRO 118 2HD PRO 118 11.347 8.364 16.201 890 H SER 119 H SER 119 8.525 5.829 17.621 891 HA SER 119 HA SER 119 7.623 5.090 20.301 892 HB2 SER 119 1HB SER 119 6.454 6.844 18.829 893 HB3 SER 119 2HB SER 119 5.857 5.478 17.888 894 HG SER 119 HG SER 119 5.280 4.752 20.237 895 H SER 120 H SER 120 6.334 3.229 20.676 896 HA SER 120 HA SER 120 6.687 1.098 18.670 897 HB2 SER 120 1HB SER 120 6.721 0.743 21.676 898 HB3 SER 120 2HB SER 120 7.019 -0.501 20.463 899 HG SER 120 HG SER 120 9.021 0.102 20.879 900 H GLY 121 H GLY 121 4.640 1.277 17.790 901 HA2 GLY 121 1HA GLY 121 2.316 1.258 17.732 902 HA3 GLY 121 2HA GLY 121 2.591 -0.247 18.596 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -17.948 -14.415 5.240 2 HA2 GLY 1 1HA GLY 1 -17.088 -16.289 6.710 3 HA3 GLY 1 2HA GLY 1 -17.698 -17.350 5.449 4 H SER 2 H SER 2 -16.738 -17.133 3.294 5 HA SER 2 HA SER 2 -13.908 -17.116 3.443 6 HB2 SER 2 1HB SER 2 -14.024 -17.406 0.959 7 HB3 SER 2 2HB SER 2 -15.013 -18.562 1.852 8 HG SER 2 HG SER 2 -16.247 -17.750 0.189 9 H SER 3 H SER 3 -12.970 -15.208 3.940 10 HA SER 3 HA SER 3 -13.750 -12.659 3.316 11 HB2 SER 3 1HB SER 3 -11.937 -12.935 4.828 12 HB3 SER 3 2HB SER 3 -10.981 -13.817 3.637 13 HG SER 3 HG SER 3 -10.171 -11.945 3.165 14 H GLY 4 H GLY 4 -11.440 -14.624 1.431 15 HA2 GLY 4 1HA GLY 4 -12.448 -13.482 -1.033 16 HA3 GLY 4 2HA GLY 4 -10.807 -13.004 -0.626 17 H SER 5 H SER 5 -12.812 -15.455 -1.920 18 HA SER 5 HA SER 5 -11.216 -17.723 -1.665 19 HB2 SER 5 1HB SER 5 -13.222 -16.844 -3.724 20 HB3 SER 5 2HB SER 5 -12.333 -18.354 -3.928 21 HG SER 5 HG SER 5 -14.309 -17.682 -2.099 22 H SER 6 H SER 6 -9.232 -18.137 -2.345 23 HA SER 6 HA SER 6 -7.254 -18.003 -3.465 24 HB2 SER 6 1HB SER 6 -9.323 -17.841 -5.612 25 HB3 SER 6 2HB SER 6 -7.641 -17.544 -6.050 26 HG SER 6 HG SER 6 -7.665 -19.663 -6.195 27 H GLY 7 H GLY 7 -7.960 -15.669 -2.127 28 HA2 GLY 7 1HA GLY 7 -6.956 -13.583 -3.965 29 HA3 GLY 7 2HA GLY 7 -8.074 -13.255 -2.649 30 HA PRO 8 HA PRO 8 -3.424 -13.670 -1.236 31 HB2 PRO 8 1HB PRO 8 -2.007 -11.791 -2.589 32 HB3 PRO 8 2HB PRO 8 -2.138 -13.469 -3.129 33 HG2 PRO 8 1HG PRO 8 -3.649 -11.057 -4.058 34 HG3 PRO 8 2HG PRO 8 -2.943 -12.372 -5.015 35 HD2 PRO 8 1HD PRO 8 -5.582 -12.257 -4.421 36 HD3 PRO 8 2HD PRO 8 -4.709 -13.793 -4.599 37 H VAL 9 H VAL 9 -4.597 -10.538 -2.492 38 HA VAL 9 HA VAL 9 -4.269 -9.435 0.223 39 HB VAL 9 HB VAL 9 -2.753 -8.188 -0.995 40 HG11 VAL 9 1HG1 VAL 9 -4.668 -8.048 -3.320 41 HG12 VAL 9 2HG1 VAL 9 -2.990 -7.500 -3.285 42 HG13 VAL 9 3HG1 VAL 9 -3.360 -9.222 -3.174 43 HG21 VAL 9 1HG2 VAL 9 -3.537 -6.074 -0.798 44 HG22 VAL 9 2HG2 VAL 9 -4.984 -6.402 -1.751 45 HG23 VAL 9 3HG2 VAL 9 -4.911 -6.897 -0.060 46 H LYS 10 H LYS 10 -5.940 -8.325 1.124 47 HA LYS 10 HA LYS 10 -8.550 -8.755 0.062 48 HB2 LYS 10 1HB LYS 10 -7.616 -8.405 2.559 49 HB3 LYS 10 2HB LYS 10 -8.163 -6.767 2.231 50 HG2 LYS 10 1HG LYS 10 -10.021 -8.998 1.618 51 HG3 LYS 10 2HG LYS 10 -9.746 -8.582 3.311 52 HD2 LYS 10 1HD LYS 10 -10.277 -6.200 2.703 53 HD3 LYS 10 2HD LYS 10 -10.775 -6.790 1.116 54 HE2 LYS 10 1HE LYS 10 -11.922 -7.890 3.666 55 HE3 LYS 10 2HE LYS 10 -12.597 -6.469 2.873 56 HZ1 LYS 10 1HZ LYS 10 -13.559 -8.772 2.327 57 HZ2 LYS 10 2HZ LYS 10 -12.186 -8.963 1.359 58 HZ3 LYS 10 3HZ LYS 10 -13.266 -7.698 1.053 59 H VAL 11 H VAL 11 -10.067 -7.228 -0.646 60 HA VAL 11 HA VAL 11 -8.878 -4.732 -1.664 61 HB VAL 11 HB VAL 11 -11.257 -6.249 -2.744 62 HG11 VAL 11 1HG1 VAL 11 -11.708 -4.076 -3.350 63 HG12 VAL 11 2HG1 VAL 11 -10.002 -3.633 -3.439 64 HG13 VAL 11 3HG1 VAL 11 -10.728 -4.611 -4.715 65 HG21 VAL 11 1HG2 VAL 11 -8.987 -5.934 -4.515 66 HG22 VAL 11 2HG2 VAL 11 -8.559 -6.820 -3.051 67 HG23 VAL 11 3HG2 VAL 11 -9.878 -7.390 -4.073 68 H LEU 12 H LEU 12 -9.395 -3.114 -0.330 69 HA LEU 12 HA LEU 12 -11.956 -3.079 1.040 70 HB2 LEU 12 1HB LEU 12 -9.779 -1.004 1.133 71 HB3 LEU 12 2HB LEU 12 -11.099 -1.228 2.279 72 HG LEU 12 HG LEU 12 -9.010 -3.346 1.883 73 HD11 LEU 12 1HD1 LEU 12 -8.140 -2.182 4.106 74 HD12 LEU 12 2HD1 LEU 12 -8.771 -0.750 3.294 75 HD13 LEU 12 3HD1 LEU 12 -7.536 -1.735 2.510 76 HD21 LEU 12 1HD2 LEU 12 -10.616 -2.625 4.323 77 HD22 LEU 12 2HD2 LEU 12 -9.704 -4.103 4.013 78 HD23 LEU 12 3HD2 LEU 12 -11.180 -3.770 3.105 79 H VAL 13 H VAL 13 -13.515 -1.467 0.818 80 HA VAL 13 HA VAL 13 -13.240 0.265 -1.550 81 HB VAL 13 HB VAL 13 -15.742 -0.030 -1.847 82 HG11 VAL 13 1HG1 VAL 13 -15.495 -2.099 -3.120 83 HG12 VAL 13 2HG1 VAL 13 -14.095 -1.047 -3.342 84 HG13 VAL 13 3HG1 VAL 13 -13.988 -2.447 -2.273 85 HG21 VAL 13 1HG2 VAL 13 -15.529 -1.418 0.537 86 HG22 VAL 13 2HG2 VAL 13 -16.929 -1.390 -0.535 87 HG23 VAL 13 3HG2 VAL 13 -15.739 -2.684 -0.673 88 H GLY 14 H GLY 14 -14.698 2.150 -1.533 89 HA2 GLY 14 1HA GLY 14 -14.518 3.553 0.919 90 HA3 GLY 14 2HA GLY 14 -15.374 4.096 -0.516 91 H LYS 15 H LYS 15 -16.642 1.166 0.085 92 HA LYS 15 HA LYS 15 -18.974 2.324 1.380 93 HB2 LYS 15 1HB LYS 15 -19.111 0.836 -0.662 94 HB3 LYS 15 2HB LYS 15 -18.631 -0.502 0.374 95 HG2 LYS 15 1HG LYS 15 -20.622 -0.449 1.576 96 HG3 LYS 15 2HG LYS 15 -21.007 1.191 1.046 97 HD2 LYS 15 1HD LYS 15 -20.852 -1.134 -0.858 98 HD3 LYS 15 2HD LYS 15 -22.340 -0.692 -0.017 99 HE2 LYS 15 1HE LYS 15 -20.829 1.394 -1.526 100 HE3 LYS 15 2HE LYS 15 -21.831 0.244 -2.410 101 HZ1 LYS 15 1HZ LYS 15 -23.723 1.143 -1.615 102 HZ2 LYS 15 2HZ LYS 15 -22.761 2.523 -1.441 103 HZ3 LYS 15 3HZ LYS 15 -23.061 1.528 -0.106 104 H ASN 16 H ASN 16 -16.787 -0.441 1.876 105 HA ASN 16 HA ASN 16 -17.500 -0.363 4.733 106 HB2 ASN 16 1HB ASN 16 -17.206 -2.806 4.813 107 HB3 ASN 16 2HB ASN 16 -18.488 -2.348 3.696 108 HD21 ASN 16 1HD2 ASN 16 -15.017 -3.047 3.768 109 HD22 ASN 16 2HD2 ASN 16 -14.974 -3.858 2.243 110 H PHE 17 H PHE 17 -15.279 0.858 3.157 111 HA PHE 17 HA PHE 17 -12.855 -0.399 3.382 112 HB2 PHE 17 1HB PHE 17 -12.636 1.643 2.361 113 HB3 PHE 17 2HB PHE 17 -13.721 2.445 3.492 114 HD1 PHE 17 2HD PHE 17 -10.400 0.739 3.533 115 HD2 PHE 17 1HD PHE 17 -12.787 3.985 4.902 116 HE1 PHE 17 2HE PHE 17 -8.459 1.653 4.737 117 HE2 PHE 17 1HE PHE 17 -10.850 4.906 6.108 118 HZ PHE 17 HZ PHE 17 -8.683 3.739 6.027 119 H GLU 18 H GLU 18 -14.055 1.912 5.823 120 HA GLU 18 HA GLU 18 -12.180 1.211 7.787 121 HB2 GLU 18 1HB GLU 18 -14.914 2.468 8.048 122 HB3 GLU 18 2HB GLU 18 -13.766 2.335 9.372 123 HG2 GLU 18 1HG GLU 18 -12.152 3.660 8.035 124 HG3 GLU 18 2HG GLU 18 -13.407 3.881 6.817 125 H ASP 19 H ASP 19 -15.402 -0.023 7.087 126 HA ASP 19 HA ASP 19 -15.926 -1.499 9.354 127 HB2 ASP 19 1HB ASP 19 -16.632 -1.838 6.469 128 HB3 ASP 19 2HB ASP 19 -17.014 -3.141 7.592 129 H VAL 20 H VAL 20 -13.803 -2.283 6.660 130 HA VAL 20 HA VAL 20 -13.112 -4.840 7.918 131 HB VAL 20 HB VAL 20 -12.407 -3.744 5.192 132 HG11 VAL 20 1HG1 VAL 20 -11.531 -6.188 6.662 133 HG12 VAL 20 2HG1 VAL 20 -11.739 -6.258 4.911 134 HG13 VAL 20 3HG1 VAL 20 -10.605 -5.108 5.620 135 HG21 VAL 20 1HG2 VAL 20 -14.176 -6.077 5.899 136 HG22 VAL 20 2HG2 VAL 20 -14.784 -4.450 5.590 137 HG23 VAL 20 3HG2 VAL 20 -13.948 -5.336 4.315 138 H ALA 21 H ALA 21 -11.402 -2.121 6.357 139 HA ALA 21 HA ALA 21 -8.835 -2.655 7.105 140 HB1 ALA 21 1HB ALA 21 -8.756 -0.002 7.358 141 HB2 ALA 21 2HB ALA 21 -8.895 -0.806 5.794 142 HB3 ALA 21 3HB ALA 21 -10.333 -0.157 6.581 143 H PHE 22 H PHE 22 -10.976 -0.492 8.974 144 HA PHE 22 HA PHE 22 -9.258 -0.620 11.271 145 HB2 PHE 22 1HB PHE 22 -11.894 0.687 10.670 146 HB3 PHE 22 2HB PHE 22 -11.302 0.606 12.327 147 HD1 PHE 22 2HD PHE 22 -8.513 1.120 12.187 148 HD2 PHE 22 1HD PHE 22 -11.642 2.809 9.847 149 HE1 PHE 22 2HE PHE 22 -7.134 3.119 11.791 150 HE2 PHE 22 1HE PHE 22 -10.268 4.810 9.447 151 HZ PHE 22 HZ PHE 22 -8.011 4.967 10.420 152 H ASP 23 H ASP 23 -9.176 -2.783 11.882 153 HA ASP 23 HA ASP 23 -11.635 -3.783 13.153 154 HB2 ASP 23 1HB ASP 23 -10.868 -4.940 10.939 155 HB3 ASP 23 2HB ASP 23 -9.639 -5.679 11.962 156 H GLU 24 H GLU 24 -11.235 -3.559 15.265 157 HA GLU 24 HA GLU 24 -8.804 -3.419 16.546 158 HB2 GLU 24 1HB GLU 24 -9.960 -3.694 18.580 159 HB3 GLU 24 2HB GLU 24 -11.130 -2.966 17.488 160 HG2 GLU 24 1HG GLU 24 -10.961 -5.908 18.093 161 HG3 GLU 24 2HG GLU 24 -12.059 -4.780 18.886 162 H LYS 25 H LYS 25 -7.525 -4.879 17.714 163 HA LYS 25 HA LYS 25 -6.422 -6.830 18.105 164 HB2 LYS 25 1HB LYS 25 -9.102 -8.096 17.503 165 HB3 LYS 25 2HB LYS 25 -7.737 -8.902 18.265 166 HG2 LYS 25 1HG LYS 25 -8.983 -6.447 19.453 167 HG3 LYS 25 2HG LYS 25 -9.611 -8.065 19.772 168 HD2 LYS 25 1HD LYS 25 -6.698 -7.519 20.141 169 HD3 LYS 25 2HD LYS 25 -7.843 -6.989 21.376 170 HE2 LYS 25 1HE LYS 25 -8.733 -9.363 21.363 171 HE3 LYS 25 2HE LYS 25 -7.318 -9.787 20.400 172 HZ1 LYS 25 1HZ LYS 25 -6.136 -8.517 22.384 173 HZ2 LYS 25 2HZ LYS 25 -6.475 -10.173 22.446 174 HZ3 LYS 25 3HZ LYS 25 -7.499 -9.071 23.220 175 H LYS 26 H LYS 26 -6.621 -5.676 15.397 176 HA LYS 26 HA LYS 26 -5.437 -7.894 13.979 177 HB2 LYS 26 1HB LYS 26 -7.661 -8.359 13.319 178 HB3 LYS 26 2HB LYS 26 -8.037 -6.655 13.098 179 HG2 LYS 26 1HG LYS 26 -7.838 -7.459 10.933 180 HG3 LYS 26 2HG LYS 26 -6.268 -6.713 11.239 181 HD2 LYS 26 1HD LYS 26 -5.823 -8.796 10.205 182 HD3 LYS 26 2HD LYS 26 -5.451 -9.007 11.918 183 HE2 LYS 26 1HE LYS 26 -6.717 -10.901 10.924 184 HE3 LYS 26 2HE LYS 26 -7.531 -10.141 12.290 185 HZ1 LYS 26 1HZ LYS 26 -8.269 -8.947 9.806 186 HZ2 LYS 26 2HZ LYS 26 -9.251 -9.600 11.017 187 HZ3 LYS 26 3HZ LYS 26 -8.604 -10.605 9.820 188 H ASN 27 H ASN 27 -3.704 -7.127 12.978 189 HA ASN 27 HA ASN 27 -3.461 -4.262 12.529 190 HB2 ASN 27 1HB ASN 27 -1.393 -6.427 12.099 191 HB3 ASN 27 2HB ASN 27 -1.104 -4.691 12.168 192 HD21 ASN 27 1HD2 ASN 27 -1.712 -7.571 13.973 193 HD22 ASN 27 2HD2 ASN 27 -1.421 -6.903 15.540 194 H VAL 28 H VAL 28 -4.778 -3.897 10.746 195 HA VAL 28 HA VAL 28 -4.262 -5.378 8.289 196 HB VAL 28 HB VAL 28 -6.238 -3.146 8.776 197 HG11 VAL 28 1HG1 VAL 28 -6.106 -5.178 6.551 198 HG12 VAL 28 2HG1 VAL 28 -7.285 -3.876 6.725 199 HG13 VAL 28 3HG1 VAL 28 -5.590 -3.497 6.418 200 HG21 VAL 28 1HG2 VAL 28 -6.354 -6.066 9.268 201 HG22 VAL 28 2HG2 VAL 28 -7.147 -4.741 10.120 202 HG23 VAL 28 3HG2 VAL 28 -7.786 -5.305 8.576 203 H PHE 29 H PHE 29 -2.967 -4.674 6.726 204 HA PHE 29 HA PHE 29 -1.995 -1.904 6.866 205 HB2 PHE 29 1HB PHE 29 -0.286 -3.690 7.063 206 HB3 PHE 29 2HB PHE 29 -0.749 -4.281 5.470 207 HD1 PHE 29 1HD PHE 29 -0.668 -0.703 6.194 208 HD2 PHE 29 2HD PHE 29 1.487 -4.006 4.592 209 HE1 PHE 29 1HE PHE 29 0.934 0.849 5.156 210 HE2 PHE 29 2HE PHE 29 3.092 -2.459 3.552 211 HZ PHE 29 HZ PHE 29 2.818 -0.028 3.834 212 H VAL 30 H VAL 30 -3.373 -0.730 5.638 213 HA VAL 30 HA VAL 30 -4.321 -1.720 3.087 214 HB VAL 30 HB VAL 30 -4.705 1.028 4.279 215 HG11 VAL 30 1HG1 VAL 30 -6.796 0.879 2.811 216 HG12 VAL 30 2HG1 VAL 30 -5.249 1.144 2.005 217 HG13 VAL 30 3HG1 VAL 30 -5.980 -0.461 2.007 218 HG21 VAL 30 1HG2 VAL 30 -7.010 0.022 4.840 219 HG22 VAL 30 2HG2 VAL 30 -6.202 -1.538 4.684 220 HG23 VAL 30 3HG2 VAL 30 -5.645 -0.373 5.885 221 H GLU 31 H GLU 31 -4.050 -0.521 1.092 222 HA GLU 31 HA GLU 31 -1.643 1.154 0.983 223 HB2 GLU 31 1HB GLU 31 -0.675 -0.828 0.277 224 HB3 GLU 31 2HB GLU 31 -2.153 -1.401 -0.483 225 HG2 GLU 31 1HG GLU 31 -1.850 0.324 -2.242 226 HG3 GLU 31 2HG GLU 31 -0.296 0.729 -1.514 227 H PHE 32 H PHE 32 -2.456 3.048 0.339 228 HA PHE 32 HA PHE 32 -4.683 3.194 -1.495 229 HB2 PHE 32 1HB PHE 32 -2.991 5.357 -0.225 230 HB3 PHE 32 2HB PHE 32 -4.414 5.654 -1.219 231 HD1 PHE 32 1HD PHE 32 -6.647 4.990 -0.412 232 HD2 PHE 32 2HD PHE 32 -3.182 4.683 2.042 233 HE1 PHE 32 1HE PHE 32 -8.078 4.807 1.581 234 HE2 PHE 32 2HE PHE 32 -4.608 4.498 4.038 235 HZ PHE 32 HZ PHE 32 -7.060 4.559 3.809 236 H TYR 33 H TYR 33 -4.104 2.537 -3.508 237 HA TYR 33 HA TYR 33 -1.773 3.829 -4.753 238 HB2 TYR 33 1HB TYR 33 -1.728 2.007 -6.327 239 HB3 TYR 33 2HB TYR 33 -1.822 1.330 -4.706 240 HD1 TYR 33 2HD TYR 33 -3.789 2.054 -7.756 241 HD2 TYR 33 1HD TYR 33 -3.634 -0.053 -4.063 242 HE1 TYR 33 2HE TYR 33 -5.769 0.756 -8.421 243 HE2 TYR 33 1HE TYR 33 -5.613 -1.359 -4.719 244 HH TYR 33 HH TYR 33 -6.946 -1.926 -6.475 245 H ALA 34 H ALA 34 -2.123 3.978 -7.263 246 HA ALA 34 HA ALA 34 -4.793 5.110 -7.779 247 HB1 ALA 34 1HB ALA 34 -3.989 7.106 -8.417 248 HB2 ALA 34 2HB ALA 34 -2.583 6.653 -7.453 249 HB3 ALA 34 3HB ALA 34 -2.573 6.401 -9.198 250 HA PRO 35 HA PRO 35 -4.699 2.405 -11.275 251 HB2 PRO 35 1HB PRO 35 -6.830 3.453 -12.592 252 HB3 PRO 35 2HB PRO 35 -6.994 2.436 -11.155 253 HG2 PRO 35 1HG PRO 35 -7.096 5.419 -11.387 254 HG3 PRO 35 2HG PRO 35 -8.132 4.334 -10.441 255 HD2 PRO 35 1HD PRO 35 -6.095 5.735 -9.335 256 HD3 PRO 35 2HD PRO 35 -6.586 4.135 -8.742 257 H TRP 36 H TRP 36 -3.972 5.686 -11.299 258 HA TRP 36 HA TRP 36 -3.201 5.558 -14.140 259 HB2 TRP 36 1HB TRP 36 -3.332 8.195 -13.820 260 HB3 TRP 36 2HB TRP 36 -4.748 7.245 -14.261 261 HD1 TRP 36 HD TRP 36 -6.725 7.126 -12.533 262 HE1 TRP 36 1HE TRP 36 -7.209 8.338 -10.315 263 HE3 TRP 36 3HE TRP 36 -2.111 9.163 -11.695 264 HZ2 TRP 36 2HZ TRP 36 -5.820 9.945 -8.456 265 HZ3 TRP 36 3HZ TRP 36 -1.772 10.525 -9.674 266 HH2 TRP 36 HH TRP 36 -3.590 10.907 -8.090 267 H CYS 37 H CYS 37 -2.165 5.820 -10.954 268 HA CYS 37 HA CYS 37 0.134 7.467 -11.348 269 HB2 CYS 37 1HB CYS 37 -0.689 7.320 -9.126 270 HB3 CYS 37 2HB CYS 37 -0.696 5.561 -9.165 271 HG CYS 37 HG CYS 37 1.422 5.637 -7.673 272 H GLY 38 H GLY 38 2.033 6.949 -12.216 273 HA2 GLY 38 1HA GLY 38 2.509 4.451 -13.424 274 HA3 GLY 38 2HA GLY 38 3.710 5.711 -13.177 275 H HIS 39 H HIS 39 3.917 5.873 -10.479 276 HA HIS 39 HA HIS 39 5.633 3.787 -9.826 277 HB2 HIS 39 1HB HIS 39 4.184 5.815 -8.137 278 HB3 HIS 39 2HB HIS 39 5.256 4.618 -7.416 279 HD1 HIS 39 1HD HIS 39 7.571 4.665 -9.410 280 HD2 HIS 39 2HD HIS 39 5.675 8.079 -7.993 281 HE1 HIS 39 1HE HIS 39 9.236 6.527 -9.698 282 HE2 HIS 39 2HE HIS 39 8.098 8.566 -8.755 283 H CYS 40 H CYS 40 2.184 4.060 -9.447 284 HA CYS 40 HA CYS 40 1.824 1.995 -7.549 285 HB2 CYS 40 1HB CYS 40 -0.054 3.325 -7.735 286 HB3 CYS 40 2HB CYS 40 0.063 3.430 -9.487 287 HG CYS 40 HG CYS 40 -0.757 0.464 -8.039 288 H LYS 41 H LYS 41 1.644 2.021 -11.097 289 HA LYS 41 HA LYS 41 0.873 -0.559 -11.598 290 HB2 LYS 41 1HB LYS 41 2.805 1.234 -13.050 291 HB3 LYS 41 2HB LYS 41 2.399 -0.364 -13.661 292 HG2 LYS 41 1HG LYS 41 0.193 0.220 -14.088 293 HG3 LYS 41 2HG LYS 41 0.250 1.611 -13.002 294 HD2 LYS 41 1HD LYS 41 1.803 2.729 -14.553 295 HD3 LYS 41 2HD LYS 41 1.683 1.349 -15.647 296 HE2 LYS 41 1HE LYS 41 -0.777 2.801 -14.751 297 HE3 LYS 41 2HE LYS 41 0.207 3.440 -16.067 298 HZ1 LYS 41 1HZ LYS 41 -1.069 0.759 -15.976 299 HZ2 LYS 41 2HZ LYS 41 -0.068 1.314 -17.221 300 HZ3 LYS 41 3HZ LYS 41 -1.555 2.067 -16.933 301 H GLN 42 H GLN 42 3.848 0.531 -10.237 302 HA GLN 42 HA GLN 42 5.198 -2.003 -10.711 303 HB2 GLN 42 1HB GLN 42 6.086 0.506 -9.281 304 HB3 GLN 42 2HB GLN 42 7.087 -0.924 -9.491 305 HG2 GLN 42 1HG GLN 42 6.606 -0.589 -12.011 306 HG3 GLN 42 2HG GLN 42 6.157 1.047 -11.531 307 HE21 GLN 42 1HE2 GLN 42 7.714 2.505 -11.168 308 HE22 GLN 42 2HE2 GLN 42 9.409 2.171 -11.207 309 H LEU 43 H LEU 43 3.433 -0.364 -8.225 310 HA LEU 43 HA LEU 43 4.359 -2.100 -6.106 311 HB2 LEU 43 1HB LEU 43 3.583 0.363 -5.934 312 HB3 LEU 43 2HB LEU 43 1.958 -0.318 -5.936 313 HG LEU 43 HG LEU 43 2.621 -1.663 -3.923 314 HD11 LEU 43 1HD1 LEU 43 4.829 -1.799 -3.583 315 HD12 LEU 43 2HD1 LEU 43 4.644 -0.231 -2.799 316 HD13 LEU 43 3HD1 LEU 43 5.160 -0.318 -4.483 317 HD21 LEU 43 1HD2 LEU 43 2.554 0.322 -2.382 318 HD22 LEU 43 2HD2 LEU 43 1.271 0.261 -3.590 319 HD23 LEU 43 3HD2 LEU 43 2.644 1.345 -3.816 320 H ALA 44 H ALA 44 1.962 -2.175 -8.520 321 HA ALA 44 HA ALA 44 -0.147 -3.536 -7.366 322 HB1 ALA 44 1HB ALA 44 0.275 -4.680 -9.919 323 HB2 ALA 44 2HB ALA 44 -0.857 -3.406 -9.462 324 HB3 ALA 44 3HB ALA 44 0.768 -2.989 -10.005 325 HA PRO 45 HA PRO 45 2.135 -7.707 -8.285 326 HB2 PRO 45 1HB PRO 45 4.790 -7.557 -8.832 327 HB3 PRO 45 2HB PRO 45 3.546 -7.488 -10.085 328 HG2 PRO 45 1HG PRO 45 5.059 -5.252 -8.793 329 HG3 PRO 45 2HG PRO 45 4.654 -5.487 -10.503 330 HD2 PRO 45 1HD PRO 45 3.262 -3.814 -8.893 331 HD3 PRO 45 2HD PRO 45 2.505 -4.700 -10.232 332 H ILE 46 H ILE 46 4.406 -5.315 -6.927 333 HA ILE 46 HA ILE 46 5.555 -6.974 -4.996 334 HB ILE 46 HB ILE 46 5.128 -3.989 -4.816 335 HG12 ILE 46 1HG1 ILE 46 7.715 -5.216 -5.642 336 HG13 ILE 46 2HG1 ILE 46 6.416 -5.168 -6.828 337 HG21 ILE 46 1HG2 ILE 46 6.225 -5.853 -2.973 338 HG22 ILE 46 2HG2 ILE 46 7.533 -4.845 -3.590 339 HG23 ILE 46 3HG2 ILE 46 6.125 -4.098 -2.838 340 HD11 ILE 46 1HD1 ILE 46 7.247 -3.158 -7.323 341 HD12 ILE 46 2HD1 ILE 46 6.381 -2.623 -5.883 342 HD13 ILE 46 3HD1 ILE 46 8.096 -3.020 -5.784 343 H TRP 47 H TRP 47 2.667 -4.946 -4.867 344 HA TRP 47 HA TRP 47 2.173 -5.366 -2.092 345 HB2 TRP 47 1HB TRP 47 1.287 -3.463 -3.542 346 HB3 TRP 47 2HB TRP 47 0.107 -4.616 -4.159 347 HD1 TRP 47 HD TRP 47 -2.110 -4.652 -2.889 348 HE1 TRP 47 1HE TRP 47 -2.914 -3.921 -0.555 349 HE3 TRP 47 3HE TRP 47 2.374 -3.214 -0.898 350 HZ2 TRP 47 2HZ TRP 47 -1.795 -2.873 1.815 351 HZ3 TRP 47 3HZ TRP 47 2.421 -2.358 1.408 352 HH2 TRP 47 HH TRP 47 0.378 -2.191 2.735 353 H ASP 48 H ASP 48 1.176 -6.976 -5.051 354 HA ASP 48 HA ASP 48 -0.776 -8.650 -3.808 355 HB2 ASP 48 1HB ASP 48 -1.175 -8.454 -6.075 356 HB3 ASP 48 2HB ASP 48 0.536 -8.527 -6.490 357 H LYS 49 H LYS 49 2.658 -8.827 -4.325 358 HA LYS 49 HA LYS 49 2.859 -11.644 -3.776 359 HB2 LYS 49 1HB LYS 49 4.878 -9.429 -4.071 360 HB3 LYS 49 2HB LYS 49 5.349 -11.054 -3.593 361 HG2 LYS 49 1HG LYS 49 4.934 -11.934 -5.654 362 HG3 LYS 49 2HG LYS 49 3.688 -10.743 -6.034 363 HD2 LYS 49 1HD LYS 49 5.411 -10.078 -7.419 364 HD3 LYS 49 2HD LYS 49 5.679 -9.060 -6.002 365 HE2 LYS 49 1HE LYS 49 7.418 -10.498 -5.214 366 HE3 LYS 49 2HE LYS 49 7.050 -11.706 -6.443 367 HZ1 LYS 49 1HZ LYS 49 8.301 -10.651 -7.926 368 HZ2 LYS 49 2HZ LYS 49 8.914 -9.732 -6.646 369 HZ3 LYS 49 3HZ LYS 49 7.626 -9.141 -7.570 370 H LEU 50 H LEU 50 2.770 -8.739 -1.926 371 HA LEU 50 HA LEU 50 3.950 -9.960 0.430 372 HB2 LEU 50 1HB LEU 50 4.545 -7.753 0.379 373 HB3 LEU 50 2HB LEU 50 3.014 -7.245 -0.332 374 HG LEU 50 HG LEU 50 1.965 -7.676 1.926 375 HD11 LEU 50 1HD1 LEU 50 3.317 -8.937 3.232 376 HD12 LEU 50 2HD1 LEU 50 3.912 -7.351 3.723 377 HD13 LEU 50 3HD1 LEU 50 4.796 -8.291 2.520 378 HD21 LEU 50 1HD2 LEU 50 2.484 -5.529 2.709 379 HD22 LEU 50 2HD2 LEU 50 2.717 -5.437 0.963 380 HD23 LEU 50 3HD2 LEU 50 4.112 -5.580 2.033 381 H GLY 51 H GLY 51 0.787 -9.063 -0.807 382 HA2 GLY 51 1HA GLY 51 -0.682 -9.376 1.577 383 HA3 GLY 51 2HA GLY 51 -1.334 -9.506 -0.050 384 H GLU 52 H GLU 52 0.090 -11.693 -0.999 385 HA GLU 52 HA GLU 52 -1.427 -13.828 0.031 386 HB2 GLU 52 1HB GLU 52 -0.390 -15.170 -1.572 387 HB3 GLU 52 2HB GLU 52 -0.330 -13.566 -2.288 388 HG2 GLU 52 1HG GLU 52 1.966 -13.319 -1.765 389 HG3 GLU 52 2HG GLU 52 1.952 -14.750 -0.735 390 H THR 53 H THR 53 1.596 -12.490 0.979 391 HA THR 53 HA THR 53 2.625 -14.810 2.298 392 HB THR 53 HB THR 53 3.354 -11.893 2.622 393 HG1 THR 53 1HG THR 53 5.229 -13.438 1.469 394 HG21 THR 53 1HG2 THR 53 3.960 -13.230 4.601 395 HG22 THR 53 2HG2 THR 53 5.382 -12.686 3.711 396 HG23 THR 53 3HG2 THR 53 4.832 -14.354 3.559 397 H TYR 54 H TYR 54 0.568 -12.132 3.205 398 HA TYR 54 HA TYR 54 0.338 -13.288 5.906 399 HB2 TYR 54 1HB TYR 54 0.035 -10.388 5.098 400 HB3 TYR 54 2HB TYR 54 -0.214 -11.025 6.720 401 HD1 TYR 54 2HD TYR 54 2.329 -10.441 4.097 402 HD2 TYR 54 1HD TYR 54 1.617 -11.404 8.179 403 HE1 TYR 54 2HE TYR 54 4.716 -10.109 4.585 404 HE2 TYR 54 1HE TYR 54 4.002 -11.073 8.680 405 HH TYR 54 HH TYR 54 6.277 -11.237 6.988 406 H LYS 55 H LYS 55 -1.170 -13.793 3.369 407 HA LYS 55 HA LYS 55 -3.747 -12.633 3.595 408 HB2 LYS 55 1HB LYS 55 -4.423 -14.159 1.908 409 HB3 LYS 55 2HB LYS 55 -2.757 -13.729 1.541 410 HG2 LYS 55 1HG LYS 55 -2.055 -15.841 2.688 411 HG3 LYS 55 2HG LYS 55 -3.762 -16.279 2.778 412 HD2 LYS 55 1HD LYS 55 -3.939 -16.604 0.512 413 HD3 LYS 55 2HD LYS 55 -2.631 -15.478 0.141 414 HE2 LYS 55 1HE LYS 55 -1.645 -17.510 -0.320 415 HE3 LYS 55 2HE LYS 55 -1.142 -17.241 1.348 416 HZ1 LYS 55 1HZ LYS 55 -3.603 -18.556 1.396 417 HZ2 LYS 55 2HZ LYS 55 -2.097 -19.146 1.890 418 HZ3 LYS 55 3HZ LYS 55 -2.616 -19.383 0.298 419 H ASP 56 H ASP 56 -2.254 -15.501 4.945 420 HA ASP 56 HA ASP 56 -4.763 -16.077 6.381 421 HB2 ASP 56 1HB ASP 56 -2.697 -17.853 5.181 422 HB3 ASP 56 2HB ASP 56 -3.451 -18.383 6.682 423 H HIS 57 H HIS 57 -2.631 -14.180 7.111 424 HA HIS 57 HA HIS 57 -1.016 -15.259 9.164 425 HB2 HIS 57 1HB HIS 57 -0.986 -12.919 7.888 426 HB3 HIS 57 2HB HIS 57 -1.893 -12.415 9.311 427 HD1 HIS 57 1HD HIS 57 -0.575 -11.923 11.378 428 HD2 HIS 57 2HD HIS 57 1.652 -13.963 8.525 429 HE1 HIS 57 1HE HIS 57 1.783 -11.942 12.253 430 HE2 HIS 57 2HE HIS 57 3.127 -13.107 10.469 431 H GLU 58 H GLU 58 -1.321 -13.867 11.424 432 HA GLU 58 HA GLU 58 -3.896 -14.842 12.442 433 HB2 GLU 58 1HB GLU 58 -2.895 -15.066 14.564 434 HB3 GLU 58 2HB GLU 58 -1.688 -15.648 13.426 435 HG2 GLU 58 1HG GLU 58 -0.576 -13.445 13.540 436 HG3 GLU 58 2HG GLU 58 -1.742 -12.955 14.767 437 H ASN 59 H ASN 59 -1.674 -12.082 12.798 438 HA ASN 59 HA ASN 59 -4.018 -10.402 13.401 439 HB2 ASN 59 1HB ASN 59 -2.743 -9.130 14.975 440 HB3 ASN 59 2HB ASN 59 -2.511 -10.827 15.382 441 HD21 ASN 59 1HD2 ASN 59 -0.509 -11.651 15.398 442 HD22 ASN 59 2HD2 ASN 59 0.916 -10.780 14.958 443 H ILE 60 H ILE 60 -2.096 -11.074 11.006 444 HA ILE 60 HA ILE 60 -1.698 -8.263 10.211 445 HB ILE 60 HB ILE 60 -0.060 -10.638 9.317 446 HG12 ILE 60 1HG1 ILE 60 0.671 -8.345 11.152 447 HG13 ILE 60 2HG1 ILE 60 0.375 -10.004 11.662 448 HG21 ILE 60 1HG2 ILE 60 0.556 -9.360 7.612 449 HG22 ILE 60 2HG2 ILE 60 -0.439 -8.031 8.205 450 HG23 ILE 60 3HG2 ILE 60 1.226 -8.200 8.759 451 HD11 ILE 60 1HD1 ILE 60 2.706 -8.837 10.250 452 HD12 ILE 60 2HD1 ILE 60 2.646 -10.008 11.567 453 HD13 ILE 60 3HD1 ILE 60 2.278 -10.515 9.919 454 H VAL 61 H VAL 61 -3.242 -7.736 8.812 455 HA VAL 61 HA VAL 61 -3.907 -9.661 6.679 456 HB VAL 61 HB VAL 61 -5.714 -7.861 8.260 457 HG11 VAL 61 1HG1 VAL 61 -6.390 -7.207 6.140 458 HG12 VAL 61 2HG1 VAL 61 -6.061 -8.791 5.436 459 HG13 VAL 61 3HG1 VAL 61 -7.461 -8.564 6.485 460 HG21 VAL 61 1HG2 VAL 61 -7.010 -9.827 8.578 461 HG22 VAL 61 2HG2 VAL 61 -6.107 -10.703 7.343 462 HG23 VAL 61 3HG2 VAL 61 -5.328 -10.273 8.866 463 H ILE 62 H ILE 62 -3.123 -8.960 4.811 464 HA ILE 62 HA ILE 62 -2.584 -6.155 4.365 465 HB ILE 62 HB ILE 62 -2.213 -8.530 2.536 466 HG12 ILE 62 1HG1 ILE 62 -0.828 -8.501 4.626 467 HG13 ILE 62 2HG1 ILE 62 0.114 -8.434 3.140 468 HG21 ILE 62 1HG2 ILE 62 -0.651 -6.104 2.045 469 HG22 ILE 62 2HG2 ILE 62 -1.484 -7.168 0.913 470 HG23 ILE 62 3HG2 ILE 62 -2.384 -5.919 1.772 471 HD11 ILE 62 1HD1 ILE 62 0.448 -6.801 5.281 472 HD12 ILE 62 2HD1 ILE 62 0.962 -6.430 3.635 473 HD13 ILE 62 3HD1 ILE 62 -0.577 -5.816 4.238 474 H ALA 63 H ALA 63 -3.686 -4.778 3.075 475 HA ALA 63 HA ALA 63 -5.798 -5.791 1.338 476 HB1 ALA 63 1HB ALA 63 -6.536 -3.551 3.163 477 HB2 ALA 63 2HB ALA 63 -7.568 -4.723 2.341 478 HB3 ALA 63 3HB ALA 63 -6.628 -5.211 3.751 479 H LYS 64 H LYS 64 -6.590 -4.197 -0.174 480 HA LYS 64 HA LYS 64 -4.853 -1.841 -0.465 481 HB2 LYS 64 1HB LYS 64 -4.603 -2.223 -2.819 482 HB3 LYS 64 2HB LYS 64 -4.133 -3.697 -1.982 483 HG2 LYS 64 1HG LYS 64 -6.189 -4.764 -2.556 484 HG3 LYS 64 2HG LYS 64 -6.850 -3.258 -3.199 485 HD2 LYS 64 1HD LYS 64 -5.050 -3.264 -4.911 486 HD3 LYS 64 2HD LYS 64 -4.533 -4.841 -4.310 487 HE2 LYS 64 1HE LYS 64 -6.956 -5.572 -4.736 488 HE3 LYS 64 2HE LYS 64 -7.090 -4.101 -5.697 489 HZ1 LYS 64 1HZ LYS 64 -4.746 -5.592 -6.348 490 HZ2 LYS 64 2HZ LYS 64 -5.982 -5.038 -7.361 491 HZ3 LYS 64 3HZ LYS 64 -6.146 -6.517 -6.558 492 H MET 65 H MET 65 -5.800 -0.022 -1.375 493 HA MET 65 HA MET 65 -8.610 -0.180 -2.162 494 HB2 MET 65 1HB MET 65 -8.384 0.353 0.327 495 HB3 MET 65 2HB MET 65 -7.692 1.891 -0.174 496 HG2 MET 65 1HG MET 65 -9.710 2.534 -1.257 497 HG3 MET 65 2HG MET 65 -10.399 0.926 -1.049 498 HE1 MET 65 1HE MET 65 -11.717 3.976 0.028 499 HE2 MET 65 2HE MET 65 -10.993 4.425 1.572 500 HE3 MET 65 3HE MET 65 -9.997 4.354 0.117 501 H ASP 66 H ASP 66 -9.234 1.352 -3.640 502 HA ASP 66 HA ASP 66 -7.070 2.850 -4.884 503 HB2 ASP 66 1HB ASP 66 -9.784 3.045 -6.028 504 HB3 ASP 66 2HB ASP 66 -8.247 2.704 -6.818 505 H SER 67 H SER 67 -6.675 4.686 -3.764 506 HA SER 67 HA SER 67 -8.589 6.259 -2.449 507 HB2 SER 67 1HB SER 67 -5.956 6.251 -2.335 508 HB3 SER 67 2HB SER 67 -6.105 7.505 -3.565 509 HG SER 67 HG SER 67 -7.348 7.530 -1.011 510 H THR 68 H THR 68 -7.819 5.969 -5.766 511 HA THR 68 HA THR 68 -8.889 8.572 -6.488 512 HB THR 68 HB THR 68 -8.218 8.141 -8.693 513 HG1 THR 68 1HG THR 68 -9.084 6.153 -9.124 514 HG21 THR 68 1HG2 THR 68 -6.349 8.259 -6.973 515 HG22 THR 68 2HG2 THR 68 -5.931 7.556 -8.536 516 HG23 THR 68 3HG2 THR 68 -6.217 6.509 -7.146 517 H ALA 69 H ALA 69 -10.129 5.552 -5.773 518 HA ALA 69 HA ALA 69 -12.587 6.131 -7.294 519 HB1 ALA 69 1HB ALA 69 -12.941 3.859 -7.744 520 HB2 ALA 69 2HB ALA 69 -11.227 4.116 -8.070 521 HB3 ALA 69 3HB ALA 69 -11.732 3.347 -6.566 522 H ASN 70 H ASN 70 -11.152 5.661 -4.274 523 HA ASN 70 HA ASN 70 -13.792 5.598 -3.005 524 HB2 ASN 70 1HB ASN 70 -11.482 3.948 -1.974 525 HB3 ASN 70 2HB ASN 70 -13.150 3.934 -1.409 526 HD21 ASN 70 1HD2 ASN 70 -10.910 2.761 -3.727 527 HD22 ASN 70 2HD2 ASN 70 -11.982 1.678 -4.542 528 H GLU 71 H GLU 71 -13.915 7.468 -1.956 529 HA GLU 71 HA GLU 71 -11.501 8.533 -0.662 530 HB2 GLU 71 1HB GLU 71 -12.996 9.846 -2.389 531 HB3 GLU 71 2HB GLU 71 -14.008 10.130 -0.980 532 HG2 GLU 71 1HG GLU 71 -12.370 11.937 -1.470 533 HG3 GLU 71 2HG GLU 71 -12.260 11.264 0.155 534 H VAL 72 H VAL 72 -11.387 8.771 1.493 535 HA VAL 72 HA VAL 72 -13.834 8.501 3.088 536 HB VAL 72 HB VAL 72 -12.555 7.046 4.703 537 HG11 VAL 72 1HG1 VAL 72 -13.374 6.142 1.970 538 HG12 VAL 72 2HG1 VAL 72 -12.749 4.985 3.147 539 HG13 VAL 72 3HG1 VAL 72 -14.198 5.922 3.514 540 HG21 VAL 72 1HG2 VAL 72 -10.317 7.223 4.186 541 HG22 VAL 72 2HG2 VAL 72 -10.726 5.686 3.425 542 HG23 VAL 72 3HG2 VAL 72 -10.601 7.148 2.447 543 H GLU 73 H GLU 73 -13.814 9.571 5.053 544 HA GLU 73 HA GLU 73 -11.928 11.729 5.262 545 HB2 GLU 73 1HB GLU 73 -13.289 12.508 7.098 546 HB3 GLU 73 2HB GLU 73 -14.338 12.001 5.781 547 HG2 GLU 73 1HG GLU 73 -13.685 10.071 7.953 548 HG3 GLU 73 2HG GLU 73 -14.877 11.337 8.243 549 H ALA 74 H ALA 74 -12.452 8.656 6.829 550 HA ALA 74 HA ALA 74 -10.955 9.029 9.159 551 HB1 ALA 74 1HB ALA 74 -12.451 7.054 8.455 552 HB2 ALA 74 2HB ALA 74 -10.993 6.416 7.695 553 HB3 ALA 74 3HB ALA 74 -11.021 6.720 9.431 554 H VAL 75 H VAL 75 -9.941 8.975 5.926 555 HA VAL 75 HA VAL 75 -7.166 9.140 6.738 556 HB VAL 75 HB VAL 75 -8.191 6.901 5.014 557 HG11 VAL 75 1HG1 VAL 75 -6.503 7.874 3.654 558 HG12 VAL 75 2HG1 VAL 75 -5.428 8.097 5.036 559 HG13 VAL 75 3HG1 VAL 75 -5.780 6.473 4.444 560 HG21 VAL 75 1HG2 VAL 75 -6.363 5.746 6.482 561 HG22 VAL 75 2HG2 VAL 75 -6.580 7.158 7.515 562 HG23 VAL 75 3HG2 VAL 75 -7.950 6.104 7.163 563 H LYS 76 H LYS 76 -6.334 10.806 5.682 564 HA LYS 76 HA LYS 76 -7.507 11.577 3.100 565 HB2 LYS 76 1HB LYS 76 -6.057 13.127 5.232 566 HB3 LYS 76 2HB LYS 76 -6.240 13.765 3.604 567 HG2 LYS 76 1HG LYS 76 -8.604 12.843 5.198 568 HG3 LYS 76 2HG LYS 76 -7.943 14.471 5.370 569 HD2 LYS 76 1HD LYS 76 -8.569 15.095 3.247 570 HD3 LYS 76 2HD LYS 76 -8.536 13.440 2.636 571 HE2 LYS 76 1HE LYS 76 -10.803 13.885 2.718 572 HE3 LYS 76 2HE LYS 76 -10.528 13.075 4.259 573 HZ1 LYS 76 1HZ LYS 76 -11.474 15.702 3.765 574 HZ2 LYS 76 2HZ LYS 76 -10.086 15.753 4.730 575 HZ3 LYS 76 3HZ LYS 76 -11.425 14.842 5.221 576 H VAL 77 H VAL 77 -6.396 11.061 1.345 577 HA VAL 77 HA VAL 77 -3.465 10.814 1.551 578 HB VAL 77 HB VAL 77 -5.220 9.500 -0.522 579 HG11 VAL 77 1HG1 VAL 77 -2.331 9.161 0.263 580 HG12 VAL 77 2HG1 VAL 77 -3.197 8.059 -0.808 581 HG13 VAL 77 3HG1 VAL 77 -2.965 9.744 -1.275 582 HG21 VAL 77 1HG2 VAL 77 -5.256 7.526 0.728 583 HG22 VAL 77 2HG2 VAL 77 -3.986 8.081 1.817 584 HG23 VAL 77 3HG2 VAL 77 -5.600 8.785 1.914 585 H HIS 78 H HIS 78 -2.397 12.423 0.626 586 HA HIS 78 HA HIS 78 -3.624 13.801 -1.669 587 HB2 HIS 78 1HB HIS 78 -1.445 14.907 0.101 588 HB3 HIS 78 2HB HIS 78 -2.455 15.782 -1.045 589 HD1 HIS 78 1HD HIS 78 -2.185 16.476 2.023 590 HD2 HIS 78 2HD HIS 78 -5.287 14.337 0.273 591 HE1 HIS 78 1HE HIS 78 -4.141 16.731 3.583 592 HE2 HIS 78 2HE HIS 78 -5.981 15.358 2.546 593 H SER 79 H SER 79 -1.835 11.338 -1.490 594 HA SER 79 HA SER 79 -0.260 11.934 -3.796 595 HB2 SER 79 1HB SER 79 1.048 11.794 -1.113 596 HB3 SER 79 2HB SER 79 1.888 11.090 -2.494 597 HG SER 79 HG SER 79 1.167 13.337 -3.419 598 H PHE 80 H PHE 80 1.040 10.001 -4.483 599 HA PHE 80 HA PHE 80 0.415 7.467 -3.284 600 HB2 PHE 80 1HB PHE 80 -0.619 7.828 -6.083 601 HB3 PHE 80 2HB PHE 80 -0.989 6.554 -4.926 602 HD1 PHE 80 1HD PHE 80 -2.502 7.009 -3.029 603 HD2 PHE 80 2HD PHE 80 -1.842 9.859 -6.121 604 HE1 PHE 80 1HE PHE 80 -4.529 8.222 -2.340 605 HE2 PHE 80 2HE PHE 80 -3.867 11.077 -5.435 606 HZ PHE 80 HZ PHE 80 -5.213 10.259 -3.542 607 HA PRO 81 HA PRO 81 0.353 5.293 -4.182 608 HB2 PRO 81 1HB PRO 81 2.128 3.438 -3.301 609 HB3 PRO 81 2HB PRO 81 1.537 3.487 -4.966 610 HG2 PRO 81 1HG PRO 81 4.111 4.519 -3.837 611 HG3 PRO 81 2HG PRO 81 3.827 3.627 -5.344 612 HD2 PRO 81 1HD PRO 81 4.167 6.313 -5.283 613 HD3 PRO 81 2HD PRO 81 3.123 5.509 -6.473 614 H THR 82 H THR 82 -0.309 5.045 -2.081 615 HA THR 82 HA THR 82 1.478 6.083 0.019 616 HB THR 82 HB THR 82 -1.454 6.667 -0.387 617 HG1 THR 82 1HG THR 82 0.531 7.976 -1.192 618 HG21 THR 82 1HG2 THR 82 0.192 7.313 2.061 619 HG22 THR 82 2HG2 THR 82 -1.006 6.021 1.975 620 HG23 THR 82 3HG2 THR 82 -1.506 7.702 1.790 621 H LEU 83 H LEU 83 1.661 4.864 1.805 622 HA LEU 83 HA LEU 83 -0.200 2.599 2.115 623 HB2 LEU 83 1HB LEU 83 2.676 2.620 2.994 624 HB3 LEU 83 2HB LEU 83 1.579 1.243 2.912 625 HG LEU 83 HG LEU 83 2.702 2.738 0.543 626 HD11 LEU 83 1HD1 LEU 83 4.497 1.528 1.377 627 HD12 LEU 83 2HD1 LEU 83 3.785 0.422 0.203 628 HD13 LEU 83 3HD1 LEU 83 3.476 0.198 1.925 629 HD21 LEU 83 1HD2 LEU 83 0.692 0.560 0.844 630 HD22 LEU 83 2HD2 LEU 83 1.783 0.528 -0.541 631 HD23 LEU 83 3HD2 LEU 83 0.728 1.918 -0.282 632 H LYS 84 H LYS 84 -1.020 2.188 4.116 633 HA LYS 84 HA LYS 84 -0.041 3.765 6.383 634 HB2 LYS 84 1HB LYS 84 -2.961 3.569 5.624 635 HB3 LYS 84 2HB LYS 84 -2.304 4.411 7.021 636 HG2 LYS 84 1HG LYS 84 -0.938 5.676 5.124 637 HG3 LYS 84 2HG LYS 84 -2.346 5.203 4.170 638 HD2 LYS 84 1HD LYS 84 -3.811 6.255 5.838 639 HD3 LYS 84 2HD LYS 84 -2.391 6.750 6.762 640 HE2 LYS 84 1HE LYS 84 -1.667 7.858 4.516 641 HE3 LYS 84 2HE LYS 84 -3.381 7.741 4.121 642 HZ1 LYS 84 1HZ LYS 84 -3.765 8.889 6.328 643 HZ2 LYS 84 2HZ LYS 84 -3.109 9.835 5.089 644 HZ3 LYS 84 3HZ LYS 84 -2.112 9.251 6.325 645 H PHE 85 H PHE 85 0.184 2.565 8.154 646 HA PHE 85 HA PHE 85 -0.895 -0.144 8.152 647 HB2 PHE 85 1HB PHE 85 1.455 0.029 8.659 648 HB3 PHE 85 2HB PHE 85 1.143 1.223 9.915 649 HD1 PHE 85 2HD PHE 85 0.548 -2.317 8.988 650 HD2 PHE 85 1HD PHE 85 0.754 0.563 12.115 651 HE1 PHE 85 2HE PHE 85 0.389 -4.120 10.655 652 HE2 PHE 85 1HE PHE 85 0.596 -1.235 13.787 653 HZ PHE 85 HZ PHE 85 0.412 -3.580 13.058 654 H PHE 86 H PHE 86 -2.590 -0.746 9.329 655 HA PHE 86 HA PHE 86 -3.644 1.150 11.311 656 HB2 PHE 86 1HB PHE 86 -5.078 -1.112 9.903 657 HB3 PHE 86 2HB PHE 86 -5.810 0.074 10.979 658 HD1 PHE 86 1HD PHE 86 -3.660 2.119 9.511 659 HD2 PHE 86 2HD PHE 86 -6.977 -0.300 8.388 660 HE1 PHE 86 1HE PHE 86 -4.084 3.597 7.590 661 HE2 PHE 86 2HE PHE 86 -7.406 1.174 6.466 662 HZ PHE 86 HZ PHE 86 -5.958 3.125 6.064 663 HA PRO 87 HA PRO 87 -2.131 -1.975 14.192 664 HB2 PRO 87 1HB PRO 87 -2.384 -0.389 16.382 665 HB3 PRO 87 2HB PRO 87 -1.013 -0.282 15.271 666 HG2 PRO 87 1HG PRO 87 -3.469 1.423 15.419 667 HG3 PRO 87 2HG PRO 87 -1.781 1.911 15.180 668 HD2 PRO 87 1HD PRO 87 -3.546 1.724 13.135 669 HD3 PRO 87 2HD PRO 87 -1.814 1.386 12.936 670 H ALA 88 H ALA 88 -3.058 -2.983 16.126 671 HA ALA 88 HA ALA 88 -5.871 -3.400 15.831 672 HB1 ALA 88 1HB ALA 88 -5.645 -5.127 17.396 673 HB2 ALA 88 2HB ALA 88 -4.109 -5.113 16.529 674 HB3 ALA 88 3HB ALA 88 -4.222 -4.392 18.135 675 H SER 89 H SER 89 -6.065 -0.902 16.240 676 HA SER 89 HA SER 89 -6.599 -0.502 19.112 677 HB2 SER 89 1HB SER 89 -4.810 0.965 18.122 678 HB3 SER 89 2HB SER 89 -6.044 1.666 17.076 679 HG SER 89 HG SER 89 -6.414 1.589 19.865 680 H ALA 90 H ALA 90 -8.511 0.559 19.710 681 HA ALA 90 HA ALA 90 -10.686 0.205 17.812 682 HB1 ALA 90 1HB ALA 90 -11.446 -0.624 19.778 683 HB2 ALA 90 2HB ALA 90 -10.457 0.467 20.750 684 HB3 ALA 90 3HB ALA 90 -11.947 1.051 20.008 685 H ASP 91 H ASP 91 -8.572 2.592 18.285 686 HA ASP 91 HA ASP 91 -10.545 4.759 18.057 687 HB2 ASP 91 1HB ASP 91 -8.646 4.801 19.807 688 HB3 ASP 91 2HB ASP 91 -7.588 5.156 18.444 689 H ARG 92 H ARG 92 -10.018 2.992 15.868 690 HA ARG 92 HA ARG 92 -9.197 2.932 13.705 691 HB2 ARG 92 1HB ARG 92 -10.141 4.762 12.379 692 HB3 ARG 92 2HB ARG 92 -11.294 4.184 13.574 693 HG2 ARG 92 1HG ARG 92 -11.190 6.107 14.813 694 HG3 ARG 92 2HG ARG 92 -9.561 6.503 14.259 695 HD2 ARG 92 1HD ARG 92 -11.816 6.484 12.304 696 HD3 ARG 92 2HD ARG 92 -11.628 7.857 13.394 697 HE ARG 92 HE ARG 92 -10.019 7.239 11.117 698 HH11 ARG 92 2HH1 ARG 92 -9.987 8.723 14.267 699 HH12 ARG 92 1HH1 ARG 92 -8.666 9.781 13.899 700 HH21 ARG 92 2HH2 ARG 92 -8.279 8.628 10.621 701 HH22 ARG 92 1HH2 ARG 92 -7.696 9.727 11.824 702 H THR 93 H THR 93 -7.078 3.548 15.383 703 HA THR 93 HA THR 93 -5.691 5.904 14.647 704 HB THR 93 HB THR 93 -4.559 3.317 15.732 705 HG1 THR 93 1HG THR 93 -5.916 4.055 17.277 706 HG21 THR 93 1HG2 THR 93 -2.660 4.421 15.077 707 HG22 THR 93 2HG2 THR 93 -2.892 5.151 16.665 708 HG23 THR 93 3HG2 THR 93 -3.406 6.013 15.215 709 H VAL 94 H VAL 94 -4.002 6.226 13.205 710 HA VAL 94 HA VAL 94 -3.490 4.071 11.268 711 HB VAL 94 HB VAL 94 -4.233 6.925 10.668 712 HG11 VAL 94 1HG1 VAL 94 -3.610 6.447 8.312 713 HG12 VAL 94 2HG1 VAL 94 -2.226 6.519 9.406 714 HG13 VAL 94 3HG1 VAL 94 -2.838 4.958 8.858 715 HG21 VAL 94 1HG2 VAL 94 -5.887 4.925 10.829 716 HG22 VAL 94 2HG2 VAL 94 -6.010 6.049 9.474 717 HG23 VAL 94 3HG2 VAL 94 -5.226 4.485 9.254 718 H ILE 95 H ILE 95 -1.417 3.887 10.559 719 HA ILE 95 HA ILE 95 0.523 5.819 11.653 720 HB ILE 95 HB ILE 95 0.856 2.859 11.162 721 HG12 ILE 95 1HG1 ILE 95 0.933 4.532 13.683 722 HG13 ILE 95 2HG1 ILE 95 -0.332 3.396 13.226 723 HG21 ILE 95 1HG2 ILE 95 3.140 3.128 11.988 724 HG22 ILE 95 2HG2 ILE 95 2.878 4.059 10.514 725 HG23 ILE 95 3HG2 ILE 95 2.905 4.873 12.078 726 HD11 ILE 95 1HD1 ILE 95 1.911 1.838 13.147 727 HD12 ILE 95 2HD1 ILE 95 2.239 2.923 14.498 728 HD13 ILE 95 3HD1 ILE 95 0.774 1.941 14.491 729 H ASP 96 H ASP 96 2.156 6.568 10.351 730 HA ASP 96 HA ASP 96 1.707 6.311 7.498 731 HB2 ASP 96 1HB ASP 96 3.551 8.041 7.372 732 HB3 ASP 96 2HB ASP 96 2.106 8.536 8.250 733 H TYR 97 H TYR 97 2.948 5.221 6.086 734 HA TYR 97 HA TYR 97 5.168 3.654 7.191 735 HB2 TYR 97 1HB TYR 97 3.327 2.424 6.079 736 HB3 TYR 97 2HB TYR 97 3.673 3.287 4.585 737 HD1 TYR 97 1HD TYR 97 5.919 2.942 3.480 738 HD2 TYR 97 2HD TYR 97 4.535 0.487 6.669 739 HE1 TYR 97 1HE TYR 97 7.563 1.220 2.861 740 HE2 TYR 97 2HE TYR 97 6.175 -1.240 6.058 741 HH TYR 97 HH TYR 97 8.774 -0.742 4.220 742 H ASN 98 H ASN 98 7.047 4.701 6.995 743 HA ASN 98 HA ASN 98 7.707 5.854 4.366 744 HB2 ASN 98 1HB ASN 98 8.967 6.871 6.891 745 HB3 ASN 98 2HB ASN 98 8.772 7.684 5.341 746 HD21 ASN 98 1HD2 ASN 98 6.209 7.568 4.766 747 HD22 ASN 98 2HD2 ASN 98 5.240 8.309 5.990 748 H GLY 99 H GLY 99 8.426 3.525 4.115 749 HA2 GLY 99 1HA GLY 99 11.203 3.283 5.094 750 HA3 GLY 99 2HA GLY 99 10.123 1.899 5.015 751 H GLU 100 H GLU 100 11.530 0.780 3.633 752 HA GLU 100 HA GLU 100 12.472 1.859 1.182 753 HB2 GLU 100 1HB GLU 100 13.014 -0.509 0.627 754 HB3 GLU 100 2HB GLU 100 13.645 0.014 2.182 755 HG2 GLU 100 1HG GLU 100 11.357 -1.014 3.033 756 HG3 GLU 100 2HG GLU 100 11.529 -1.961 1.557 757 H ARG 101 H ARG 101 9.523 0.318 2.155 758 HA ARG 101 HA ARG 101 7.556 -0.050 1.072 759 HB2 ARG 101 1HB ARG 101 8.023 2.277 0.214 760 HB3 ARG 101 2HB ARG 101 8.719 1.534 -1.220 761 HG2 ARG 101 1HG ARG 101 6.409 0.309 -1.337 762 HG3 ARG 101 2HG ARG 101 5.879 1.665 -0.340 763 HD2 ARG 101 1HD ARG 101 5.501 2.177 -2.669 764 HD3 ARG 101 2HD ARG 101 6.773 3.220 -2.033 765 HE ARG 101 HE ARG 101 8.110 1.105 -3.119 766 HH11 ARG 101 2HH1 ARG 101 5.766 3.396 -4.293 767 HH12 ARG 101 1HH1 ARG 101 6.357 3.362 -5.922 768 HH21 ARG 101 2HH2 ARG 101 8.896 1.052 -5.259 769 HH22 ARG 101 1HH2 ARG 101 8.136 2.028 -6.470 770 H THR 102 H THR 102 9.475 -2.037 0.927 771 HA THR 102 HA THR 102 9.035 -3.131 -1.776 772 HB THR 102 HB THR 102 11.103 -4.372 -1.603 773 HG1 THR 102 1HG THR 102 12.458 -3.661 0.347 774 HG21 THR 102 1HG2 THR 102 11.103 -1.936 -2.338 775 HG22 THR 102 2HG2 THR 102 12.656 -2.604 -1.835 776 HG23 THR 102 3HG2 THR 102 11.748 -1.561 -0.741 777 H LEU 103 H LEU 103 8.933 -5.509 -1.870 778 HA LEU 103 HA LEU 103 6.967 -6.585 -0.282 779 HB2 LEU 103 1HB LEU 103 7.612 -7.577 -2.384 780 HB3 LEU 103 2HB LEU 103 9.195 -8.001 -1.735 781 HG LEU 103 HG LEU 103 8.132 -9.601 -0.209 782 HD11 LEU 103 1HD1 LEU 103 6.002 -9.120 0.308 783 HD12 LEU 103 2HD1 LEU 103 5.628 -10.067 -1.131 784 HD13 LEU 103 3HD1 LEU 103 5.703 -8.308 -1.229 785 HD21 LEU 103 1HD2 LEU 103 8.855 -10.154 -2.590 786 HD22 LEU 103 2HD2 LEU 103 7.138 -10.131 -2.993 787 HD23 LEU 103 3HD2 LEU 103 7.749 -11.280 -1.802 788 H ASP 104 H ASP 104 10.476 -7.079 0.058 789 HA ASP 104 HA ASP 104 10.228 -8.596 2.462 790 HB2 ASP 104 1HB ASP 104 12.480 -7.426 0.893 791 HB3 ASP 104 2HB ASP 104 12.784 -7.880 2.568 792 H GLY 105 H GLY 105 10.824 -5.206 1.712 793 HA2 GLY 105 1HA GLY 105 11.564 -4.348 4.285 794 HA3 GLY 105 2HA GLY 105 10.856 -3.333 3.037 795 H PHE 106 H PHE 106 8.396 -4.794 2.809 796 HA PHE 106 HA PHE 106 6.877 -3.477 4.773 797 HB2 PHE 106 1HB PHE 106 6.162 -5.747 2.909 798 HB3 PHE 106 2HB PHE 106 4.990 -4.906 3.920 799 HD1 PHE 106 2HD PHE 106 5.754 -2.128 3.689 800 HD2 PHE 106 1HD PHE 106 5.719 -5.181 0.723 801 HE1 PHE 106 2HE PHE 106 5.472 -0.421 1.940 802 HE2 PHE 106 1HE PHE 106 5.437 -3.479 -1.031 803 HZ PHE 106 HZ PHE 106 5.312 -1.095 -0.423 804 H LYS 107 H LYS 107 7.814 -6.884 4.445 805 HA LYS 107 HA LYS 107 6.449 -7.969 6.582 806 HB2 LYS 107 1HB LYS 107 9.274 -8.718 5.827 807 HB3 LYS 107 2HB LYS 107 8.060 -9.747 6.576 808 HG2 LYS 107 1HG LYS 107 6.702 -9.284 4.416 809 HG3 LYS 107 2HG LYS 107 8.267 -8.819 3.746 810 HD2 LYS 107 1HD LYS 107 9.028 -11.110 4.791 811 HD3 LYS 107 2HD LYS 107 7.308 -11.487 4.671 812 HE2 LYS 107 1HE LYS 107 8.641 -10.304 2.295 813 HE3 LYS 107 2HE LYS 107 9.009 -11.981 2.693 814 HZ1 LYS 107 1HZ LYS 107 7.079 -11.560 1.130 815 HZ2 LYS 107 2HZ LYS 107 6.226 -11.005 2.480 816 HZ3 LYS 107 3HZ LYS 107 6.786 -12.600 2.432 817 H LYS 108 H LYS 108 9.557 -6.280 6.585 818 HA LYS 108 HA LYS 108 10.215 -6.706 9.280 819 HB2 LYS 108 1HB LYS 108 10.918 -4.247 7.677 820 HB3 LYS 108 2HB LYS 108 11.811 -4.940 9.025 821 HG2 LYS 108 1HG LYS 108 11.914 -7.032 7.412 822 HG3 LYS 108 2HG LYS 108 11.701 -5.782 6.184 823 HD2 LYS 108 1HD LYS 108 13.613 -4.561 7.400 824 HD3 LYS 108 2HD LYS 108 13.930 -6.119 8.165 825 HE2 LYS 108 1HE LYS 108 13.937 -7.058 5.774 826 HE3 LYS 108 2HE LYS 108 14.088 -5.378 5.261 827 HZ1 LYS 108 1HZ LYS 108 15.985 -6.983 6.862 828 HZ2 LYS 108 2HZ LYS 108 16.053 -5.293 6.845 829 HZ3 LYS 108 3HZ LYS 108 16.265 -6.162 5.409 830 H PHE 109 H PHE 109 8.393 -4.105 7.708 831 HA PHE 109 HA PHE 109 8.005 -2.563 10.050 832 HB2 PHE 109 1HB PHE 109 7.749 -1.701 7.722 833 HB3 PHE 109 2HB PHE 109 6.267 -2.640 7.576 834 HD1 PHE 109 1HD PHE 109 4.379 -2.138 9.206 835 HD2 PHE 109 2HD PHE 109 7.717 0.439 8.633 836 HE1 PHE 109 1HE PHE 109 3.099 -0.271 10.172 837 HE2 PHE 109 2HE PHE 109 6.444 2.309 9.599 838 HZ PHE 109 HZ PHE 109 4.132 1.956 10.371 839 H LEU 110 H LEU 110 6.079 -5.067 8.465 840 HA LEU 110 HA LEU 110 3.855 -4.852 10.227 841 HB2 LEU 110 1HB LEU 110 4.744 -7.105 8.433 842 HB3 LEU 110 2HB LEU 110 3.196 -7.043 9.274 843 HG LEU 110 HG LEU 110 4.043 -4.966 7.267 844 HD11 LEU 110 1HD1 LEU 110 2.568 -7.553 6.837 845 HD12 LEU 110 2HD1 LEU 110 4.048 -7.005 6.051 846 HD13 LEU 110 3HD1 LEU 110 2.518 -6.201 5.705 847 HD21 LEU 110 1HD2 LEU 110 2.235 -4.439 8.910 848 HD22 LEU 110 2HD2 LEU 110 1.305 -5.774 8.229 849 HD23 LEU 110 3HD2 LEU 110 1.728 -4.389 7.221 850 H GLU 111 H GLU 111 6.251 -7.479 9.895 851 HA GLU 111 HA GLU 111 5.693 -9.027 12.019 852 HB2 GLU 111 1HB GLU 111 8.378 -8.136 10.993 853 HB3 GLU 111 2HB GLU 111 8.233 -9.310 12.293 854 HG2 GLU 111 1HG GLU 111 6.615 -10.485 10.568 855 HG3 GLU 111 2HG GLU 111 7.588 -9.577 9.412 856 H SER 112 H SER 112 7.282 -5.888 12.161 857 HA SER 112 HA SER 112 7.943 -5.980 14.915 858 HB2 SER 112 1HB SER 112 7.645 -3.731 12.931 859 HB3 SER 112 2HB SER 112 8.022 -3.422 14.626 860 HG SER 112 HG SER 112 9.996 -4.014 14.252 861 H GLY 113 H GLY 113 5.165 -4.678 13.138 862 HA2 GLY 113 1HA GLY 113 2.962 -4.880 14.140 863 HA3 GLY 113 2HA GLY 113 3.709 -4.577 15.702 864 H GLY 114 H GLY 114 4.527 -2.755 12.826 865 HA2 GLY 114 1HA GLY 114 4.004 -0.594 12.190 866 HA3 GLY 114 2HA GLY 114 2.724 -0.591 13.394 867 H GLN 115 H GLN 115 6.251 -0.998 13.657 868 HA GLN 115 HA GLN 115 6.250 1.006 15.787 869 HB2 GLN 115 1HB GLN 115 8.307 -1.027 14.921 870 HB3 GLN 115 2HB GLN 115 8.600 0.177 16.169 871 HG2 GLN 115 1HG GLN 115 6.275 -1.698 16.351 872 HG3 GLN 115 2HG GLN 115 7.887 -2.188 16.869 873 HE21 GLN 115 1HE2 GLN 115 8.942 -0.232 18.185 874 HE22 GLN 115 2HE2 GLN 115 7.964 0.303 19.504 875 H SER 116 H SER 116 7.170 2.959 15.590 876 HA SER 116 HA SER 116 8.086 3.784 12.979 877 HB2 SER 116 1HB SER 116 6.601 5.201 14.424 878 HB3 SER 116 2HB SER 116 7.963 5.418 15.523 879 HG SER 116 HG SER 116 8.487 7.004 14.259 880 H GLY 117 H GLY 117 9.465 4.107 16.260 881 HA2 GLY 117 1HA GLY 117 11.932 2.988 15.808 882 HA3 GLY 117 2HA GLY 117 12.087 4.646 15.245 883 HA PRO 118 HA PRO 118 13.197 4.670 19.710 884 HB2 PRO 118 1HB PRO 118 15.210 6.467 19.420 885 HB3 PRO 118 2HB PRO 118 15.430 4.731 19.173 886 HG2 PRO 118 1HG PRO 118 15.018 6.895 17.146 887 HG3 PRO 118 2HG PRO 118 16.146 5.527 17.109 888 HD2 PRO 118 1HD PRO 118 13.805 5.522 15.748 889 HD3 PRO 118 2HD PRO 118 14.522 4.044 16.421 890 H SER 119 H SER 119 11.951 5.894 20.966 891 HA SER 119 HA SER 119 11.200 8.579 20.052 892 HB2 SER 119 1HB SER 119 9.306 8.427 21.514 893 HB3 SER 119 2HB SER 119 9.412 6.896 20.647 894 HG SER 119 HG SER 119 9.077 6.509 22.841 895 H SER 120 H SER 120 12.462 6.845 22.869 896 HA SER 120 HA SER 120 13.041 9.384 24.198 897 HB2 SER 120 1HB SER 120 13.461 8.089 26.182 898 HB3 SER 120 2HB SER 120 11.974 7.482 25.455 899 HG SER 120 HG SER 120 14.317 6.197 25.912 900 H GLY 121 H GLY 121 14.525 8.936 21.889 901 HA2 GLY 121 1HA GLY 121 17.143 7.974 22.774 902 HA3 GLY 121 2HA GLY 121 16.689 8.372 21.124 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -14.037 -17.172 11.971 2 HA2 GLY 1 1HA GLY 1 -15.563 -15.392 11.390 3 HA3 GLY 1 2HA GLY 1 -13.972 -14.668 11.571 4 H SER 2 H SER 2 -12.741 -14.192 9.683 5 HA SER 2 HA SER 2 -14.161 -14.333 7.131 6 HB2 SER 2 1HB SER 2 -13.441 -11.829 8.597 7 HB3 SER 2 2HB SER 2 -13.318 -11.841 6.838 8 HG SER 2 HG SER 2 -15.476 -11.464 8.246 9 H SER 3 H SER 3 -12.790 -15.289 5.794 10 HA SER 3 HA SER 3 -10.001 -14.379 5.738 11 HB2 SER 3 1HB SER 3 -10.195 -16.533 7.032 12 HB3 SER 3 2HB SER 3 -10.778 -17.297 5.554 13 HG SER 3 HG SER 3 -8.667 -16.197 4.728 14 H GLY 4 H GLY 4 -9.471 -13.742 3.761 15 HA2 GLY 4 1HA GLY 4 -11.095 -14.680 1.500 16 HA3 GLY 4 2HA GLY 4 -10.111 -13.224 1.522 17 H SER 5 H SER 5 -9.894 -16.764 1.577 18 HA SER 5 HA SER 5 -7.132 -16.867 0.946 19 HB2 SER 5 1HB SER 5 -7.494 -19.239 0.549 20 HB3 SER 5 2HB SER 5 -8.393 -18.745 1.984 21 HG SER 5 HG SER 5 -9.331 -19.472 -0.552 22 H SER 6 H SER 6 -10.064 -17.172 -1.030 23 HA SER 6 HA SER 6 -9.151 -17.853 -3.465 24 HB2 SER 6 1HB SER 6 -10.880 -16.384 -4.459 25 HB3 SER 6 2HB SER 6 -11.491 -17.275 -3.065 26 HG SER 6 HG SER 6 -11.536 -14.682 -3.430 27 H GLY 7 H GLY 7 -8.705 -14.705 -1.935 28 HA2 GLY 7 1HA GLY 7 -6.876 -13.988 -4.144 29 HA3 GLY 7 2HA GLY 7 -7.856 -12.809 -3.286 30 HA PRO 8 HA PRO 8 -3.588 -13.697 -1.251 31 HB2 PRO 8 1HB PRO 8 -2.040 -11.838 -2.482 32 HB3 PRO 8 2HB PRO 8 -2.193 -13.499 -3.066 33 HG2 PRO 8 1HG PRO 8 -3.574 -11.022 -4.023 34 HG3 PRO 8 2HG PRO 8 -2.857 -12.339 -4.968 35 HD2 PRO 8 1HD PRO 8 -5.520 -12.151 -4.518 36 HD3 PRO 8 2HD PRO 8 -4.687 -13.710 -4.681 37 H VAL 9 H VAL 9 -4.603 -10.508 -2.498 38 HA VAL 9 HA VAL 9 -4.371 -9.464 0.250 39 HB VAL 9 HB VAL 9 -2.779 -8.233 -0.887 40 HG11 VAL 9 1HG1 VAL 9 -4.597 -7.978 -3.277 41 HG12 VAL 9 2HG1 VAL 9 -2.901 -7.505 -3.165 42 HG13 VAL 9 3HG1 VAL 9 -3.348 -9.210 -3.109 43 HG21 VAL 9 1HG2 VAL 9 -4.976 -6.918 -0.030 44 HG22 VAL 9 2HG2 VAL 9 -3.520 -6.119 -0.624 45 HG23 VAL 9 3HG2 VAL 9 -4.897 -6.355 -1.700 46 H LYS 10 H LYS 10 -6.083 -8.433 1.128 47 HA LYS 10 HA LYS 10 -8.645 -8.761 -0.040 48 HB2 LYS 10 1HB LYS 10 -7.784 -8.427 2.490 49 HB3 LYS 10 2HB LYS 10 -8.316 -6.786 2.146 50 HG2 LYS 10 1HG LYS 10 -10.151 -9.025 1.482 51 HG3 LYS 10 2HG LYS 10 -9.942 -8.580 3.177 52 HD2 LYS 10 1HD LYS 10 -10.397 -6.181 2.412 53 HD3 LYS 10 2HD LYS 10 -10.975 -6.901 0.908 54 HE2 LYS 10 1HE LYS 10 -12.390 -8.392 2.540 55 HE3 LYS 10 2HE LYS 10 -12.120 -7.056 3.658 56 HZ1 LYS 10 1HZ LYS 10 -12.881 -5.750 1.458 57 HZ2 LYS 10 2HZ LYS 10 -13.946 -6.233 2.679 58 HZ3 LYS 10 3HZ LYS 10 -13.776 -7.175 1.285 59 H VAL 11 H VAL 11 -10.117 -7.198 -0.777 60 HA VAL 11 HA VAL 11 -8.854 -4.713 -1.734 61 HB VAL 11 HB VAL 11 -11.178 -6.225 -2.935 62 HG11 VAL 11 1HG1 VAL 11 -10.131 -3.515 -3.343 63 HG12 VAL 11 2HG1 VAL 11 -10.357 -4.449 -4.823 64 HG13 VAL 11 3HG1 VAL 11 -11.714 -4.192 -3.726 65 HG21 VAL 11 1HG2 VAL 11 -9.691 -7.377 -4.114 66 HG22 VAL 11 2HG2 VAL 11 -8.949 -5.884 -4.691 67 HG23 VAL 11 3HG2 VAL 11 -8.395 -6.620 -3.187 68 H LEU 12 H LEU 12 -9.384 -3.209 -0.244 69 HA LEU 12 HA LEU 12 -12.004 -3.132 0.965 70 HB2 LEU 12 1HB LEU 12 -9.958 -0.953 1.162 71 HB3 LEU 12 2HB LEU 12 -11.184 -1.430 2.335 72 HG LEU 12 HG LEU 12 -8.945 -3.300 1.670 73 HD11 LEU 12 1HD1 LEU 12 -8.084 -2.072 3.938 74 HD12 LEU 12 2HD1 LEU 12 -8.721 -0.709 3.018 75 HD13 LEU 12 3HD1 LEU 12 -7.474 -1.740 2.317 76 HD21 LEU 12 1HD2 LEU 12 -9.767 -3.087 4.423 77 HD22 LEU 12 2HD2 LEU 12 -9.796 -4.484 3.347 78 HD23 LEU 12 3HD2 LEU 12 -11.157 -3.362 3.373 79 H VAL 13 H VAL 13 -13.552 -1.513 0.712 80 HA VAL 13 HA VAL 13 -13.206 0.233 -1.637 81 HB VAL 13 HB VAL 13 -15.676 -0.057 -2.046 82 HG11 VAL 13 1HG1 VAL 13 -13.879 -2.462 -2.337 83 HG12 VAL 13 2HG1 VAL 13 -15.407 -2.237 -3.190 84 HG13 VAL 13 3HG1 VAL 13 -14.063 -1.132 -3.480 85 HG21 VAL 13 1HG2 VAL 13 -15.962 -2.653 -0.938 86 HG22 VAL 13 2HG2 VAL 13 -15.471 -1.562 0.358 87 HG23 VAL 13 3HG2 VAL 13 -16.909 -1.204 -0.598 88 H GLY 14 H GLY 14 -14.671 2.116 -1.652 89 HA2 GLY 14 1HA GLY 14 -14.537 3.532 0.785 90 HA3 GLY 14 2HA GLY 14 -15.412 4.045 -0.651 91 H LYS 15 H LYS 15 -16.703 1.160 -0.153 92 HA LYS 15 HA LYS 15 -18.980 2.272 1.277 93 HB2 LYS 15 1HB LYS 15 -19.289 0.995 -0.838 94 HB3 LYS 15 2HB LYS 15 -18.671 -0.438 -0.028 95 HG2 LYS 15 1HG LYS 15 -20.537 -0.336 1.558 96 HG3 LYS 15 2HG LYS 15 -21.164 1.081 0.713 97 HD2 LYS 15 1HD LYS 15 -20.681 -1.547 -0.670 98 HD3 LYS 15 2HD LYS 15 -22.211 -1.156 0.118 99 HE2 LYS 15 1HE LYS 15 -22.302 0.908 -1.308 100 HE3 LYS 15 2HE LYS 15 -20.907 0.283 -2.186 101 HZ1 LYS 15 1HZ LYS 15 -22.931 -1.692 -1.986 102 HZ2 LYS 15 2HZ LYS 15 -22.218 -1.031 -3.370 103 HZ3 LYS 15 3HZ LYS 15 -23.561 -0.278 -2.669 104 H ASN 16 H ASN 16 -16.682 -0.407 1.572 105 HA ASN 16 HA ASN 16 -17.403 -0.596 4.418 106 HB2 ASN 16 1HB ASN 16 -17.248 -2.995 4.365 107 HB3 ASN 16 2HB ASN 16 -18.357 -2.500 3.089 108 HD21 ASN 16 1HD2 ASN 16 -15.249 -3.841 3.830 109 HD22 ASN 16 2HD2 ASN 16 -14.871 -4.379 2.232 110 H PHE 17 H PHE 17 -15.298 0.927 3.301 111 HA PHE 17 HA PHE 17 -12.826 -0.468 3.392 112 HB2 PHE 17 1HB PHE 17 -12.592 1.503 2.233 113 HB3 PHE 17 2HB PHE 17 -13.667 2.389 3.309 114 HD1 PHE 17 2HD PHE 17 -10.341 0.702 3.363 115 HD2 PHE 17 1HD PHE 17 -12.744 3.940 4.725 116 HE1 PHE 17 2HE PHE 17 -8.390 1.662 4.514 117 HE2 PHE 17 1HE PHE 17 -10.796 4.906 5.877 118 HZ PHE 17 HZ PHE 17 -8.616 3.766 5.773 119 H GLU 18 H GLU 18 -14.112 1.976 5.655 120 HA GLU 18 HA GLU 18 -12.266 1.433 7.698 121 HB2 GLU 18 1HB GLU 18 -14.977 2.742 7.694 122 HB3 GLU 18 2HB GLU 18 -14.041 2.562 9.171 123 HG2 GLU 18 1HG GLU 18 -12.258 3.893 8.268 124 HG3 GLU 18 2HG GLU 18 -13.059 3.970 6.700 125 H ASP 19 H ASP 19 -15.038 -0.274 6.670 126 HA ASP 19 HA ASP 19 -15.771 -1.502 9.118 127 HB2 ASP 19 1HB ASP 19 -16.332 -1.988 6.232 128 HB3 ASP 19 2HB ASP 19 -16.645 -3.304 7.360 129 H VAL 20 H VAL 20 -13.554 -2.407 6.519 130 HA VAL 20 HA VAL 20 -12.782 -4.824 7.973 131 HB VAL 20 HB VAL 20 -11.788 -3.881 5.283 132 HG11 VAL 20 1HG1 VAL 20 -10.412 -5.619 5.374 133 HG12 VAL 20 2HG1 VAL 20 -10.975 -5.973 7.009 134 HG13 VAL 20 3HG1 VAL 20 -11.779 -6.706 5.620 135 HG21 VAL 20 1HG2 VAL 20 -13.901 -5.967 5.750 136 HG22 VAL 20 2HG2 VAL 20 -14.294 -4.272 5.459 137 HG23 VAL 20 3HG2 VAL 20 -13.433 -5.201 4.232 138 H ALA 21 H ALA 21 -11.355 -1.841 6.690 139 HA ALA 21 HA ALA 21 -8.711 -2.239 7.397 140 HB1 ALA 21 1HB ALA 21 -8.835 -0.326 6.217 141 HB2 ALA 21 2HB ALA 21 -10.414 0.104 6.877 142 HB3 ALA 21 3HB ALA 21 -8.952 0.417 7.813 143 H PHE 22 H PHE 22 -11.055 -0.341 9.309 144 HA PHE 22 HA PHE 22 -9.388 -0.451 11.641 145 HB2 PHE 22 1HB PHE 22 -12.196 0.566 11.185 146 HB3 PHE 22 2HB PHE 22 -11.376 0.660 12.740 147 HD1 PHE 22 2HD PHE 22 -8.650 1.384 11.939 148 HD2 PHE 22 1HD PHE 22 -12.404 2.758 10.477 149 HE1 PHE 22 2HE PHE 22 -7.605 3.505 11.259 150 HE2 PHE 22 1HE PHE 22 -11.365 4.881 9.794 151 HZ PHE 22 HZ PHE 22 -8.963 5.257 10.186 152 H ASP 23 H ASP 23 -9.130 -2.515 12.366 153 HA ASP 23 HA ASP 23 -11.522 -3.788 13.485 154 HB2 ASP 23 1HB ASP 23 -10.428 -6.027 12.786 155 HB3 ASP 23 2HB ASP 23 -11.295 -5.103 11.563 156 H GLU 24 H GLU 24 -11.197 -3.917 15.598 157 HA GLU 24 HA GLU 24 -8.735 -3.602 16.881 158 HB2 GLU 24 1HB GLU 24 -10.690 -3.139 18.132 159 HB3 GLU 24 2HB GLU 24 -11.370 -4.727 17.806 160 HG2 GLU 24 1HG GLU 24 -10.001 -5.776 19.347 161 HG3 GLU 24 2HG GLU 24 -8.823 -4.465 19.342 162 H LYS 25 H LYS 25 -7.344 -5.044 17.907 163 HA LYS 25 HA LYS 25 -6.107 -6.940 18.128 164 HB2 LYS 25 1HB LYS 25 -8.882 -8.088 17.938 165 HB3 LYS 25 2HB LYS 25 -7.473 -9.126 18.114 166 HG2 LYS 25 1HG LYS 25 -8.070 -6.887 20.023 167 HG3 LYS 25 2HG LYS 25 -8.715 -8.517 20.231 168 HD2 LYS 25 1HD LYS 25 -5.792 -8.207 19.773 169 HD3 LYS 25 2HD LYS 25 -6.440 -7.769 21.356 170 HE2 LYS 25 1HE LYS 25 -5.828 -10.028 21.550 171 HE3 LYS 25 2HE LYS 25 -7.578 -10.045 21.341 172 HZ1 LYS 25 1HZ LYS 25 -5.724 -10.374 19.059 173 HZ2 LYS 25 2HZ LYS 25 -7.371 -10.755 19.135 174 HZ3 LYS 25 3HZ LYS 25 -6.246 -11.691 19.984 175 H LYS 26 H LYS 26 -6.506 -5.765 15.485 176 HA LYS 26 HA LYS 26 -5.464 -7.972 13.931 177 HB2 LYS 26 1HB LYS 26 -7.759 -8.313 13.416 178 HB3 LYS 26 2HB LYS 26 -8.049 -6.588 13.231 179 HG2 LYS 26 1HG LYS 26 -7.999 -7.301 11.048 180 HG3 LYS 26 2HG LYS 26 -6.333 -6.772 11.291 181 HD2 LYS 26 1HD LYS 26 -6.227 -8.869 10.185 182 HD3 LYS 26 2HD LYS 26 -5.778 -9.163 11.867 183 HE2 LYS 26 1HE LYS 26 -7.313 -10.876 10.988 184 HE3 LYS 26 2HE LYS 26 -8.000 -9.992 12.349 185 HZ1 LYS 26 1HZ LYS 26 -9.518 -8.945 11.024 186 HZ2 LYS 26 2HZ LYS 26 -9.393 -10.419 10.206 187 HZ3 LYS 26 3HZ LYS 26 -8.571 -9.059 9.627 188 H ASN 27 H ASN 27 -3.696 -7.183 13.018 189 HA ASN 27 HA ASN 27 -3.451 -4.324 12.538 190 HB2 ASN 27 1HB ASN 27 -1.387 -6.500 12.138 191 HB3 ASN 27 2HB ASN 27 -1.094 -4.764 12.178 192 HD21 ASN 27 1HD2 ASN 27 -1.783 -7.601 14.042 193 HD22 ASN 27 2HD2 ASN 27 -1.463 -6.910 15.593 194 H VAL 28 H VAL 28 -4.611 -3.830 10.728 195 HA VAL 28 HA VAL 28 -4.143 -5.379 8.288 196 HB VAL 28 HB VAL 28 -6.125 -3.154 8.789 197 HG11 VAL 28 1HG1 VAL 28 -6.258 -5.122 6.540 198 HG12 VAL 28 2HG1 VAL 28 -6.997 -3.526 6.676 199 HG13 VAL 28 3HG1 VAL 28 -5.261 -3.675 6.399 200 HG21 VAL 28 1HG2 VAL 28 -7.772 -5.081 8.675 201 HG22 VAL 28 2HG2 VAL 28 -6.385 -6.149 8.889 202 HG23 VAL 28 3HG2 VAL 28 -6.792 -4.972 10.137 203 H PHE 29 H PHE 29 -3.028 -4.618 6.585 204 HA PHE 29 HA PHE 29 -1.949 -1.886 6.792 205 HB2 PHE 29 1HB PHE 29 -0.273 -3.719 6.917 206 HB3 PHE 29 2HB PHE 29 -0.771 -4.247 5.313 207 HD1 PHE 29 1HD PHE 29 -0.865 -0.708 5.740 208 HD2 PHE 29 2HD PHE 29 1.707 -3.973 4.824 209 HE1 PHE 29 1HE PHE 29 0.748 0.851 4.729 210 HE2 PHE 29 2HE PHE 29 3.324 -2.420 3.812 211 HZ PHE 29 HZ PHE 29 2.847 -0.005 3.764 212 H VAL 30 H VAL 30 -3.338 -0.673 5.616 213 HA VAL 30 HA VAL 30 -4.383 -1.601 3.086 214 HB VAL 30 HB VAL 30 -4.624 1.161 4.278 215 HG11 VAL 30 1HG1 VAL 30 -5.900 -0.278 2.005 216 HG12 VAL 30 2HG1 VAL 30 -6.855 0.898 2.910 217 HG13 VAL 30 3HG1 VAL 30 -5.359 1.396 2.119 218 HG21 VAL 30 1HG2 VAL 30 -6.142 -1.358 4.818 219 HG22 VAL 30 2HG2 VAL 30 -5.552 -0.144 5.952 220 HG23 VAL 30 3HG2 VAL 30 -6.948 0.206 4.934 221 H GLU 31 H GLU 31 -4.095 -0.473 1.077 222 HA GLU 31 HA GLU 31 -1.667 1.166 0.900 223 HB2 GLU 31 1HB GLU 31 -0.777 -0.893 0.251 224 HB3 GLU 31 2HB GLU 31 -2.254 -1.383 -0.567 225 HG2 GLU 31 1HG GLU 31 -1.778 0.459 -2.235 226 HG3 GLU 31 2HG GLU 31 -0.181 0.575 -1.499 227 H PHE 32 H PHE 32 -2.514 3.057 0.269 228 HA PHE 32 HA PHE 32 -4.741 3.189 -1.560 229 HB2 PHE 32 1HB PHE 32 -3.033 5.364 -0.335 230 HB3 PHE 32 2HB PHE 32 -4.468 5.650 -1.314 231 HD1 PHE 32 1HD PHE 32 -6.691 4.979 -0.472 232 HD2 PHE 32 2HD PHE 32 -3.196 4.737 1.945 233 HE1 PHE 32 1HE PHE 32 -8.098 4.822 1.541 234 HE2 PHE 32 2HE PHE 32 -4.597 4.579 3.961 235 HZ PHE 32 HZ PHE 32 -7.051 4.621 3.761 236 H TYR 33 H TYR 33 -4.201 2.532 -3.578 237 HA TYR 33 HA TYR 33 -1.857 3.773 -4.848 238 HB2 TYR 33 1HB TYR 33 -1.884 1.950 -6.432 239 HB3 TYR 33 2HB TYR 33 -1.945 1.282 -4.805 240 HD1 TYR 33 2HD TYR 33 -4.054 2.110 -7.747 241 HD2 TYR 33 1HD TYR 33 -3.688 -0.156 -4.165 242 HE1 TYR 33 2HE TYR 33 -6.071 0.840 -8.352 243 HE2 TYR 33 1HE TYR 33 -5.703 -1.434 -4.760 244 HH TYR 33 HH TYR 33 -7.833 -0.480 -7.191 245 H ALA 34 H ALA 34 -2.181 4.038 -7.309 246 HA ALA 34 HA ALA 34 -4.859 5.145 -7.842 247 HB1 ALA 34 1HB ALA 34 -2.520 6.474 -9.086 248 HB2 ALA 34 2HB ALA 34 -4.056 7.151 -8.545 249 HB3 ALA 34 3HB ALA 34 -2.802 6.762 -7.368 250 HA PRO 35 HA PRO 35 -4.681 2.583 -11.437 251 HB2 PRO 35 1HB PRO 35 -6.750 3.705 -12.791 252 HB3 PRO 35 2HB PRO 35 -6.977 2.644 -11.395 253 HG2 PRO 35 1HG PRO 35 -7.031 5.634 -11.530 254 HG3 PRO 35 2HG PRO 35 -8.114 4.534 -10.658 255 HD2 PRO 35 1HD PRO 35 -6.099 5.868 -9.436 256 HD3 PRO 35 2HD PRO 35 -6.632 4.257 -8.914 257 H TRP 36 H TRP 36 -3.892 5.843 -11.321 258 HA TRP 36 HA TRP 36 -3.046 5.808 -14.144 259 HB2 TRP 36 1HB TRP 36 -3.110 8.439 -13.687 260 HB3 TRP 36 2HB TRP 36 -4.522 7.550 -14.250 261 HD1 TRP 36 HD TRP 36 -6.572 7.333 -12.603 262 HE1 TRP 36 1HE TRP 36 -7.147 8.451 -10.357 263 HE3 TRP 36 3HE TRP 36 -1.996 9.326 -11.492 264 HZ2 TRP 36 2HZ TRP 36 -5.835 9.975 -8.376 265 HZ3 TRP 36 3HZ TRP 36 -1.741 10.600 -9.403 266 HH2 TRP 36 HH TRP 36 -3.622 10.918 -7.879 267 H CYS 37 H CYS 37 -2.103 5.972 -10.906 268 HA CYS 37 HA CYS 37 0.274 7.528 -11.222 269 HB2 CYS 37 1HB CYS 37 -0.708 7.383 -9.034 270 HB3 CYS 37 2HB CYS 37 -0.636 5.625 -9.060 271 HG CYS 37 HG CYS 37 1.290 6.349 -7.271 272 H GLY 38 H GLY 38 1.972 6.894 -12.370 273 HA2 GLY 38 1HA GLY 38 2.419 4.333 -13.364 274 HA3 GLY 38 2HA GLY 38 3.647 5.583 -13.231 275 H HIS 39 H HIS 39 3.662 5.839 -10.415 276 HA HIS 39 HA HIS 39 5.525 3.895 -9.701 277 HB2 HIS 39 1HB HIS 39 3.967 5.961 -8.233 278 HB3 HIS 39 2HB HIS 39 4.736 4.699 -7.275 279 HD1 HIS 39 1HD HIS 39 6.560 6.107 -6.244 280 HD2 HIS 39 2HD HIS 39 6.476 6.352 -10.391 281 HE1 HIS 39 1HE HIS 39 8.657 7.337 -6.888 282 HE2 HIS 39 2HE HIS 39 8.542 7.548 -9.395 283 H CYS 40 H CYS 40 2.041 3.986 -9.275 284 HA CYS 40 HA CYS 40 1.804 1.841 -7.471 285 HB2 CYS 40 1HB CYS 40 -0.159 3.035 -7.620 286 HB3 CYS 40 2HB CYS 40 -0.030 3.235 -9.364 287 HG CYS 40 HG CYS 40 -2.312 1.692 -8.636 288 H LYS 41 H LYS 41 1.652 1.941 -11.018 289 HA LYS 41 HA LYS 41 1.005 -0.629 -11.634 290 HB2 LYS 41 1HB LYS 41 2.942 1.276 -12.915 291 HB3 LYS 41 2HB LYS 41 2.696 -0.332 -13.582 292 HG2 LYS 41 1HG LYS 41 1.121 0.710 -14.796 293 HG3 LYS 41 2HG LYS 41 0.140 0.469 -13.349 294 HD2 LYS 41 1HD LYS 41 1.217 2.767 -12.644 295 HD3 LYS 41 2HD LYS 41 1.430 2.948 -14.387 296 HE2 LYS 41 1HE LYS 41 -1.212 2.199 -13.167 297 HE3 LYS 41 2HE LYS 41 -0.714 3.879 -13.361 298 HZ1 LYS 41 1HZ LYS 41 -0.255 2.671 -15.795 299 HZ2 LYS 41 2HZ LYS 41 -1.492 3.760 -15.417 300 HZ3 LYS 41 3HZ LYS 41 -1.766 2.095 -15.296 301 H GLN 42 H GLN 42 3.953 0.499 -10.187 302 HA GLN 42 HA GLN 42 5.311 -2.039 -10.597 303 HB2 GLN 42 1HB GLN 42 6.147 0.503 -9.196 304 HB3 GLN 42 2HB GLN 42 7.155 -0.934 -9.301 305 HG2 GLN 42 1HG GLN 42 6.072 0.231 -11.812 306 HG3 GLN 42 2HG GLN 42 7.408 1.048 -11.002 307 HE21 GLN 42 1HE2 GLN 42 8.074 0.282 -13.358 308 HE22 GLN 42 2HE2 GLN 42 8.998 -1.178 -13.373 309 H LEU 43 H LEU 43 3.538 -0.346 -8.135 310 HA LEU 43 HA LEU 43 4.407 -2.036 -5.976 311 HB2 LEU 43 1HB LEU 43 3.514 0.396 -5.894 312 HB3 LEU 43 2HB LEU 43 1.925 -0.364 -5.923 313 HG LEU 43 HG LEU 43 2.527 -1.592 -3.853 314 HD11 LEU 43 1HD1 LEU 43 4.611 -0.026 -2.852 315 HD12 LEU 43 2HD1 LEU 43 5.120 -0.513 -4.468 316 HD13 LEU 43 3HD1 LEU 43 4.665 -1.736 -3.281 317 HD21 LEU 43 1HD2 LEU 43 2.682 1.417 -3.768 318 HD22 LEU 43 2HD2 LEU 43 2.412 0.389 -2.361 319 HD23 LEU 43 3HD2 LEU 43 1.229 0.422 -3.670 320 H ALA 44 H ALA 44 1.881 -2.068 -8.347 321 HA ALA 44 HA ALA 44 -0.127 -3.547 -7.279 322 HB1 ALA 44 1HB ALA 44 0.498 -4.707 -9.817 323 HB2 ALA 44 2HB ALA 44 -0.796 -3.586 -9.393 324 HB3 ALA 44 3HB ALA 44 0.783 -2.967 -9.878 325 HA PRO 45 HA PRO 45 2.285 -7.676 -8.028 326 HB2 PRO 45 1HB PRO 45 4.945 -7.472 -8.532 327 HB3 PRO 45 2HB PRO 45 3.723 -7.470 -9.809 328 HG2 PRO 45 1HG PRO 45 5.155 -5.160 -8.554 329 HG3 PRO 45 2HG PRO 45 4.788 -5.454 -10.264 330 HD2 PRO 45 1HD PRO 45 3.323 -3.773 -8.727 331 HD3 PRO 45 2HD PRO 45 2.614 -4.716 -10.053 332 H ILE 46 H ILE 46 4.570 -5.248 -6.746 333 HA ILE 46 HA ILE 46 5.673 -6.816 -4.729 334 HB ILE 46 HB ILE 46 5.230 -3.830 -4.629 335 HG12 ILE 46 1HG1 ILE 46 7.810 -5.065 -5.477 336 HG13 ILE 46 2HG1 ILE 46 6.492 -5.022 -6.643 337 HG21 ILE 46 1HG2 ILE 46 5.864 -4.832 -2.483 338 HG22 ILE 46 2HG2 ILE 46 7.276 -5.559 -3.246 339 HG23 ILE 46 3HG2 ILE 46 7.143 -3.805 -3.129 340 HD11 ILE 46 1HD1 ILE 46 7.276 -3.008 -7.168 341 HD12 ILE 46 2HD1 ILE 46 6.503 -2.466 -5.678 342 HD13 ILE 46 3HD1 ILE 46 8.216 -2.885 -5.682 343 H TRP 47 H TRP 47 2.626 -5.152 -4.873 344 HA TRP 47 HA TRP 47 2.143 -5.428 -2.023 345 HB2 TRP 47 1HB TRP 47 1.349 -3.464 -3.446 346 HB3 TRP 47 2HB TRP 47 0.147 -4.565 -4.114 347 HD1 TRP 47 HD TRP 47 -2.097 -4.555 -2.892 348 HE1 TRP 47 1HE TRP 47 -2.926 -3.855 -0.558 349 HE3 TRP 47 3HE TRP 47 2.388 -3.318 -0.774 350 HZ2 TRP 47 2HZ TRP 47 -1.825 -2.905 1.860 351 HZ3 TRP 47 3HZ TRP 47 2.413 -2.522 1.554 352 HH2 TRP 47 HH TRP 47 0.349 -2.319 2.842 353 H ASP 48 H ASP 48 1.270 -6.995 -5.024 354 HA ASP 48 HA ASP 48 -0.784 -8.632 -3.858 355 HB2 ASP 48 1HB ASP 48 0.452 -8.305 -6.525 356 HB3 ASP 48 2HB ASP 48 -0.173 -9.912 -6.165 357 H LYS 49 H LYS 49 2.625 -8.755 -4.056 358 HA LYS 49 HA LYS 49 2.784 -11.634 -3.718 359 HB2 LYS 49 1HB LYS 49 4.808 -9.425 -3.950 360 HB3 LYS 49 2HB LYS 49 5.287 -11.026 -3.402 361 HG2 LYS 49 1HG LYS 49 4.953 -11.982 -5.447 362 HG3 LYS 49 2HG LYS 49 3.716 -10.813 -5.915 363 HD2 LYS 49 1HD LYS 49 5.609 -10.337 -7.252 364 HD3 LYS 49 2HD LYS 49 5.565 -9.088 -6.005 365 HE2 LYS 49 1HE LYS 49 7.781 -9.675 -5.937 366 HE3 LYS 49 2HE LYS 49 7.120 -10.764 -4.718 367 HZ1 LYS 49 1HZ LYS 49 8.555 -12.000 -6.140 368 HZ2 LYS 49 2HZ LYS 49 7.785 -11.428 -7.532 369 HZ3 LYS 49 3HZ LYS 49 6.968 -12.476 -6.484 370 H LEU 50 H LEU 50 2.860 -8.747 -1.782 371 HA LEU 50 HA LEU 50 3.894 -10.090 0.560 372 HB2 LEU 50 1HB LEU 50 4.550 -7.920 0.663 373 HB3 LEU 50 2HB LEU 50 3.112 -7.333 -0.171 374 HG LEU 50 HG LEU 50 1.884 -7.860 2.036 375 HD11 LEU 50 1HD1 LEU 50 3.293 -9.017 3.399 376 HD12 LEU 50 2HD1 LEU 50 3.663 -7.378 3.932 377 HD13 LEU 50 3HD1 LEU 50 4.734 -8.198 2.796 378 HD21 LEU 50 1HD2 LEU 50 3.550 -5.640 2.758 379 HD22 LEU 50 2HD2 LEU 50 1.876 -5.647 2.204 380 HD23 LEU 50 3HD2 LEU 50 3.193 -5.590 1.032 381 H GLY 51 H GLY 51 0.781 -9.057 -0.703 382 HA2 GLY 51 1HA GLY 51 -0.766 -9.359 1.611 383 HA3 GLY 51 2HA GLY 51 -1.364 -9.518 -0.033 384 H GLU 52 H GLU 52 0.020 -11.731 -0.916 385 HA GLU 52 HA GLU 52 -1.525 -13.832 0.132 386 HB2 GLU 52 1HB GLU 52 -0.490 -15.206 -1.438 387 HB3 GLU 52 2HB GLU 52 -0.374 -13.614 -2.173 388 HG2 GLU 52 1HG GLU 52 1.916 -13.414 -1.585 389 HG3 GLU 52 2HG GLU 52 1.840 -14.845 -0.559 390 H THR 53 H THR 53 1.528 -12.531 1.070 391 HA THR 53 HA THR 53 2.516 -14.824 2.446 392 HB THR 53 HB THR 53 3.228 -11.898 2.709 393 HG1 THR 53 1HG THR 53 4.107 -14.038 1.139 394 HG21 THR 53 1HG2 THR 53 3.710 -13.205 4.779 395 HG22 THR 53 2HG2 THR 53 5.153 -12.574 3.985 396 HG23 THR 53 3HG2 THR 53 4.725 -14.275 3.814 397 H TYR 54 H TYR 54 0.411 -12.168 3.289 398 HA TYR 54 HA TYR 54 0.110 -13.328 5.981 399 HB2 TYR 54 1HB TYR 54 -0.143 -10.406 5.238 400 HB3 TYR 54 2HB TYR 54 -0.348 -11.089 6.847 401 HD1 TYR 54 2HD TYR 54 2.119 -10.438 4.169 402 HD2 TYR 54 1HD TYR 54 1.523 -11.523 8.240 403 HE1 TYR 54 2HE TYR 54 4.522 -10.132 4.597 404 HE2 TYR 54 1HE TYR 54 3.924 -11.218 8.679 405 HH TYR 54 HH TYR 54 6.093 -9.938 6.215 406 H LYS 55 H LYS 55 -1.361 -13.951 3.553 407 HA LYS 55 HA LYS 55 -3.920 -12.658 3.714 408 HB2 LYS 55 1HB LYS 55 -4.534 -13.946 1.882 409 HB3 LYS 55 2HB LYS 55 -2.795 -13.799 1.668 410 HG2 LYS 55 1HG LYS 55 -2.820 -16.054 3.068 411 HG3 LYS 55 2HG LYS 55 -4.433 -16.167 2.360 412 HD2 LYS 55 1HD LYS 55 -1.911 -15.685 0.777 413 HD3 LYS 55 2HD LYS 55 -2.651 -17.271 1.011 414 HE2 LYS 55 1HE LYS 55 -4.360 -15.068 -0.019 415 HE3 LYS 55 2HE LYS 55 -3.172 -15.774 -1.114 416 HZ1 LYS 55 1HZ LYS 55 -5.674 -16.794 -0.372 417 HZ2 LYS 55 2HZ LYS 55 -4.489 -17.861 0.193 418 HZ3 LYS 55 3HZ LYS 55 -4.548 -17.456 -1.449 419 H ASP 56 H ASP 56 -2.498 -15.638 4.912 420 HA ASP 56 HA ASP 56 -5.047 -16.295 6.229 421 HB2 ASP 56 1HB ASP 56 -2.665 -18.073 5.660 422 HB3 ASP 56 2HB ASP 56 -4.149 -18.581 6.462 423 H HIS 57 H HIS 57 -2.843 -14.376 7.045 424 HA HIS 57 HA HIS 57 -1.480 -15.440 9.272 425 HB2 HIS 57 1HB HIS 57 -1.327 -13.106 7.917 426 HB3 HIS 57 2HB HIS 57 -2.205 -12.571 9.347 427 HD1 HIS 57 1HD HIS 57 -0.927 -12.503 11.565 428 HD2 HIS 57 2HD HIS 57 1.327 -13.943 8.386 429 HE1 HIS 57 1HE HIS 57 1.446 -12.559 12.395 430 HE2 HIS 57 2HE HIS 57 2.803 -13.352 10.426 431 H GLU 58 H GLU 58 -1.907 -13.997 11.462 432 HA GLU 58 HA GLU 58 -4.617 -14.795 12.265 433 HB2 GLU 58 1HB GLU 58 -3.815 -15.015 14.480 434 HB3 GLU 58 2HB GLU 58 -2.581 -15.733 13.455 435 HG2 GLU 58 1HG GLU 58 -1.343 -13.561 13.579 436 HG3 GLU 58 2HG GLU 58 -2.513 -13.043 14.791 437 H ASN 59 H ASN 59 -2.268 -12.158 12.690 438 HA ASN 59 HA ASN 59 -4.529 -10.362 13.281 439 HB2 ASN 59 1HB ASN 59 -3.035 -9.005 14.608 440 HB3 ASN 59 2HB ASN 59 -2.917 -10.673 15.160 441 HD21 ASN 59 1HD2 ASN 59 -1.044 -11.839 14.767 442 HD22 ASN 59 2HD2 ASN 59 0.432 -11.077 14.290 443 H ILE 60 H ILE 60 -1.667 -10.903 11.377 444 HA ILE 60 HA ILE 60 -1.675 -8.270 10.197 445 HB ILE 60 HB ILE 60 -0.170 -10.723 9.286 446 HG12 ILE 60 1HG1 ILE 60 0.719 -8.504 11.141 447 HG13 ILE 60 2HG1 ILE 60 0.338 -10.150 11.633 448 HG21 ILE 60 1HG2 ILE 60 0.512 -9.452 7.601 449 HG22 ILE 60 2HG2 ILE 60 -0.448 -8.101 8.203 450 HG23 ILE 60 3HG2 ILE 60 1.213 -8.319 8.756 451 HD11 ILE 60 1HD1 ILE 60 2.639 -9.192 9.968 452 HD12 ILE 60 2HD1 ILE 60 2.675 -10.039 11.515 453 HD13 ILE 60 3HD1 ILE 60 2.172 -10.890 10.054 454 H VAL 61 H VAL 61 -3.159 -7.701 8.759 455 HA VAL 61 HA VAL 61 -3.943 -9.654 6.701 456 HB VAL 61 HB VAL 61 -5.707 -7.956 8.415 457 HG11 VAL 61 1HG1 VAL 61 -6.383 -7.106 6.344 458 HG12 VAL 61 2HG1 VAL 61 -6.188 -8.664 5.539 459 HG13 VAL 61 3HG1 VAL 61 -7.521 -8.414 6.666 460 HG21 VAL 61 1HG2 VAL 61 -5.396 -10.363 8.869 461 HG22 VAL 61 2HG2 VAL 61 -7.067 -9.955 8.477 462 HG23 VAL 61 3HG2 VAL 61 -6.040 -10.726 7.268 463 H ILE 62 H ILE 62 -3.016 -8.895 4.903 464 HA ILE 62 HA ILE 62 -2.606 -6.094 4.435 465 HB ILE 62 HB ILE 62 -2.256 -8.438 2.562 466 HG12 ILE 62 1HG1 ILE 62 -0.842 -8.438 4.643 467 HG13 ILE 62 2HG1 ILE 62 0.071 -8.376 3.140 468 HG21 ILE 62 1HG2 ILE 62 -2.037 -6.892 0.976 469 HG22 ILE 62 2HG2 ILE 62 -2.090 -5.580 2.153 470 HG23 ILE 62 3HG2 ILE 62 -0.561 -6.380 1.793 471 HD11 ILE 62 1HD1 ILE 62 1.095 -6.545 3.825 472 HD12 ILE 62 2HD1 ILE 62 -0.453 -5.716 3.999 473 HD13 ILE 62 3HD1 ILE 62 0.211 -6.636 5.349 474 H ALA 63 H ALA 63 -3.643 -4.754 3.001 475 HA ALA 63 HA ALA 63 -5.820 -5.770 1.371 476 HB1 ALA 63 1HB ALA 63 -7.558 -4.982 2.536 477 HB2 ALA 63 2HB ALA 63 -6.443 -4.938 3.903 478 HB3 ALA 63 3HB ALA 63 -6.722 -3.483 2.946 479 H LYS 64 H LYS 64 -6.578 -4.250 -0.191 480 HA LYS 64 HA LYS 64 -4.883 -1.864 -0.504 481 HB2 LYS 64 1HB LYS 64 -4.657 -2.271 -2.860 482 HB3 LYS 64 2HB LYS 64 -4.150 -3.721 -2.003 483 HG2 LYS 64 1HG LYS 64 -6.209 -4.826 -2.525 484 HG3 LYS 64 2HG LYS 64 -6.878 -3.347 -3.218 485 HD2 LYS 64 1HD LYS 64 -5.105 -3.395 -4.940 486 HD3 LYS 64 2HD LYS 64 -4.530 -4.924 -4.271 487 HE2 LYS 64 1HE LYS 64 -6.885 -5.799 -4.662 488 HE3 LYS 64 2HE LYS 64 -7.153 -4.346 -5.624 489 HZ1 LYS 64 1HZ LYS 64 -6.495 -5.986 -7.135 490 HZ2 LYS 64 2HZ LYS 64 -5.250 -6.551 -6.140 491 HZ3 LYS 64 3HZ LYS 64 -5.106 -5.049 -6.904 492 H MET 65 H MET 65 -5.856 -0.056 -1.386 493 HA MET 65 HA MET 65 -8.669 -0.247 -2.165 494 HB2 MET 65 1HB MET 65 -8.466 0.307 0.303 495 HB3 MET 65 2HB MET 65 -7.725 1.825 -0.186 496 HG2 MET 65 1HG MET 65 -9.722 2.501 -1.326 497 HG3 MET 65 2HG MET 65 -10.463 0.927 -1.045 498 HE1 MET 65 1HE MET 65 -11.755 3.939 -0.182 499 HE2 MET 65 2HE MET 65 -11.147 4.504 1.375 500 HE3 MET 65 3HE MET 65 -10.065 4.418 -0.016 501 H ASP 66 H ASP 66 -9.386 1.414 -3.523 502 HA ASP 66 HA ASP 66 -7.222 2.867 -4.850 503 HB2 ASP 66 1HB ASP 66 -8.634 1.530 -6.301 504 HB3 ASP 66 2HB ASP 66 -10.078 2.333 -5.690 505 H SER 67 H SER 67 -6.833 4.734 -3.799 506 HA SER 67 HA SER 67 -8.770 6.286 -2.464 507 HB2 SER 67 1HB SER 67 -6.146 6.293 -2.310 508 HB3 SER 67 2HB SER 67 -6.273 7.526 -3.565 509 HG SER 67 HG SER 67 -6.664 7.778 -0.935 510 H THR 68 H THR 68 -7.856 6.069 -5.777 511 HA THR 68 HA THR 68 -8.952 8.640 -6.517 512 HB THR 68 HB THR 68 -8.250 8.209 -8.700 513 HG1 THR 68 1HG THR 68 -9.294 6.187 -8.968 514 HG21 THR 68 1HG2 THR 68 -6.423 8.121 -6.846 515 HG22 THR 68 2HG2 THR 68 -5.999 7.686 -8.502 516 HG23 THR 68 3HG2 THR 68 -6.293 6.424 -7.306 517 H ALA 69 H ALA 69 -10.062 5.390 -6.194 518 HA ALA 69 HA ALA 69 -12.534 6.029 -7.654 519 HB1 ALA 69 1HB ALA 69 -12.938 3.553 -7.542 520 HB2 ALA 69 2HB ALA 69 -11.540 4.043 -8.499 521 HB3 ALA 69 3HB ALA 69 -11.313 3.390 -6.877 522 H ASN 70 H ASN 70 -11.258 5.786 -4.548 523 HA ASN 70 HA ASN 70 -13.944 5.868 -3.402 524 HB2 ASN 70 1HB ASN 70 -11.762 4.031 -2.388 525 HB3 ASN 70 2HB ASN 70 -13.315 4.300 -1.604 526 HD21 ASN 70 1HD2 ASN 70 -11.611 2.472 -3.850 527 HD22 ASN 70 2HD2 ASN 70 -12.941 1.611 -4.537 528 H GLU 71 H GLU 71 -14.123 7.510 -2.028 529 HA GLU 71 HA GLU 71 -11.655 8.639 -0.881 530 HB2 GLU 71 1HB GLU 71 -13.242 9.961 -2.534 531 HB3 GLU 71 2HB GLU 71 -14.174 10.231 -1.068 532 HG2 GLU 71 1HG GLU 71 -12.307 11.303 -0.011 533 HG3 GLU 71 2HG GLU 71 -11.258 10.904 -1.370 534 H VAL 72 H VAL 72 -11.538 9.053 1.281 535 HA VAL 72 HA VAL 72 -13.907 8.695 2.944 536 HB VAL 72 HB VAL 72 -12.653 7.170 4.487 537 HG11 VAL 72 1HG1 VAL 72 -14.372 6.313 2.995 538 HG12 VAL 72 2HG1 VAL 72 -13.183 6.132 1.704 539 HG13 VAL 72 3HG1 VAL 72 -13.060 5.147 3.162 540 HG21 VAL 72 1HG2 VAL 72 -10.844 5.834 3.086 541 HG22 VAL 72 2HG2 VAL 72 -10.662 7.398 2.293 542 HG23 VAL 72 3HG2 VAL 72 -10.418 7.259 4.034 543 H GLU 73 H GLU 73 -13.817 9.763 4.899 544 HA GLU 73 HA GLU 73 -11.816 11.827 5.099 545 HB2 GLU 73 1HB GLU 73 -13.149 12.696 6.918 546 HB3 GLU 73 2HB GLU 73 -14.207 12.257 5.585 547 HG2 GLU 73 1HG GLU 73 -14.492 10.025 6.841 548 HG3 GLU 73 2HG GLU 73 -13.845 10.905 8.225 549 H ALA 74 H ALA 74 -12.496 8.773 6.613 550 HA ALA 74 HA ALA 74 -11.028 9.072 8.985 551 HB1 ALA 74 1HB ALA 74 -11.450 6.878 9.336 552 HB2 ALA 74 2HB ALA 74 -12.591 7.129 8.015 553 HB3 ALA 74 3HB ALA 74 -11.011 6.415 7.692 554 H VAL 75 H VAL 75 -9.983 8.926 5.758 555 HA VAL 75 HA VAL 75 -7.207 8.889 6.621 556 HB VAL 75 HB VAL 75 -8.365 6.837 4.748 557 HG11 VAL 75 1HG1 VAL 75 -5.663 8.054 4.759 558 HG12 VAL 75 2HG1 VAL 75 -5.763 6.304 4.559 559 HG13 VAL 75 3HG1 VAL 75 -6.594 7.372 3.427 560 HG21 VAL 75 1HG2 VAL 75 -6.938 6.827 7.355 561 HG22 VAL 75 2HG2 VAL 75 -8.291 5.839 6.802 562 HG23 VAL 75 3HG2 VAL 75 -6.655 5.484 6.247 563 H LYS 76 H LYS 76 -6.496 10.739 5.791 564 HA LYS 76 HA LYS 76 -7.489 11.659 3.204 565 HB2 LYS 76 1HB LYS 76 -5.920 12.966 5.416 566 HB3 LYS 76 2HB LYS 76 -6.071 13.715 3.832 567 HG2 LYS 76 1HG LYS 76 -8.487 12.862 5.384 568 HG3 LYS 76 2HG LYS 76 -7.706 14.420 5.669 569 HD2 LYS 76 1HD LYS 76 -8.335 15.260 3.639 570 HD3 LYS 76 2HD LYS 76 -8.335 13.675 2.861 571 HE2 LYS 76 1HE LYS 76 -10.350 14.196 4.984 572 HE3 LYS 76 2HE LYS 76 -10.580 14.971 3.417 573 HZ1 LYS 76 1HZ LYS 76 -10.301 12.057 3.917 574 HZ2 LYS 76 2HZ LYS 76 -10.410 12.764 2.384 575 HZ3 LYS 76 3HZ LYS 76 -11.713 12.869 3.457 576 H VAL 77 H VAL 77 -6.385 11.358 1.390 577 HA VAL 77 HA VAL 77 -3.480 10.888 1.571 578 HB VAL 77 HB VAL 77 -5.286 9.662 -0.510 579 HG11 VAL 77 1HG1 VAL 77 -3.106 9.713 -1.345 580 HG12 VAL 77 2HG1 VAL 77 -2.396 9.357 0.231 581 HG13 VAL 77 3HG1 VAL 77 -3.258 8.098 -0.653 582 HG21 VAL 77 1HG2 VAL 77 -5.223 7.601 0.718 583 HG22 VAL 77 2HG2 VAL 77 -4.176 8.311 1.947 584 HG23 VAL 77 3HG2 VAL 77 -5.843 8.864 1.781 585 H HIS 78 H HIS 78 -2.398 12.507 0.680 586 HA HIS 78 HA HIS 78 -3.599 13.920 -1.609 587 HB2 HIS 78 1HB HIS 78 -1.418 15.011 0.164 588 HB3 HIS 78 2HB HIS 78 -2.459 15.894 -0.948 589 HD1 HIS 78 1HD HIS 78 -2.181 16.648 2.061 590 HD2 HIS 78 2HD HIS 78 -5.206 14.289 0.466 591 HE1 HIS 78 1HE HIS 78 -4.099 16.830 3.678 592 HE2 HIS 78 2HE HIS 78 -5.886 15.327 2.735 593 H SER 79 H SER 79 -1.988 11.439 -1.646 594 HA SER 79 HA SER 79 -0.349 12.043 -3.861 595 HB2 SER 79 1HB SER 79 1.856 11.714 -2.970 596 HB3 SER 79 2HB SER 79 1.078 12.961 -1.994 597 HG SER 79 HG SER 79 1.232 10.209 -1.309 598 H PHE 80 H PHE 80 0.980 10.102 -4.527 599 HA PHE 80 HA PHE 80 0.321 7.570 -3.345 600 HB2 PHE 80 1HB PHE 80 -0.683 7.980 -6.153 601 HB3 PHE 80 2HB PHE 80 -1.035 6.658 -5.045 602 HD1 PHE 80 1HD PHE 80 -2.605 6.979 -3.190 603 HD2 PHE 80 2HD PHE 80 -1.903 10.027 -6.077 604 HE1 PHE 80 1HE PHE 80 -4.657 8.129 -2.469 605 HE2 PHE 80 2HE PHE 80 -3.953 11.183 -5.359 606 HZ PHE 80 HZ PHE 80 -5.333 10.235 -3.553 607 HA PRO 81 HA PRO 81 0.275 5.398 -4.227 608 HB2 PRO 81 1HB PRO 81 2.037 3.546 -3.312 609 HB3 PRO 81 2HB PRO 81 1.468 3.587 -4.985 610 HG2 PRO 81 1HG PRO 81 4.027 4.624 -3.829 611 HG3 PRO 81 2HG PRO 81 3.763 3.723 -5.333 612 HD2 PRO 81 1HD PRO 81 4.104 6.409 -5.283 613 HD3 PRO 81 2HD PRO 81 3.075 5.599 -6.483 614 H THR 82 H THR 82 -0.413 5.156 -2.133 615 HA THR 82 HA THR 82 1.337 6.238 -0.022 616 HB THR 82 HB THR 82 -1.599 6.745 -0.476 617 HG1 THR 82 1HG THR 82 0.078 8.784 0.303 618 HG21 THR 82 1HG2 THR 82 -1.704 7.784 1.717 619 HG22 THR 82 2HG2 THR 82 -0.025 7.345 2.031 620 HG23 THR 82 3HG2 THR 82 -1.252 6.088 1.879 621 H LEU 83 H LEU 83 1.596 4.988 1.723 622 HA LEU 83 HA LEU 83 -0.205 2.677 2.041 623 HB2 LEU 83 1HB LEU 83 2.664 2.835 2.936 624 HB3 LEU 83 2HB LEU 83 1.625 1.412 2.905 625 HG LEU 83 HG LEU 83 2.658 2.876 0.477 626 HD11 LEU 83 1HD1 LEU 83 3.622 0.497 1.996 627 HD12 LEU 83 2HD1 LEU 83 4.538 1.810 1.257 628 HD13 LEU 83 3HD1 LEU 83 3.828 0.553 0.245 629 HD21 LEU 83 1HD2 LEU 83 1.861 0.508 -0.449 630 HD22 LEU 83 2HD2 LEU 83 0.789 1.907 -0.372 631 HD23 LEU 83 3HD2 LEU 83 0.720 0.673 0.887 632 H LYS 84 H LYS 84 -1.013 2.217 4.043 633 HA LYS 84 HA LYS 84 -0.124 3.806 6.329 634 HB2 LYS 84 1HB LYS 84 -3.042 3.610 5.571 635 HB3 LYS 84 2HB LYS 84 -2.350 4.527 6.903 636 HG2 LYS 84 1HG LYS 84 -1.022 5.674 4.906 637 HG3 LYS 84 2HG LYS 84 -2.453 5.155 4.013 638 HD2 LYS 84 1HD LYS 84 -3.893 6.359 5.521 639 HD3 LYS 84 2HD LYS 84 -2.528 6.761 6.566 640 HE2 LYS 84 1HE LYS 84 -2.492 7.573 3.690 641 HE3 LYS 84 2HE LYS 84 -3.432 8.510 4.851 642 HZ1 LYS 84 1HZ LYS 84 -1.577 9.522 5.459 643 HZ2 LYS 84 2HZ LYS 84 -0.669 8.590 4.378 644 HZ3 LYS 84 3HZ LYS 84 -0.914 8.049 5.962 645 H PHE 85 H PHE 85 0.106 2.551 8.055 646 HA PHE 85 HA PHE 85 -1.046 -0.127 8.019 647 HB2 PHE 85 1HB PHE 85 1.291 -0.080 8.519 648 HB3 PHE 85 2HB PHE 85 1.068 1.170 9.738 649 HD1 PHE 85 1HD PHE 85 0.122 0.628 11.918 650 HD2 PHE 85 2HD PHE 85 0.844 -2.384 8.999 651 HE1 PHE 85 1HE PHE 85 -0.092 -1.102 13.655 652 HE2 PHE 85 2HE PHE 85 0.630 -4.119 10.730 653 HZ PHE 85 HZ PHE 85 0.161 -3.479 13.062 654 H PHE 86 H PHE 86 -2.633 -0.803 9.333 655 HA PHE 86 HA PHE 86 -3.688 1.134 11.281 656 HB2 PHE 86 1HB PHE 86 -5.120 -1.133 9.879 657 HB3 PHE 86 2HB PHE 86 -5.852 -0.003 11.013 658 HD1 PHE 86 1HD PHE 86 -3.799 2.149 9.565 659 HD2 PHE 86 2HD PHE 86 -7.074 -0.325 8.438 660 HE1 PHE 86 1HE PHE 86 -4.312 3.680 7.708 661 HE2 PHE 86 2HE PHE 86 -7.591 1.201 6.578 662 HZ PHE 86 HZ PHE 86 -6.209 3.206 6.211 663 HA PRO 87 HA PRO 87 -2.110 -1.949 14.170 664 HB2 PRO 87 1HB PRO 87 -2.344 -0.345 16.347 665 HB3 PRO 87 2HB PRO 87 -0.991 -0.237 15.215 666 HG2 PRO 87 1HG PRO 87 -3.459 1.449 15.383 667 HG3 PRO 87 2HG PRO 87 -1.779 1.949 15.114 668 HD2 PRO 87 1HD PRO 87 -3.573 1.726 13.098 669 HD3 PRO 87 2HD PRO 87 -1.842 1.401 12.876 670 H ALA 88 H ALA 88 -3.003 -2.972 16.100 671 HA ALA 88 HA ALA 88 -5.836 -3.352 15.870 672 HB1 ALA 88 1HB ALA 88 -5.573 -5.188 17.238 673 HB2 ALA 88 2HB ALA 88 -3.976 -5.066 16.498 674 HB3 ALA 88 3HB ALA 88 -4.238 -4.463 18.134 675 H SER 89 H SER 89 -6.060 -0.907 16.370 676 HA SER 89 HA SER 89 -6.457 -0.596 19.274 677 HB2 SER 89 1HB SER 89 -4.674 0.875 18.150 678 HB3 SER 89 2HB SER 89 -6.023 1.711 17.382 679 HG SER 89 HG SER 89 -5.133 1.821 19.972 680 H ALA 90 H ALA 90 -8.365 0.324 19.984 681 HA ALA 90 HA ALA 90 -10.578 0.163 18.115 682 HB1 ALA 90 1HB ALA 90 -11.425 -0.745 19.978 683 HB2 ALA 90 2HB ALA 90 -10.248 0.055 21.020 684 HB3 ALA 90 3HB ALA 90 -11.687 0.924 20.487 685 H ASP 91 H ASP 91 -8.511 2.415 18.199 686 HA ASP 91 HA ASP 91 -10.439 4.638 18.377 687 HB2 ASP 91 1HB ASP 91 -7.545 4.472 19.137 688 HB3 ASP 91 2HB ASP 91 -8.223 6.016 18.629 689 H ARG 92 H ARG 92 -10.009 2.962 16.081 690 HA ARG 92 HA ARG 92 -9.249 3.009 13.887 691 HB2 ARG 92 1HB ARG 92 -10.380 4.761 12.665 692 HB3 ARG 92 2HB ARG 92 -11.418 4.206 13.971 693 HG2 ARG 92 1HG ARG 92 -10.391 6.194 15.286 694 HG3 ARG 92 2HG ARG 92 -9.962 6.794 13.683 695 HD2 ARG 92 1HD ARG 92 -12.751 5.943 14.424 696 HD3 ARG 92 2HD ARG 92 -12.169 7.595 14.624 697 HE ARG 92 HE ARG 92 -11.815 6.521 11.973 698 HH11 ARG 92 2HH1 ARG 92 -13.942 8.231 14.134 699 HH12 ARG 92 1HH1 ARG 92 -14.838 8.991 12.861 700 HH21 ARG 92 2HH2 ARG 92 -12.988 7.515 10.288 701 HH22 ARG 92 1HH2 ARG 92 -14.295 8.582 10.673 702 H THR 93 H THR 93 -7.008 3.428 15.207 703 HA THR 93 HA THR 93 -5.793 5.957 14.494 704 HB THR 93 HB THR 93 -4.568 3.492 15.749 705 HG1 THR 93 1HG THR 93 -5.361 5.968 16.924 706 HG21 THR 93 1HG2 THR 93 -2.675 4.880 16.293 707 HG22 THR 93 2HG2 THR 93 -3.457 6.294 15.586 708 HG23 THR 93 3HG2 THR 93 -2.949 4.959 14.553 709 H VAL 94 H VAL 94 -4.001 6.205 13.105 710 HA VAL 94 HA VAL 94 -3.508 3.986 11.239 711 HB VAL 94 HB VAL 94 -4.162 6.838 10.516 712 HG11 VAL 94 1HG1 VAL 94 -2.902 4.701 8.803 713 HG12 VAL 94 2HG1 VAL 94 -3.614 6.190 8.179 714 HG13 VAL 94 3HG1 VAL 94 -2.208 6.261 9.243 715 HG21 VAL 94 1HG2 VAL 94 -6.177 5.954 10.186 716 HG22 VAL 94 2HG2 VAL 94 -5.482 5.042 8.846 717 HG23 VAL 94 3HG2 VAL 94 -5.572 4.318 10.451 718 H ILE 95 H ILE 95 -1.428 3.738 10.589 719 HA ILE 95 HA ILE 95 0.523 5.679 11.642 720 HB ILE 95 HB ILE 95 0.818 2.708 11.202 721 HG12 ILE 95 1HG1 ILE 95 0.847 4.451 13.672 722 HG13 ILE 95 2HG1 ILE 95 -0.344 3.224 13.253 723 HG21 ILE 95 1HG2 ILE 95 3.108 3.046 12.159 724 HG22 ILE 95 2HG2 ILE 95 2.879 3.702 10.539 725 HG23 ILE 95 3HG2 ILE 95 2.876 4.779 11.935 726 HD11 ILE 95 1HD1 ILE 95 1.598 1.571 13.347 727 HD12 ILE 95 2HD1 ILE 95 2.480 2.858 14.170 728 HD13 ILE 95 3HD1 ILE 95 0.992 2.221 14.870 729 H ASP 96 H ASP 96 1.922 6.613 10.275 730 HA ASP 96 HA ASP 96 1.580 6.204 7.448 731 HB2 ASP 96 1HB ASP 96 3.133 8.108 9.156 732 HB3 ASP 96 2HB ASP 96 3.567 7.937 7.457 733 H TYR 97 H TYR 97 2.874 5.135 6.065 734 HA TYR 97 HA TYR 97 5.123 3.652 7.220 735 HB2 TYR 97 1HB TYR 97 3.323 2.379 6.068 736 HB3 TYR 97 2HB TYR 97 3.717 3.223 4.575 737 HD1 TYR 97 1HD TYR 97 6.052 2.922 3.611 738 HD2 TYR 97 2HD TYR 97 4.492 0.443 6.696 739 HE1 TYR 97 1HE TYR 97 7.745 1.216 3.087 740 HE2 TYR 97 2HE TYR 97 6.181 -1.270 6.183 741 HH TYR 97 HH TYR 97 8.887 -0.724 4.454 742 H ASN 98 H ASN 98 7.000 4.690 7.032 743 HA ASN 98 HA ASN 98 7.661 5.890 4.424 744 HB2 ASN 98 1HB ASN 98 9.220 7.386 5.880 745 HB3 ASN 98 2HB ASN 98 7.506 7.775 5.781 746 HD21 ASN 98 1HD2 ASN 98 6.364 7.894 7.599 747 HD22 ASN 98 2HD2 ASN 98 6.934 7.437 9.165 748 H GLY 99 H GLY 99 8.467 3.655 4.045 749 HA2 GLY 99 1HA GLY 99 11.230 3.427 5.053 750 HA3 GLY 99 2HA GLY 99 10.176 2.022 4.998 751 H GLU 100 H GLU 100 11.574 0.913 3.605 752 HA GLU 100 HA GLU 100 12.508 1.971 1.153 753 HB2 GLU 100 1HB GLU 100 12.984 -0.409 0.580 754 HB3 GLU 100 2HB GLU 100 13.638 0.092 2.133 755 HG2 GLU 100 1HG GLU 100 11.360 -0.882 3.023 756 HG3 GLU 100 2HG GLU 100 11.438 -1.803 1.523 757 H ARG 101 H ARG 101 9.550 0.397 2.106 758 HA ARG 101 HA ARG 101 7.567 0.105 1.026 759 HB2 ARG 101 1HB ARG 101 8.131 2.446 0.185 760 HB3 ARG 101 2HB ARG 101 8.706 1.670 -1.284 761 HG2 ARG 101 1HG ARG 101 6.455 0.670 -1.575 762 HG3 ARG 101 2HG ARG 101 5.908 1.602 -0.179 763 HD2 ARG 101 1HD ARG 101 7.080 2.767 -2.703 764 HD3 ARG 101 2HD ARG 101 5.359 2.685 -2.326 765 HE ARG 101 HE ARG 101 6.362 4.006 -0.205 766 HH11 ARG 101 2HH1 ARG 101 6.713 4.447 -3.641 767 HH12 ARG 101 1HH1 ARG 101 6.923 6.163 -3.531 768 HH21 ARG 101 2HH2 ARG 101 6.638 6.265 -0.048 769 HH22 ARG 101 1HH2 ARG 101 6.882 7.196 -1.487 770 H THR 102 H THR 102 9.392 -1.932 0.867 771 HA THR 102 HA THR 102 8.943 -2.974 -1.854 772 HB THR 102 HB THR 102 10.996 -4.294 -1.650 773 HG1 THR 102 1HG THR 102 12.232 -4.223 0.143 774 HG21 THR 102 1HG2 THR 102 12.149 -1.700 -0.983 775 HG22 THR 102 2HG2 THR 102 10.829 -1.588 -2.147 776 HG23 THR 102 3HG2 THR 102 12.221 -2.615 -2.488 777 H LEU 103 H LEU 103 9.047 -5.434 -1.891 778 HA LEU 103 HA LEU 103 7.005 -6.491 -0.324 779 HB2 LEU 103 1HB LEU 103 7.633 -7.467 -2.440 780 HB3 LEU 103 2HB LEU 103 9.221 -7.896 -1.806 781 HG LEU 103 HG LEU 103 8.127 -9.481 -0.251 782 HD11 LEU 103 1HD1 LEU 103 5.956 -9.281 0.151 783 HD12 LEU 103 2HD1 LEU 103 5.640 -9.850 -1.488 784 HD13 LEU 103 3HD1 LEU 103 5.772 -8.121 -1.166 785 HD21 LEU 103 1HD2 LEU 103 8.009 -9.696 -3.201 786 HD22 LEU 103 2HD2 LEU 103 7.161 -10.931 -2.271 787 HD23 LEU 103 3HD2 LEU 103 8.888 -10.672 -2.024 788 H ASP 104 H ASP 104 10.522 -6.893 0.005 789 HA ASP 104 HA ASP 104 10.305 -8.459 2.391 790 HB2 ASP 104 1HB ASP 104 12.542 -7.246 0.826 791 HB3 ASP 104 2HB ASP 104 12.853 -7.745 2.487 792 H GLY 105 H GLY 105 10.712 -5.059 1.651 793 HA2 GLY 105 1HA GLY 105 11.525 -4.199 4.220 794 HA3 GLY 105 2HA GLY 105 10.779 -3.193 2.987 795 H PHE 106 H PHE 106 8.362 -4.797 2.816 796 HA PHE 106 HA PHE 106 6.845 -3.498 4.817 797 HB2 PHE 106 1HB PHE 106 6.109 -5.759 2.947 798 HB3 PHE 106 2HB PHE 106 4.958 -4.882 3.950 799 HD1 PHE 106 2HD PHE 106 5.735 -2.125 3.682 800 HD2 PHE 106 1HD PHE 106 5.708 -5.212 0.752 801 HE1 PHE 106 2HE PHE 106 5.478 -0.437 1.911 802 HE2 PHE 106 1HE PHE 106 5.452 -3.529 -1.024 803 HZ PHE 106 HZ PHE 106 5.335 -1.138 -0.446 804 H LYS 107 H LYS 107 7.863 -6.869 4.401 805 HA LYS 107 HA LYS 107 6.536 -8.018 6.543 806 HB2 LYS 107 1HB LYS 107 9.348 -8.775 5.771 807 HB3 LYS 107 2HB LYS 107 8.074 -9.815 6.394 808 HG2 LYS 107 1HG LYS 107 6.839 -9.109 4.198 809 HG3 LYS 107 2HG LYS 107 8.476 -8.745 3.646 810 HD2 LYS 107 1HD LYS 107 8.944 -11.156 4.652 811 HD3 LYS 107 2HD LYS 107 7.224 -11.358 4.311 812 HE2 LYS 107 1HE LYS 107 8.047 -12.011 2.297 813 HE3 LYS 107 2HE LYS 107 7.969 -10.276 1.995 814 HZ1 LYS 107 1HZ LYS 107 10.200 -11.908 1.861 815 HZ2 LYS 107 2HZ LYS 107 10.425 -10.935 3.226 816 HZ3 LYS 107 3HZ LYS 107 10.151 -10.223 1.716 817 H LYS 108 H LYS 108 9.611 -6.279 6.490 818 HA LYS 108 HA LYS 108 10.343 -6.778 9.166 819 HB2 LYS 108 1HB LYS 108 11.049 -4.298 7.601 820 HB3 LYS 108 2HB LYS 108 11.971 -5.057 8.892 821 HG2 LYS 108 1HG LYS 108 11.957 -7.093 7.196 822 HG3 LYS 108 2HG LYS 108 11.755 -5.785 6.028 823 HD2 LYS 108 1HD LYS 108 14.084 -6.129 6.212 824 HD3 LYS 108 2HD LYS 108 13.741 -4.671 7.146 825 HE2 LYS 108 1HE LYS 108 15.132 -5.842 8.570 826 HE3 LYS 108 2HE LYS 108 13.535 -6.316 9.146 827 HZ1 LYS 108 1HZ LYS 108 13.947 -8.213 7.360 828 HZ2 LYS 108 2HZ LYS 108 14.454 -8.356 8.967 829 HZ3 LYS 108 3HZ LYS 108 15.558 -7.898 7.770 830 H PHE 109 H PHE 109 8.335 -4.310 7.669 831 HA PHE 109 HA PHE 109 8.074 -2.724 10.035 832 HB2 PHE 109 1HB PHE 109 7.779 -1.766 7.785 833 HB3 PHE 109 2HB PHE 109 6.361 -2.779 7.542 834 HD1 PHE 109 1HD PHE 109 4.328 -2.395 8.921 835 HD2 PHE 109 2HD PHE 109 7.651 0.264 8.980 836 HE1 PHE 109 1HE PHE 109 2.908 -0.648 9.914 837 HE2 PHE 109 2HE PHE 109 6.237 2.014 9.974 838 HZ PHE 109 HZ PHE 109 3.863 1.560 10.444 839 H LEU 110 H LEU 110 6.052 -5.142 8.416 840 HA LEU 110 HA LEU 110 3.898 -4.964 10.259 841 HB2 LEU 110 1HB LEU 110 4.690 -7.175 8.370 842 HB3 LEU 110 2HB LEU 110 3.165 -7.100 9.250 843 HG LEU 110 HG LEU 110 4.044 -5.036 7.236 844 HD11 LEU 110 1HD1 LEU 110 3.809 -7.061 6.023 845 HD12 LEU 110 2HD1 LEU 110 2.323 -6.143 5.777 846 HD13 LEU 110 3HD1 LEU 110 2.346 -7.498 6.905 847 HD21 LEU 110 1HD2 LEU 110 1.212 -5.515 7.941 848 HD22 LEU 110 2HD2 LEU 110 2.052 -4.010 7.564 849 HD23 LEU 110 3HD2 LEU 110 2.216 -4.735 9.164 850 H GLU 111 H GLU 111 6.298 -7.565 9.779 851 HA GLU 111 HA GLU 111 5.787 -9.227 11.818 852 HB2 GLU 111 1HB GLU 111 8.427 -8.221 10.798 853 HB3 GLU 111 2HB GLU 111 8.360 -9.401 12.099 854 HG2 GLU 111 1HG GLU 111 6.776 -10.664 10.422 855 HG3 GLU 111 2HG GLU 111 7.641 -9.692 9.233 856 H SER 112 H SER 112 7.243 -6.042 12.131 857 HA SER 112 HA SER 112 7.752 -6.329 14.950 858 HB2 SER 112 1HB SER 112 7.758 -3.837 13.228 859 HB3 SER 112 2HB SER 112 8.418 -3.973 14.858 860 HG SER 112 HG SER 112 10.150 -4.856 14.061 861 H GLY 113 H GLY 113 5.316 -4.754 12.928 862 HA2 GLY 113 1HA GLY 113 3.020 -4.739 13.745 863 HA3 GLY 113 2HA GLY 113 3.662 -4.434 15.352 864 H GLY 114 H GLY 114 4.857 -2.825 12.477 865 HA2 GLY 114 1HA GLY 114 4.869 -0.611 11.874 866 HA3 GLY 114 2HA GLY 114 3.231 -0.551 12.506 867 H GLN 115 H GLN 115 6.327 -1.121 14.154 868 HA GLN 115 HA GLN 115 5.630 0.570 16.325 869 HB2 GLN 115 1HB GLN 115 8.256 0.314 16.689 870 HB3 GLN 115 2HB GLN 115 7.130 -0.989 17.046 871 HG2 GLN 115 1HG GLN 115 7.661 -2.130 15.056 872 HG3 GLN 115 2HG GLN 115 8.505 -0.732 14.391 873 HE21 GLN 115 1HE2 GLN 115 10.545 -0.171 15.241 874 HE22 GLN 115 2HE2 GLN 115 11.517 -1.334 16.072 875 H SER 116 H SER 116 7.347 1.051 13.333 876 HA SER 116 HA SER 116 8.567 3.528 14.072 877 HB2 SER 116 1HB SER 116 9.396 2.026 12.239 878 HB3 SER 116 2HB SER 116 7.995 2.507 11.281 879 HG SER 116 HG SER 116 10.143 4.112 12.181 880 H GLY 117 H GLY 117 8.089 5.576 12.852 881 HA2 GLY 117 1HA GLY 117 6.331 6.767 11.566 882 HA3 GLY 117 2HA GLY 117 5.166 5.910 12.565 883 HA PRO 118 HA PRO 118 5.713 10.056 14.477 884 HB2 PRO 118 1HB PRO 118 3.097 10.326 15.151 885 HB3 PRO 118 2HB PRO 118 3.728 10.757 13.557 886 HG2 PRO 118 1HG PRO 118 2.299 8.272 14.419 887 HG3 PRO 118 2HG PRO 118 2.085 9.231 12.943 888 HD2 PRO 118 1HD PRO 118 3.515 6.932 12.993 889 HD3 PRO 118 2HD PRO 118 3.914 8.281 11.911 890 H SER 119 H SER 119 6.131 10.389 16.586 891 HA SER 119 HA SER 119 5.094 8.426 18.524 892 HB2 SER 119 1HB SER 119 7.851 9.466 18.089 893 HB3 SER 119 2HB SER 119 7.343 9.180 19.753 894 HG SER 119 HG SER 119 7.259 7.288 17.637 895 H SER 120 H SER 120 6.569 11.668 18.338 896 HA SER 120 HA SER 120 5.168 12.483 20.746 897 HB2 SER 120 1HB SER 120 7.380 13.314 20.635 898 HB3 SER 120 2HB SER 120 7.194 13.819 18.956 899 HG SER 120 HG SER 120 6.788 15.255 21.134 900 H GLY 121 H GLY 121 2.999 12.476 20.124 901 HA2 GLY 121 1HA GLY 121 2.241 14.783 18.473 902 HA3 GLY 121 2HA GLY 121 1.575 13.208 18.070 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -10.072 -26.940 6.338 2 HA2 GLY 1 1HA GLY 1 -8.940 -25.829 8.733 3 HA3 GLY 1 2HA GLY 1 -8.269 -25.115 7.275 4 H SER 2 H SER 2 -9.269 -23.184 8.387 5 HA SER 2 HA SER 2 -12.103 -22.915 8.414 6 HB2 SER 2 1HB SER 2 -11.693 -20.568 8.897 7 HB3 SER 2 2HB SER 2 -10.576 -21.559 9.836 8 HG SER 2 HG SER 2 -9.899 -20.420 7.333 9 H SER 3 H SER 3 -13.343 -22.831 6.672 10 HA SER 3 HA SER 3 -12.308 -22.237 4.074 11 HB2 SER 3 1HB SER 3 -14.564 -22.638 3.283 12 HB3 SER 3 2HB SER 3 -14.161 -23.859 4.490 13 HG SER 3 HG SER 3 -16.287 -22.742 4.649 14 H GLY 4 H GLY 4 -11.805 -20.231 3.485 15 HA2 GLY 4 1HA GLY 4 -13.445 -18.192 2.917 16 HA3 GLY 4 2HA GLY 4 -13.193 -17.954 4.639 17 H SER 5 H SER 5 -11.947 -17.464 1.513 18 HA SER 5 HA SER 5 -9.779 -15.878 2.573 19 HB2 SER 5 1HB SER 5 -9.260 -18.370 0.950 20 HB3 SER 5 2HB SER 5 -8.093 -17.053 1.060 21 HG SER 5 HG SER 5 -7.860 -18.815 2.628 22 H SER 6 H SER 6 -9.878 -14.051 1.468 23 HA SER 6 HA SER 6 -10.966 -14.071 -1.249 24 HB2 SER 6 1HB SER 6 -11.981 -12.514 0.364 25 HB3 SER 6 2HB SER 6 -10.412 -11.747 0.614 26 HG SER 6 HG SER 6 -10.574 -10.765 -1.267 27 H GLY 7 H GLY 7 -9.107 -14.893 -2.307 28 HA2 GLY 7 1HA GLY 7 -7.092 -14.750 -3.401 29 HA3 GLY 7 2HA GLY 7 -7.434 -13.028 -3.474 30 HA PRO 8 HA PRO 8 -3.544 -13.705 -1.010 31 HB2 PRO 8 1HB PRO 8 -2.065 -11.884 -2.377 32 HB3 PRO 8 2HB PRO 8 -2.213 -13.572 -2.879 33 HG2 PRO 8 1HG PRO 8 -3.661 -11.159 -3.899 34 HG3 PRO 8 2HG PRO 8 -2.958 -12.509 -4.808 35 HD2 PRO 8 1HD PRO 8 -5.607 -12.334 -4.276 36 HD3 PRO 8 2HD PRO 8 -4.758 -13.889 -4.396 37 H VAL 9 H VAL 9 -4.706 -10.607 -2.350 38 HA VAL 9 HA VAL 9 -4.408 -9.439 0.341 39 HB VAL 9 HB VAL 9 -2.812 -8.278 -0.882 40 HG11 VAL 9 1HG1 VAL 9 -3.508 -9.296 -3.067 41 HG12 VAL 9 2HG1 VAL 9 -4.694 -7.999 -3.218 42 HG13 VAL 9 3HG1 VAL 9 -2.972 -7.619 -3.164 43 HG21 VAL 9 1HG2 VAL 9 -3.521 -6.178 -0.549 44 HG22 VAL 9 2HG2 VAL 9 -4.856 -6.347 -1.690 45 HG23 VAL 9 3HG2 VAL 9 -5.033 -6.926 -0.033 46 H LYS 10 H LYS 10 -6.139 -8.454 1.206 47 HA LYS 10 HA LYS 10 -8.696 -8.802 0.054 48 HB2 LYS 10 1HB LYS 10 -7.611 -7.489 2.492 49 HB3 LYS 10 2HB LYS 10 -9.224 -7.016 1.974 50 HG2 LYS 10 1HG LYS 10 -10.126 -9.056 2.441 51 HG3 LYS 10 2HG LYS 10 -8.611 -9.916 2.158 52 HD2 LYS 10 1HD LYS 10 -8.937 -10.043 4.476 53 HD3 LYS 10 2HD LYS 10 -7.760 -8.744 4.266 54 HE2 LYS 10 1HE LYS 10 -9.436 -7.077 4.583 55 HE3 LYS 10 2HE LYS 10 -10.725 -8.278 4.521 56 HZ1 LYS 10 1HZ LYS 10 -9.055 -7.495 6.728 57 HZ2 LYS 10 2HZ LYS 10 -9.165 -9.172 6.538 58 HZ3 LYS 10 3HZ LYS 10 -10.569 -8.249 6.733 59 H VAL 11 H VAL 11 -10.178 -7.270 -0.728 60 HA VAL 11 HA VAL 11 -8.924 -4.826 -1.795 61 HB VAL 11 HB VAL 11 -11.293 -6.355 -2.881 62 HG11 VAL 11 1HG1 VAL 11 -11.324 -3.859 -3.200 63 HG12 VAL 11 2HG1 VAL 11 -9.847 -4.038 -4.148 64 HG13 VAL 11 3HG1 VAL 11 -11.339 -4.810 -4.684 65 HG21 VAL 11 1HG2 VAL 11 -9.874 -7.550 -4.105 66 HG22 VAL 11 2HG2 VAL 11 -9.043 -6.097 -4.658 67 HG23 VAL 11 3HG2 VAL 11 -8.557 -6.870 -3.149 68 H LEU 12 H LEU 12 -9.394 -3.317 -0.267 69 HA LEU 12 HA LEU 12 -11.967 -3.156 0.995 70 HB2 LEU 12 1HB LEU 12 -9.787 -1.079 0.963 71 HB3 LEU 12 2HB LEU 12 -11.108 -1.223 2.121 72 HG LEU 12 HG LEU 12 -8.968 -3.320 1.834 73 HD11 LEU 12 1HD1 LEU 12 -8.877 -0.690 3.154 74 HD12 LEU 12 2HD1 LEU 12 -7.569 -1.721 2.577 75 HD13 LEU 12 3HD1 LEU 12 -8.337 -2.057 4.128 76 HD21 LEU 12 1HD2 LEU 12 -11.388 -3.086 3.332 77 HD22 LEU 12 2HD2 LEU 12 -10.018 -3.100 4.443 78 HD23 LEU 12 3HD2 LEU 12 -10.232 -4.417 3.289 79 H VAL 13 H VAL 13 -13.502 -1.492 0.769 80 HA VAL 13 HA VAL 13 -13.299 0.075 -1.718 81 HB VAL 13 HB VAL 13 -15.812 -0.191 -1.902 82 HG11 VAL 13 1HG1 VAL 13 -14.009 -2.579 -2.255 83 HG12 VAL 13 2HG1 VAL 13 -15.633 -2.457 -2.934 84 HG13 VAL 13 3HG1 VAL 13 -14.377 -1.328 -3.442 85 HG21 VAL 13 1HG2 VAL 13 -15.978 -2.740 -0.648 86 HG22 VAL 13 2HG2 VAL 13 -15.421 -1.565 0.544 87 HG23 VAL 13 3HG2 VAL 13 -16.929 -1.290 -0.328 88 H GLY 14 H GLY 14 -14.683 2.000 -1.764 89 HA2 GLY 14 1HA GLY 14 -14.405 3.529 0.605 90 HA3 GLY 14 2HA GLY 14 -15.269 4.022 -0.844 91 H LYS 15 H LYS 15 -16.649 1.192 -0.105 92 HA LYS 15 HA LYS 15 -18.876 2.503 1.243 93 HB2 LYS 15 1HB LYS 15 -19.142 1.025 -0.813 94 HB3 LYS 15 2HB LYS 15 -18.777 -0.338 0.237 95 HG2 LYS 15 1HG LYS 15 -20.730 0.019 1.530 96 HG3 LYS 15 2HG LYS 15 -21.024 1.586 0.771 97 HD2 LYS 15 1HD LYS 15 -21.006 -1.004 -0.764 98 HD3 LYS 15 2HD LYS 15 -22.466 -0.327 -0.038 99 HE2 LYS 15 1HE LYS 15 -22.104 1.742 -1.347 100 HE3 LYS 15 2HE LYS 15 -20.716 0.978 -2.121 101 HZ1 LYS 15 1HZ LYS 15 -23.377 0.826 -2.889 102 HZ2 LYS 15 2HZ LYS 15 -22.966 -0.712 -2.318 103 HZ3 LYS 15 3HZ LYS 15 -22.063 -0.001 -3.559 104 H ASN 16 H ASN 16 -16.794 -0.346 1.663 105 HA ASN 16 HA ASN 16 -17.486 -0.309 4.526 106 HB2 ASN 16 1HB ASN 16 -17.226 -2.750 4.564 107 HB3 ASN 16 2HB ASN 16 -18.486 -2.266 3.432 108 HD21 ASN 16 1HD2 ASN 16 -15.181 -3.384 3.721 109 HD22 ASN 16 2HD2 ASN 16 -15.056 -4.022 2.120 110 H PHE 17 H PHE 17 -15.280 0.982 3.055 111 HA PHE 17 HA PHE 17 -12.855 -0.330 3.247 112 HB2 PHE 17 1HB PHE 17 -12.638 1.707 2.202 113 HB3 PHE 17 2HB PHE 17 -13.689 2.529 3.350 114 HD1 PHE 17 2HD PHE 17 -10.420 0.723 3.407 115 HD2 PHE 17 1HD PHE 17 -12.683 4.098 4.672 116 HE1 PHE 17 2HE PHE 17 -8.443 1.605 4.577 117 HE2 PHE 17 1HE PHE 17 -10.710 4.987 5.843 118 HZ PHE 17 HZ PHE 17 -8.587 3.739 5.797 119 H GLU 18 H GLU 18 -14.016 2.033 5.656 120 HA GLU 18 HA GLU 18 -12.169 1.374 7.635 121 HB2 GLU 18 1HB GLU 18 -14.957 2.506 7.922 122 HB3 GLU 18 2HB GLU 18 -13.761 2.466 9.210 123 HG2 GLU 18 1HG GLU 18 -12.406 4.043 8.173 124 HG3 GLU 18 2HG GLU 18 -13.160 3.796 6.599 125 H ASP 19 H ASP 19 -15.292 -0.028 6.866 126 HA ASP 19 HA ASP 19 -15.818 -1.496 9.142 127 HB2 ASP 19 1HB ASP 19 -16.443 -1.846 6.252 128 HB3 ASP 19 2HB ASP 19 -16.723 -3.220 7.318 129 H VAL 20 H VAL 20 -13.630 -2.257 6.480 130 HA VAL 20 HA VAL 20 -12.826 -4.735 7.817 131 HB VAL 20 HB VAL 20 -12.196 -3.652 5.072 132 HG11 VAL 20 1HG1 VAL 20 -10.228 -4.775 5.715 133 HG12 VAL 20 2HG1 VAL 20 -11.130 -6.070 6.506 134 HG13 VAL 20 3HG1 VAL 20 -11.137 -5.936 4.747 135 HG21 VAL 20 1HG2 VAL 20 -13.326 -6.234 5.009 136 HG22 VAL 20 2HG2 VAL 20 -14.295 -5.278 6.130 137 HG23 VAL 20 3HG2 VAL 20 -14.052 -4.718 4.476 138 H ALA 21 H ALA 21 -11.275 -1.894 6.316 139 HA ALA 21 HA ALA 21 -8.677 -2.293 7.069 140 HB1 ALA 21 1HB ALA 21 -8.634 -0.387 5.916 141 HB2 ALA 21 2HB ALA 21 -10.301 0.003 6.342 142 HB3 ALA 21 3HB ALA 21 -8.988 0.424 7.442 143 H PHE 22 H PHE 22 -10.931 -0.247 8.937 144 HA PHE 22 HA PHE 22 -9.240 -0.330 11.252 145 HB2 PHE 22 1HB PHE 22 -11.965 0.822 10.695 146 HB3 PHE 22 2HB PHE 22 -11.280 0.827 12.317 147 HD1 PHE 22 2HD PHE 22 -8.559 1.528 12.048 148 HD2 PHE 22 1HD PHE 22 -11.874 2.910 9.764 149 HE1 PHE 22 2HE PHE 22 -7.332 3.595 11.524 150 HE2 PHE 22 1HE PHE 22 -10.652 4.979 9.236 151 HZ PHE 22 HZ PHE 22 -8.379 5.324 10.117 152 H ASP 23 H ASP 23 -9.063 -2.485 11.858 153 HA ASP 23 HA ASP 23 -11.512 -3.651 13.008 154 HB2 ASP 23 1HB ASP 23 -10.610 -4.805 10.914 155 HB3 ASP 23 2HB ASP 23 -9.236 -5.291 11.903 156 H GLU 24 H GLU 24 -11.413 -4.017 15.122 157 HA GLU 24 HA GLU 24 -9.117 -3.396 16.645 158 HB2 GLU 24 1HB GLU 24 -11.178 -3.069 17.727 159 HB3 GLU 24 2HB GLU 24 -11.758 -4.672 17.299 160 HG2 GLU 24 1HG GLU 24 -10.663 -5.686 19.012 161 HG3 GLU 24 2HG GLU 24 -9.361 -4.497 19.031 162 H LYS 25 H LYS 25 -7.816 -4.753 17.946 163 HA LYS 25 HA LYS 25 -6.391 -6.512 18.216 164 HB2 LYS 25 1HB LYS 25 -8.962 -8.062 17.848 165 HB3 LYS 25 2HB LYS 25 -7.476 -8.708 18.533 166 HG2 LYS 25 1HG LYS 25 -8.914 -6.351 19.717 167 HG3 LYS 25 2HG LYS 25 -9.270 -8.020 20.170 168 HD2 LYS 25 1HD LYS 25 -7.687 -7.668 21.736 169 HD3 LYS 25 2HD LYS 25 -6.573 -7.999 20.408 170 HE2 LYS 25 1HE LYS 25 -6.311 -5.647 19.976 171 HE3 LYS 25 2HE LYS 25 -7.557 -5.249 21.157 172 HZ1 LYS 25 1HZ LYS 25 -5.118 -6.718 21.942 173 HZ2 LYS 25 2HZ LYS 25 -6.180 -5.836 22.918 174 HZ3 LYS 25 3HZ LYS 25 -5.134 -5.028 21.862 175 H LYS 26 H LYS 26 -6.602 -5.515 15.547 176 HA LYS 26 HA LYS 26 -5.476 -7.781 14.148 177 HB2 LYS 26 1HB LYS 26 -7.751 -8.136 13.524 178 HB3 LYS 26 2HB LYS 26 -8.003 -6.424 13.212 179 HG2 LYS 26 1HG LYS 26 -7.811 -7.254 11.085 180 HG3 LYS 26 2HG LYS 26 -6.148 -6.762 11.414 181 HD2 LYS 26 1HD LYS 26 -6.248 -8.982 10.380 182 HD3 LYS 26 2HD LYS 26 -5.572 -9.054 12.009 183 HE2 LYS 26 1HE LYS 26 -8.500 -9.429 11.728 184 HE3 LYS 26 2HE LYS 26 -7.461 -10.732 11.154 185 HZ1 LYS 26 1HZ LYS 26 -7.257 -11.398 13.240 186 HZ2 LYS 26 2HZ LYS 26 -8.172 -10.090 13.800 187 HZ3 LYS 26 3HZ LYS 26 -6.494 -9.941 13.638 188 H ASN 27 H ASN 27 -3.732 -7.093 13.105 189 HA ASN 27 HA ASN 27 -3.384 -4.235 12.650 190 HB2 ASN 27 1HB ASN 27 -1.384 -6.468 12.249 191 HB3 ASN 27 2HB ASN 27 -1.042 -4.741 12.312 192 HD21 ASN 27 1HD2 ASN 27 -1.623 -7.603 14.110 193 HD22 ASN 27 2HD2 ASN 27 -1.370 -6.931 15.682 194 H VAL 28 H VAL 28 -4.698 -3.864 10.860 195 HA VAL 28 HA VAL 28 -4.186 -5.373 8.417 196 HB VAL 28 HB VAL 28 -6.150 -3.123 8.869 197 HG11 VAL 28 1HG1 VAL 28 -5.381 -4.730 6.548 198 HG12 VAL 28 2HG1 VAL 28 -7.120 -4.681 6.847 199 HG13 VAL 28 3HG1 VAL 28 -6.219 -3.180 6.630 200 HG21 VAL 28 1HG2 VAL 28 -6.631 -6.101 8.911 201 HG22 VAL 28 2HG2 VAL 28 -6.598 -5.053 10.330 202 HG23 VAL 28 3HG2 VAL 28 -7.849 -4.841 9.105 203 H PHE 29 H PHE 29 -3.064 -4.626 6.715 204 HA PHE 29 HA PHE 29 -2.037 -1.870 6.874 205 HB2 PHE 29 1HB PHE 29 -0.303 -3.620 7.133 206 HB3 PHE 29 2HB PHE 29 -0.744 -4.266 5.556 207 HD1 PHE 29 1HD PHE 29 -0.712 -0.667 6.182 208 HD2 PHE 29 2HD PHE 29 1.488 -3.985 4.677 209 HE1 PHE 29 1HE PHE 29 0.876 0.876 5.110 210 HE2 PHE 29 2HE PHE 29 3.080 -2.447 3.604 211 HZ PHE 29 HZ PHE 29 2.776 -0.013 3.820 212 H VAL 30 H VAL 30 -3.430 -0.752 5.607 213 HA VAL 30 HA VAL 30 -4.344 -1.809 3.077 214 HB VAL 30 HB VAL 30 -4.734 0.974 4.182 215 HG11 VAL 30 1HG1 VAL 30 -5.269 1.033 1.909 216 HG12 VAL 30 2HG1 VAL 30 -5.984 -0.580 1.940 217 HG13 VAL 30 3HG1 VAL 30 -6.820 0.772 2.705 218 HG21 VAL 30 1HG2 VAL 30 -5.659 -0.432 5.817 219 HG22 VAL 30 2HG2 VAL 30 -7.024 0.027 4.800 220 HG23 VAL 30 3HG2 VAL 30 -6.284 -1.563 4.617 221 H GLU 31 H GLU 31 -4.068 -0.658 1.049 222 HA GLU 31 HA GLU 31 -1.653 1.002 0.904 223 HB2 GLU 31 1HB GLU 31 -0.719 -1.036 0.272 224 HB3 GLU 31 2HB GLU 31 -2.184 -1.569 -0.539 225 HG2 GLU 31 1HG GLU 31 -1.762 0.189 -2.267 226 HG3 GLU 31 2HG GLU 31 -0.199 0.470 -1.503 227 H PHE 32 H PHE 32 -2.504 2.881 0.248 228 HA PHE 32 HA PHE 32 -4.703 2.985 -1.615 229 HB2 PHE 32 1HB PHE 32 -3.029 5.172 -0.365 230 HB3 PHE 32 2HB PHE 32 -4.432 5.455 -1.389 231 HD1 PHE 32 1HD PHE 32 -6.681 4.722 -0.618 232 HD2 PHE 32 2HD PHE 32 -3.262 4.627 1.916 233 HE1 PHE 32 1HE PHE 32 -8.149 4.578 1.352 234 HE2 PHE 32 2HE PHE 32 -4.725 4.481 3.890 235 HZ PHE 32 HZ PHE 32 -7.171 4.456 3.609 236 H TYR 33 H TYR 33 -4.097 2.278 -3.606 237 HA TYR 33 HA TYR 33 -1.770 3.566 -4.862 238 HB2 TYR 33 1HB TYR 33 -1.692 1.707 -6.394 239 HB3 TYR 33 2HB TYR 33 -1.785 1.070 -4.756 240 HD1 TYR 33 2HD TYR 33 -3.792 1.739 -7.802 241 HD2 TYR 33 1HD TYR 33 -3.536 -0.371 -4.116 242 HE1 TYR 33 2HE TYR 33 -5.750 0.396 -8.441 243 HE2 TYR 33 1HE TYR 33 -5.493 -1.721 -4.746 244 HH TYR 33 HH TYR 33 -7.215 -1.899 -6.203 245 H ALA 34 H ALA 34 -2.095 3.660 -7.375 246 HA ALA 34 HA ALA 34 -4.776 4.736 -7.946 247 HB1 ALA 34 1HB ALA 34 -2.133 6.038 -8.237 248 HB2 ALA 34 2HB ALA 34 -3.315 6.315 -9.517 249 HB3 ALA 34 3HB ALA 34 -3.707 6.735 -7.850 250 HA PRO 35 HA PRO 35 -4.618 1.993 -11.404 251 HB2 PRO 35 1HB PRO 35 -6.688 3.047 -12.809 252 HB3 PRO 35 2HB PRO 35 -6.914 2.062 -11.359 253 HG2 PRO 35 1HG PRO 35 -6.960 5.041 -11.652 254 HG3 PRO 35 2HG PRO 35 -8.043 3.992 -10.719 255 HD2 PRO 35 1HD PRO 35 -6.020 5.382 -9.576 256 HD3 PRO 35 2HD PRO 35 -6.556 3.803 -8.968 257 H TRP 36 H TRP 36 -3.758 5.218 -11.445 258 HA TRP 36 HA TRP 36 -2.930 5.037 -14.266 259 HB2 TRP 36 1HB TRP 36 -3.004 7.694 -13.956 260 HB3 TRP 36 2HB TRP 36 -4.402 6.767 -14.495 261 HD1 TRP 36 HD TRP 36 -6.461 6.570 -12.837 262 HE1 TRP 36 1HE TRP 36 -7.089 7.823 -10.679 263 HE3 TRP 36 3HE TRP 36 -1.960 8.781 -11.844 264 HZ2 TRP 36 2HZ TRP 36 -5.841 9.525 -8.804 265 HZ3 TRP 36 3HZ TRP 36 -1.761 10.207 -9.848 266 HH2 TRP 36 HH TRP 36 -3.663 10.570 -8.361 267 H CYS 37 H CYS 37 -2.192 6.246 -11.038 268 HA CYS 37 HA CYS 37 0.207 7.513 -11.442 269 HB2 CYS 37 1HB CYS 37 -0.981 7.306 -9.258 270 HB3 CYS 37 2HB CYS 37 -0.402 5.649 -9.140 271 HG CYS 37 HG CYS 37 2.359 6.806 -9.461 272 H GLY 38 H GLY 38 2.145 6.938 -12.177 273 HA2 GLY 38 1HA GLY 38 2.682 4.382 -13.203 274 HA3 GLY 38 2HA GLY 38 3.879 5.641 -12.937 275 H HIS 39 H HIS 39 4.504 5.917 -10.556 276 HA HIS 39 HA HIS 39 5.913 3.821 -9.624 277 HB2 HIS 39 1HB HIS 39 4.489 5.948 -8.023 278 HB3 HIS 39 2HB HIS 39 5.629 4.815 -7.304 279 HD1 HIS 39 1HD HIS 39 6.167 7.850 -7.286 280 HD2 HIS 39 2HD HIS 39 7.603 5.234 -10.176 281 HE1 HIS 39 1HE HIS 39 8.187 8.979 -8.270 282 HE2 HIS 39 2HE HIS 39 8.989 7.416 -10.075 283 H CYS 40 H CYS 40 2.486 4.397 -9.037 284 HA CYS 40 HA CYS 40 2.112 2.309 -7.166 285 HB2 CYS 40 1HB CYS 40 0.162 3.680 -9.025 286 HB3 CYS 40 2HB CYS 40 -0.310 2.547 -7.765 287 HG CYS 40 HG CYS 40 -0.859 4.667 -6.347 288 H LYS 41 H LYS 41 1.736 2.475 -10.683 289 HA LYS 41 HA LYS 41 0.613 0.007 -11.183 290 HB2 LYS 41 1HB LYS 41 2.493 1.754 -12.722 291 HB3 LYS 41 2HB LYS 41 2.113 0.151 -13.338 292 HG2 LYS 41 1HG LYS 41 -0.097 0.675 -13.727 293 HG3 LYS 41 2HG LYS 41 -0.098 1.996 -12.555 294 HD2 LYS 41 1HD LYS 41 1.075 3.427 -14.012 295 HD3 LYS 41 2HD LYS 41 1.545 2.095 -15.071 296 HE2 LYS 41 1HE LYS 41 -1.332 2.846 -14.647 297 HE3 LYS 41 2HE LYS 41 -0.333 3.646 -15.861 298 HZ1 LYS 41 1HZ LYS 41 -1.111 0.793 -15.731 299 HZ2 LYS 41 2HZ LYS 41 0.155 1.335 -16.712 300 HZ3 LYS 41 3HZ LYS 41 -1.417 1.906 -16.968 301 H GLN 42 H GLN 42 3.799 0.750 -10.080 302 HA GLN 42 HA GLN 42 4.849 -1.875 -10.745 303 HB2 GLN 42 1HB GLN 42 6.023 0.550 -9.399 304 HB3 GLN 42 2HB GLN 42 6.878 -0.985 -9.467 305 HG2 GLN 42 1HG GLN 42 5.834 0.175 -11.996 306 HG3 GLN 42 2HG GLN 42 7.273 0.883 -11.265 307 HE21 GLN 42 1HE2 GLN 42 6.640 -0.861 -13.708 308 HE22 GLN 42 2HE2 GLN 42 7.850 -2.093 -13.642 309 H LEU 43 H LEU 43 3.308 -0.289 -8.117 310 HA LEU 43 HA LEU 43 4.276 -2.108 -6.094 311 HB2 LEU 43 1HB LEU 43 3.548 0.343 -5.794 312 HB3 LEU 43 2HB LEU 43 1.905 -0.294 -5.810 313 HG LEU 43 HG LEU 43 2.532 -1.731 -3.859 314 HD11 LEU 43 1HD1 LEU 43 5.127 -0.592 -4.449 315 HD12 LEU 43 2HD1 LEU 43 4.700 -1.966 -3.430 316 HD13 LEU 43 3HD1 LEU 43 4.657 -0.332 -2.769 317 HD21 LEU 43 1HD2 LEU 43 2.602 0.215 -2.243 318 HD22 LEU 43 2HD2 LEU 43 1.269 0.209 -3.398 319 HD23 LEU 43 3HD2 LEU 43 2.657 1.267 -3.658 320 H ALA 44 H ALA 44 1.772 -2.064 -8.411 321 HA ALA 44 HA ALA 44 -0.307 -3.440 -7.252 322 HB1 ALA 44 1HB ALA 44 0.120 -4.529 -9.854 323 HB2 ALA 44 2HB ALA 44 -1.074 -3.342 -9.330 324 HB3 ALA 44 3HB ALA 44 0.516 -2.811 -9.878 325 HA PRO 45 HA PRO 45 1.909 -7.623 -8.278 326 HB2 PRO 45 1HB PRO 45 4.557 -7.494 -8.864 327 HB3 PRO 45 2HB PRO 45 3.295 -7.389 -10.096 328 HG2 PRO 45 1HG PRO 45 4.854 -5.192 -8.790 329 HG3 PRO 45 2HG PRO 45 4.420 -5.394 -10.498 330 HD2 PRO 45 1HD PRO 45 3.072 -3.733 -8.838 331 HD3 PRO 45 2HD PRO 45 2.284 -4.587 -10.180 332 H ILE 46 H ILE 46 4.331 -5.345 -6.972 333 HA ILE 46 HA ILE 46 5.455 -7.028 -5.074 334 HB ILE 46 HB ILE 46 5.074 -4.039 -4.859 335 HG12 ILE 46 1HG1 ILE 46 7.638 -5.324 -5.683 336 HG13 ILE 46 2HG1 ILE 46 6.345 -5.224 -6.872 337 HG21 ILE 46 1HG2 ILE 46 5.791 -4.471 -2.760 338 HG22 ILE 46 2HG2 ILE 46 6.493 -6.026 -3.202 339 HG23 ILE 46 3HG2 ILE 46 7.365 -4.534 -3.553 340 HD11 ILE 46 1HD1 ILE 46 8.169 -3.202 -5.992 341 HD12 ILE 46 2HD1 ILE 46 7.019 -3.171 -7.329 342 HD13 ILE 46 3HD1 ILE 46 6.506 -2.686 -5.712 343 H TRP 47 H TRP 47 2.579 -4.997 -4.865 344 HA TRP 47 HA TRP 47 2.140 -5.435 -2.083 345 HB2 TRP 47 1HB TRP 47 1.225 -3.515 -3.465 346 HB3 TRP 47 2HB TRP 47 0.058 -4.656 -4.127 347 HD1 TRP 47 HD TRP 47 -2.160 -4.797 -2.858 348 HE1 TRP 47 1HE TRP 47 -2.990 -4.123 -0.516 349 HE3 TRP 47 3HE TRP 47 2.278 -3.268 -0.832 350 HZ2 TRP 47 2HZ TRP 47 -1.907 -3.080 1.872 351 HZ3 TRP 47 3HZ TRP 47 2.295 -2.445 1.486 352 HH2 TRP 47 HH TRP 47 0.245 -2.353 2.809 353 H ASP 48 H ASP 48 1.068 -7.016 -5.035 354 HA ASP 48 HA ASP 48 -0.855 -8.701 -3.770 355 HB2 ASP 48 1HB ASP 48 -1.305 -8.523 -6.020 356 HB3 ASP 48 2HB ASP 48 0.398 -8.535 -6.470 357 H LYS 49 H LYS 49 2.569 -8.834 -4.237 358 HA LYS 49 HA LYS 49 2.795 -11.668 -3.764 359 HB2 LYS 49 1HB LYS 49 4.784 -9.422 -4.014 360 HB3 LYS 49 2HB LYS 49 5.280 -11.039 -3.530 361 HG2 LYS 49 1HG LYS 49 4.920 -11.922 -5.597 362 HG3 LYS 49 2HG LYS 49 3.642 -10.770 -5.990 363 HD2 LYS 49 1HD LYS 49 5.402 -10.110 -7.365 364 HD3 LYS 49 2HD LYS 49 5.529 -9.012 -5.989 365 HE2 LYS 49 1HE LYS 49 7.121 -10.895 -5.065 366 HE3 LYS 49 2HE LYS 49 7.275 -11.296 -6.774 367 HZ1 LYS 49 1HZ LYS 49 8.292 -9.015 -5.311 368 HZ2 LYS 49 2HZ LYS 49 7.617 -8.645 -6.818 369 HZ3 LYS 49 3HZ LYS 49 8.887 -9.758 -6.710 370 H LEU 50 H LEU 50 2.758 -8.772 -1.864 371 HA LEU 50 HA LEU 50 3.888 -10.049 0.479 372 HB2 LEU 50 1HB LEU 50 4.490 -7.853 0.511 373 HB3 LEU 50 2HB LEU 50 2.997 -7.320 -0.259 374 HG LEU 50 HG LEU 50 1.861 -7.803 1.968 375 HD11 LEU 50 1HD1 LEU 50 3.838 -7.377 3.772 376 HD12 LEU 50 2HD1 LEU 50 4.653 -8.430 2.616 377 HD13 LEU 50 3HD1 LEU 50 3.158 -8.958 3.387 378 HD21 LEU 50 1HD2 LEU 50 2.570 -5.547 1.017 379 HD22 LEU 50 2HD2 LEU 50 3.944 -5.644 2.119 380 HD23 LEU 50 3HD2 LEU 50 2.300 -5.637 2.757 381 H GLY 51 H GLY 51 0.732 -9.084 -0.741 382 HA2 GLY 51 1HA GLY 51 -0.760 -9.430 1.610 383 HA3 GLY 51 2HA GLY 51 -1.393 -9.568 -0.024 384 H GLU 52 H GLU 52 0.101 -11.753 -0.926 385 HA GLU 52 HA GLU 52 -1.438 -13.894 0.054 386 HB2 GLU 52 1HB GLU 52 -0.294 -15.251 -1.478 387 HB3 GLU 52 2HB GLU 52 -0.281 -13.658 -2.221 388 HG2 GLU 52 1HG GLU 52 1.990 -13.307 -1.631 389 HG3 GLU 52 2HG GLU 52 2.005 -14.733 -0.596 390 H THR 53 H THR 53 1.654 -12.618 0.990 391 HA THR 53 HA THR 53 2.609 -14.890 2.395 392 HB THR 53 HB THR 53 3.294 -11.966 2.754 393 HG1 THR 53 1HG THR 53 4.730 -14.027 1.409 394 HG21 THR 53 1HG2 THR 53 5.351 -12.821 3.840 395 HG22 THR 53 2HG2 THR 53 4.670 -14.447 3.788 396 HG23 THR 53 3HG2 THR 53 3.890 -13.194 4.753 397 H TYR 54 H TYR 54 0.585 -12.158 3.283 398 HA TYR 54 HA TYR 54 0.206 -13.382 5.938 399 HB2 TYR 54 1HB TYR 54 -0.038 -10.450 5.235 400 HB3 TYR 54 2HB TYR 54 -0.232 -11.158 6.835 401 HD1 TYR 54 2HD TYR 54 2.235 -10.563 4.129 402 HD2 TYR 54 1HD TYR 54 1.630 -11.510 8.233 403 HE1 TYR 54 2HE TYR 54 4.639 -10.261 4.547 404 HE2 TYR 54 1HE TYR 54 4.033 -11.209 8.663 405 HH TYR 54 HH TYR 54 6.035 -10.847 7.755 406 H LYS 55 H LYS 55 -1.250 -14.029 3.543 407 HA LYS 55 HA LYS 55 -3.794 -12.697 3.639 408 HB2 LYS 55 1HB LYS 55 -4.437 -14.096 1.865 409 HB3 LYS 55 2HB LYS 55 -2.719 -13.825 1.605 410 HG2 LYS 55 1HG LYS 55 -2.326 -16.017 2.802 411 HG3 LYS 55 2HG LYS 55 -4.066 -16.286 2.674 412 HD2 LYS 55 1HD LYS 55 -3.995 -16.556 0.400 413 HD3 LYS 55 2HD LYS 55 -2.570 -15.531 0.215 414 HE2 LYS 55 1HE LYS 55 -1.620 -17.570 -0.162 415 HE3 LYS 55 2HE LYS 55 -1.432 -17.482 1.588 416 HZ1 LYS 55 1HZ LYS 55 -2.318 -19.579 1.216 417 HZ2 LYS 55 2HZ LYS 55 -3.391 -19.041 0.024 418 HZ3 LYS 55 3HZ LYS 55 -3.676 -18.668 1.649 419 H ASP 56 H ASP 56 -2.389 -15.591 5.007 420 HA ASP 56 HA ASP 56 -4.966 -16.188 6.307 421 HB2 ASP 56 1HB ASP 56 -2.666 -18.077 5.760 422 HB3 ASP 56 2HB ASP 56 -4.192 -18.503 6.529 423 H HIS 57 H HIS 57 -2.778 -14.308 7.109 424 HA HIS 57 HA HIS 57 -1.365 -15.399 9.300 425 HB2 HIS 57 1HB HIS 57 -1.207 -13.066 7.947 426 HB3 HIS 57 2HB HIS 57 -2.060 -12.521 9.388 427 HD1 HIS 57 1HD HIS 57 -0.751 -12.467 11.589 428 HD2 HIS 57 2HD HIS 57 1.444 -13.929 8.379 429 HE1 HIS 57 1HE HIS 57 1.633 -12.548 12.386 430 HE2 HIS 57 2HE HIS 57 2.954 -13.354 10.399 431 H GLU 58 H GLU 58 -1.736 -13.960 11.501 432 HA GLU 58 HA GLU 58 -4.435 -14.737 12.355 433 HB2 GLU 58 1HB GLU 58 -3.587 -14.912 14.571 434 HB3 GLU 58 2HB GLU 58 -2.415 -15.696 13.521 435 HG2 GLU 58 1HG GLU 58 -1.121 -13.536 13.547 436 HG3 GLU 58 2HG GLU 58 -2.209 -13.000 14.826 437 H ASN 59 H ASN 59 -2.071 -12.106 12.733 438 HA ASN 59 HA ASN 59 -4.318 -10.298 13.340 439 HB2 ASN 59 1HB ASN 59 -2.825 -8.956 14.673 440 HB3 ASN 59 2HB ASN 59 -2.685 -10.628 15.209 441 HD21 ASN 59 1HD2 ASN 59 -0.786 -11.722 14.916 442 HD22 ASN 59 2HD2 ASN 59 0.670 -10.961 14.382 443 H ILE 60 H ILE 60 -1.458 -10.852 11.433 444 HA ILE 60 HA ILE 60 -1.462 -8.221 10.248 445 HB ILE 60 HB ILE 60 0.037 -10.686 9.355 446 HG12 ILE 60 1HG1 ILE 60 0.898 -8.440 11.192 447 HG13 ILE 60 2HG1 ILE 60 0.587 -10.104 11.673 448 HG21 ILE 60 1HG2 ILE 60 1.368 -8.229 8.797 449 HG22 ILE 60 2HG2 ILE 60 0.785 -9.453 7.671 450 HG23 ILE 60 3HG2 ILE 60 -0.279 -8.140 8.173 451 HD11 ILE 60 1HD1 ILE 60 2.619 -9.582 9.569 452 HD12 ILE 60 2HD1 ILE 60 3.021 -9.249 11.254 453 HD13 ILE 60 3HD1 ILE 60 2.536 -10.873 10.767 454 H VAL 61 H VAL 61 -3.015 -7.674 8.868 455 HA VAL 61 HA VAL 61 -3.795 -9.625 6.803 456 HB VAL 61 HB VAL 61 -5.534 -7.875 8.496 457 HG11 VAL 61 1HG1 VAL 61 -6.256 -7.071 6.439 458 HG12 VAL 61 2HG1 VAL 61 -6.002 -8.620 5.632 459 HG13 VAL 61 3HG1 VAL 61 -7.354 -8.416 6.747 460 HG21 VAL 61 1HG2 VAL 61 -5.955 -10.656 7.413 461 HG22 VAL 61 2HG2 VAL 61 -5.199 -10.304 8.967 462 HG23 VAL 61 3HG2 VAL 61 -6.879 -9.849 8.681 463 H ILE 62 H ILE 62 -3.076 -8.927 4.907 464 HA ILE 62 HA ILE 62 -2.556 -6.125 4.432 465 HB ILE 62 HB ILE 62 -2.280 -8.489 2.571 466 HG12 ILE 62 1HG1 ILE 62 -0.820 -8.587 4.573 467 HG13 ILE 62 2HG1 ILE 62 0.094 -8.386 3.082 468 HG21 ILE 62 1HG2 ILE 62 -1.057 -5.755 2.281 469 HG22 ILE 62 2HG2 ILE 62 -1.059 -7.072 1.109 470 HG23 ILE 62 3HG2 ILE 62 -2.561 -6.233 1.495 471 HD11 ILE 62 1HD1 ILE 62 0.470 -6.078 3.547 472 HD12 ILE 62 2HD1 ILE 62 -0.624 -6.127 4.930 473 HD13 ILE 62 3HD1 ILE 62 0.902 -7.010 4.980 474 H ALA 63 H ALA 63 -3.579 -4.800 2.959 475 HA ALA 63 HA ALA 63 -5.826 -5.807 1.419 476 HB1 ALA 63 1HB ALA 63 -7.517 -4.580 2.425 477 HB2 ALA 63 2HB ALA 63 -6.589 -5.168 3.805 478 HB3 ALA 63 3HB ALA 63 -6.386 -3.506 3.249 479 H LYS 64 H LYS 64 -6.555 -4.346 -0.195 480 HA LYS 64 HA LYS 64 -4.843 -1.988 -0.607 481 HB2 LYS 64 1HB LYS 64 -4.581 -2.495 -2.930 482 HB3 LYS 64 2HB LYS 64 -4.130 -3.933 -2.023 483 HG2 LYS 64 1HG LYS 64 -6.202 -4.999 -2.553 484 HG3 LYS 64 2HG LYS 64 -6.833 -3.519 -3.279 485 HD2 LYS 64 1HD LYS 64 -5.007 -3.644 -4.966 486 HD3 LYS 64 2HD LYS 64 -4.541 -5.204 -4.284 487 HE2 LYS 64 1HE LYS 64 -7.057 -5.793 -4.687 488 HE3 LYS 64 2HE LYS 64 -6.981 -4.459 -5.836 489 HZ1 LYS 64 1HZ LYS 64 -5.277 -6.890 -5.848 490 HZ2 LYS 64 2HZ LYS 64 -5.098 -5.585 -6.908 491 HZ3 LYS 64 3HZ LYS 64 -6.507 -6.519 -6.948 492 H MET 65 H MET 65 -5.801 -0.226 -1.618 493 HA MET 65 HA MET 65 -8.588 -0.430 -2.442 494 HB2 MET 65 1HB MET 65 -8.476 0.112 0.044 495 HB3 MET 65 2HB MET 65 -7.766 1.652 -0.422 496 HG2 MET 65 1HG MET 65 -9.734 2.307 -1.574 497 HG3 MET 65 2HG MET 65 -10.427 0.693 -1.432 498 HE1 MET 65 1HE MET 65 -10.240 3.986 -0.501 499 HE2 MET 65 2HE MET 65 -11.878 3.864 0.140 500 HE3 MET 65 3HE MET 65 -10.529 4.208 1.225 501 H ASP 66 H ASP 66 -9.191 1.082 -3.949 502 HA ASP 66 HA ASP 66 -7.017 2.608 -5.134 503 HB2 ASP 66 1HB ASP 66 -9.700 2.768 -6.351 504 HB3 ASP 66 2HB ASP 66 -8.139 2.442 -7.098 505 H SER 67 H SER 67 -6.708 4.383 -3.841 506 HA SER 67 HA SER 67 -8.679 5.953 -2.654 507 HB2 SER 67 1HB SER 67 -6.053 5.963 -2.422 508 HB3 SER 67 2HB SER 67 -6.157 7.228 -3.646 509 HG SER 67 HG SER 67 -7.007 7.235 -0.993 510 H THR 68 H THR 68 -7.843 5.650 -5.932 511 HA THR 68 HA THR 68 -8.766 8.277 -6.722 512 HB THR 68 HB THR 68 -8.226 7.682 -8.949 513 HG1 THR 68 1HG THR 68 -8.227 4.987 -8.022 514 HG21 THR 68 1HG2 THR 68 -6.330 7.799 -7.168 515 HG22 THR 68 2HG2 THR 68 -5.957 7.222 -8.792 516 HG23 THR 68 3HG2 THR 68 -6.178 6.070 -7.475 517 H ALA 69 H ALA 69 -10.026 5.036 -6.478 518 HA ALA 69 HA ALA 69 -12.516 5.865 -7.798 519 HB1 ALA 69 1HB ALA 69 -13.057 3.467 -7.874 520 HB2 ALA 69 2HB ALA 69 -11.533 3.834 -8.684 521 HB3 ALA 69 3HB ALA 69 -11.525 3.110 -7.076 522 H ASN 70 H ASN 70 -11.149 5.386 -4.742 523 HA ASN 70 HA ASN 70 -13.806 5.531 -3.512 524 HB2 ASN 70 1HB ASN 70 -11.603 3.769 -2.425 525 HB3 ASN 70 2HB ASN 70 -13.257 3.898 -1.834 526 HD21 ASN 70 1HD2 ASN 70 -11.146 2.411 -4.060 527 HD22 ASN 70 2HD2 ASN 70 -12.312 1.409 -4.849 528 H GLU 71 H GLU 71 -13.938 7.196 -2.165 529 HA GLU 71 HA GLU 71 -11.449 8.230 -0.971 530 HB2 GLU 71 1HB GLU 71 -12.825 9.602 -2.769 531 HB3 GLU 71 2HB GLU 71 -13.817 10.002 -1.374 532 HG2 GLU 71 1HG GLU 71 -12.145 11.709 -1.763 533 HG3 GLU 71 2HG GLU 71 -11.861 10.894 -0.226 534 H VAL 72 H VAL 72 -11.408 8.605 1.182 535 HA VAL 72 HA VAL 72 -13.915 8.481 2.694 536 HB VAL 72 HB VAL 72 -12.811 6.998 4.385 537 HG11 VAL 72 1HG1 VAL 72 -14.411 5.921 3.089 538 HG12 VAL 72 2HG1 VAL 72 -13.450 6.055 1.615 539 HG13 VAL 72 3HG1 VAL 72 -12.981 4.912 2.874 540 HG21 VAL 72 1HG2 VAL 72 -10.533 7.099 4.017 541 HG22 VAL 72 2HG2 VAL 72 -10.946 5.547 3.287 542 HG23 VAL 72 3HG2 VAL 72 -10.703 6.964 2.266 543 H GLU 73 H GLU 73 -13.945 9.700 4.540 544 HA GLU 73 HA GLU 73 -11.958 11.737 4.780 545 HB2 GLU 73 1HB GLU 73 -13.330 12.629 6.551 546 HB3 GLU 73 2HB GLU 73 -14.371 12.113 5.232 547 HG2 GLU 73 1HG GLU 73 -14.974 10.112 6.425 548 HG3 GLU 73 2HG GLU 73 -13.833 10.497 7.712 549 H ALA 74 H ALA 74 -12.635 8.730 6.411 550 HA ALA 74 HA ALA 74 -11.200 9.099 8.775 551 HB1 ALA 74 1HB ALA 74 -11.062 6.424 7.530 552 HB2 ALA 74 2HB ALA 74 -11.564 6.899 9.153 553 HB3 ALA 74 3HB ALA 74 -12.674 7.088 7.797 554 H VAL 75 H VAL 75 -10.075 8.995 5.588 555 HA VAL 75 HA VAL 75 -7.324 9.058 6.504 556 HB VAL 75 HB VAL 75 -8.370 6.903 4.688 557 HG11 VAL 75 1HG1 VAL 75 -5.516 7.856 4.904 558 HG12 VAL 75 2HG1 VAL 75 -6.047 6.394 4.071 559 HG13 VAL 75 3HG1 VAL 75 -6.554 7.978 3.483 560 HG21 VAL 75 1HG2 VAL 75 -6.574 5.695 6.216 561 HG22 VAL 75 2HG2 VAL 75 -6.932 7.052 7.284 562 HG23 VAL 75 3HG2 VAL 75 -8.227 5.972 6.767 563 H LYS 76 H LYS 76 -6.327 10.656 5.482 564 HA LYS 76 HA LYS 76 -7.440 11.613 2.939 565 HB2 LYS 76 1HB LYS 76 -5.606 12.986 4.914 566 HB3 LYS 76 2HB LYS 76 -6.202 13.703 3.422 567 HG2 LYS 76 1HG LYS 76 -8.134 12.667 5.448 568 HG3 LYS 76 2HG LYS 76 -7.368 14.240 5.675 569 HD2 LYS 76 1HD LYS 76 -8.347 15.128 3.751 570 HD3 LYS 76 2HD LYS 76 -8.705 13.533 3.085 571 HE2 LYS 76 1HE LYS 76 -10.292 13.222 5.028 572 HE3 LYS 76 2HE LYS 76 -10.063 14.935 5.378 573 HZ1 LYS 76 1HZ LYS 76 -10.972 15.514 3.273 574 HZ2 LYS 76 2HZ LYS 76 -12.044 14.425 3.997 575 HZ3 LYS 76 3HZ LYS 76 -11.012 13.901 2.763 576 H VAL 77 H VAL 77 -6.380 11.242 1.112 577 HA VAL 77 HA VAL 77 -3.481 10.726 1.244 578 HB VAL 77 HB VAL 77 -5.322 9.427 -0.757 579 HG11 VAL 77 1HG1 VAL 77 -3.123 9.389 -1.558 580 HG12 VAL 77 2HG1 VAL 77 -2.450 9.068 0.042 581 HG13 VAL 77 3HG1 VAL 77 -3.343 7.807 -0.810 582 HG21 VAL 77 1HG2 VAL 77 -4.261 8.151 1.758 583 HG22 VAL 77 2HG2 VAL 77 -5.899 8.786 1.595 584 HG23 VAL 77 3HG2 VAL 77 -5.367 7.447 0.577 585 H HIS 78 H HIS 78 -2.526 12.454 0.380 586 HA HIS 78 HA HIS 78 -3.718 13.673 -2.018 587 HB2 HIS 78 1HB HIS 78 -1.609 14.907 -0.247 588 HB3 HIS 78 2HB HIS 78 -2.610 15.709 -1.453 589 HD1 HIS 78 1HD HIS 78 -2.387 16.384 1.684 590 HD2 HIS 78 2HD HIS 78 -5.489 14.401 -0.241 591 HE1 HIS 78 1HE HIS 78 -4.401 16.693 3.159 592 HE2 HIS 78 2HE HIS 78 -6.244 15.413 2.016 593 H SER 79 H SER 79 -1.928 11.258 -1.781 594 HA SER 79 HA SER 79 -0.298 11.819 -4.047 595 HB2 SER 79 1HB SER 79 0.945 11.825 -1.338 596 HB3 SER 79 2HB SER 79 1.827 11.031 -2.642 597 HG SER 79 HG SER 79 1.887 12.938 -3.758 598 H PHE 80 H PHE 80 1.080 9.887 -4.622 599 HA PHE 80 HA PHE 80 0.419 7.381 -3.374 600 HB2 PHE 80 1HB PHE 80 -0.439 7.670 -6.243 601 HB3 PHE 80 2HB PHE 80 -0.844 6.396 -5.098 602 HD1 PHE 80 1HD PHE 80 -2.459 6.851 -3.272 603 HD2 PHE 80 2HD PHE 80 -1.732 9.641 -6.404 604 HE1 PHE 80 1HE PHE 80 -4.555 8.015 -2.717 605 HE2 PHE 80 2HE PHE 80 -3.826 10.810 -5.853 606 HZ PHE 80 HZ PHE 80 -5.240 9.998 -4.008 607 HA PRO 81 HA PRO 81 0.447 5.181 -4.194 608 HB2 PRO 81 1HB PRO 81 2.184 3.384 -3.132 609 HB3 PRO 81 2HB PRO 81 1.703 3.367 -4.834 610 HG2 PRO 81 1HG PRO 81 4.183 4.476 -3.577 611 HG3 PRO 81 2HG PRO 81 4.011 3.529 -5.065 612 HD2 PRO 81 1HD PRO 81 4.311 6.220 -5.078 613 HD3 PRO 81 2HD PRO 81 3.359 5.359 -6.305 614 H THR 82 H THR 82 -0.363 5.028 -2.142 615 HA THR 82 HA THR 82 1.259 6.200 0.023 616 HB THR 82 HB THR 82 -1.638 6.642 -0.648 617 HG1 THR 82 1HG THR 82 0.318 8.505 0.225 618 HG21 THR 82 1HG2 THR 82 -1.614 5.980 1.692 619 HG22 THR 82 2HG2 THR 82 -1.903 7.715 1.559 620 HG23 THR 82 3HG2 THR 82 -0.310 7.119 2.022 621 H LEU 83 H LEU 83 1.610 4.872 1.671 622 HA LEU 83 HA LEU 83 -0.225 2.601 2.058 623 HB2 LEU 83 1HB LEU 83 2.655 2.771 2.920 624 HB3 LEU 83 2HB LEU 83 1.611 1.351 2.954 625 HG LEU 83 HG LEU 83 2.616 2.731 0.465 626 HD11 LEU 83 1HD1 LEU 83 4.483 1.658 1.323 627 HD12 LEU 83 2HD1 LEU 83 3.790 0.442 0.252 628 HD13 LEU 83 3HD1 LEU 83 3.538 0.329 1.994 629 HD21 LEU 83 1HD2 LEU 83 1.772 0.409 -0.441 630 HD22 LEU 83 2HD2 LEU 83 0.668 1.773 -0.261 631 HD23 LEU 83 3HD2 LEU 83 0.707 0.502 0.961 632 H LYS 84 H LYS 84 -1.082 2.220 4.043 633 HA LYS 84 HA LYS 84 -0.172 3.843 6.306 634 HB2 LYS 84 1HB LYS 84 -3.079 3.587 5.517 635 HB3 LYS 84 2HB LYS 84 -2.442 4.485 6.888 636 HG2 LYS 84 1HG LYS 84 -1.084 5.702 4.952 637 HG3 LYS 84 2HG LYS 84 -2.486 5.182 4.014 638 HD2 LYS 84 1HD LYS 84 -3.978 6.309 5.550 639 HD3 LYS 84 2HD LYS 84 -2.621 6.745 6.592 640 HE2 LYS 84 1HE LYS 84 -2.560 7.572 3.730 641 HE3 LYS 84 2HE LYS 84 -3.608 8.450 4.843 642 HZ1 LYS 84 1HZ LYS 84 -0.946 8.894 4.449 643 HZ2 LYS 84 2HZ LYS 84 -0.989 8.048 5.913 644 HZ3 LYS 84 3HZ LYS 84 -1.872 9.480 5.738 645 H PHE 85 H PHE 85 0.089 2.637 8.062 646 HA PHE 85 HA PHE 85 -1.000 -0.068 8.091 647 HB2 PHE 85 1HB PHE 85 1.346 0.075 8.581 648 HB3 PHE 85 2HB PHE 85 1.071 1.314 9.802 649 HD1 PHE 85 2HD PHE 85 0.584 -2.256 9.005 650 HD2 PHE 85 1HD PHE 85 0.529 0.744 12.024 651 HE1 PHE 85 2HE PHE 85 0.423 -4.001 10.732 652 HE2 PHE 85 1HE PHE 85 0.370 -0.997 13.756 653 HZ PHE 85 HZ PHE 85 0.315 -3.373 13.111 654 H PHE 86 H PHE 86 -2.622 -0.711 9.362 655 HA PHE 86 HA PHE 86 -3.675 1.220 11.317 656 HB2 PHE 86 1HB PHE 86 -5.142 -1.050 9.959 657 HB3 PHE 86 2HB PHE 86 -5.849 0.175 11.008 658 HD1 PHE 86 1HD PHE 86 -3.739 2.202 9.518 659 HD2 PHE 86 2HD PHE 86 -6.986 -0.307 8.387 660 HE1 PHE 86 1HE PHE 86 -4.159 3.633 7.561 661 HE2 PHE 86 2HE PHE 86 -7.411 1.120 6.428 662 HZ PHE 86 HZ PHE 86 -5.996 3.092 6.012 663 HA PRO 87 HA PRO 87 -2.158 -1.866 14.222 664 HB2 PRO 87 1HB PRO 87 -2.494 -0.294 16.410 665 HB3 PRO 87 2HB PRO 87 -1.109 -0.142 15.322 666 HG2 PRO 87 1HG PRO 87 -3.618 1.487 15.433 667 HG3 PRO 87 2HG PRO 87 -1.942 2.026 15.223 668 HD2 PRO 87 1HD PRO 87 -3.668 1.790 13.149 669 HD3 PRO 87 2HD PRO 87 -1.924 1.506 12.977 670 H ALA 88 H ALA 88 -3.081 -2.810 16.238 671 HA ALA 88 HA ALA 88 -5.868 -3.371 15.864 672 HB1 ALA 88 1HB ALA 88 -5.490 -4.741 18.004 673 HB2 ALA 88 2HB ALA 88 -4.629 -5.223 16.542 674 HB3 ALA 88 3HB ALA 88 -3.789 -4.320 17.802 675 H SER 89 H SER 89 -5.886 -0.754 16.268 676 HA SER 89 HA SER 89 -6.661 -0.379 19.086 677 HB2 SER 89 1HB SER 89 -4.807 1.076 18.317 678 HB3 SER 89 2HB SER 89 -5.862 1.732 17.066 679 HG SER 89 HG SER 89 -6.418 1.846 19.846 680 H ALA 90 H ALA 90 -8.574 0.772 19.555 681 HA ALA 90 HA ALA 90 -10.632 0.449 17.517 682 HB1 ALA 90 1HB ALA 90 -11.791 -0.235 19.283 683 HB2 ALA 90 2HB ALA 90 -10.548 0.343 20.393 684 HB3 ALA 90 3HB ALA 90 -11.816 1.438 19.843 685 H ASP 91 H ASP 91 -8.565 2.848 18.482 686 HA ASP 91 HA ASP 91 -10.448 5.046 18.150 687 HB2 ASP 91 1HB ASP 91 -8.558 5.023 19.871 688 HB3 ASP 91 2HB ASP 91 -7.464 5.279 18.514 689 H ARG 92 H ARG 92 -10.017 3.317 15.903 690 HA ARG 92 HA ARG 92 -9.272 3.296 13.717 691 HB2 ARG 92 1HB ARG 92 -10.263 6.144 13.912 692 HB3 ARG 92 2HB ARG 92 -10.192 5.152 12.462 693 HG2 ARG 92 1HG ARG 92 -12.008 3.882 13.076 694 HG3 ARG 92 2HG ARG 92 -11.796 4.220 14.795 695 HD2 ARG 92 1HD ARG 92 -12.875 6.230 14.673 696 HD3 ARG 92 2HD ARG 92 -12.411 6.499 12.994 697 HE ARG 92 HE ARG 92 -14.310 5.395 12.319 698 HH11 ARG 92 2HH1 ARG 92 -13.804 4.879 15.724 699 HH12 ARG 92 1HH1 ARG 92 -15.354 4.145 15.976 700 HH21 ARG 92 2HH2 ARG 92 -16.353 4.431 12.638 701 HH22 ARG 92 1HH2 ARG 92 -16.802 3.890 14.220 702 H THR 93 H THR 93 -7.081 3.736 15.347 703 HA THR 93 HA THR 93 -5.594 6.044 14.608 704 HB THR 93 HB THR 93 -4.533 3.419 15.670 705 HG1 THR 93 1HG THR 93 -4.776 4.404 17.707 706 HG21 THR 93 1HG2 THR 93 -3.073 5.656 16.595 707 HG22 THR 93 2HG2 THR 93 -3.250 5.839 14.849 708 HG23 THR 93 3HG2 THR 93 -2.528 4.374 15.514 709 H VAL 94 H VAL 94 -4.001 6.317 13.086 710 HA VAL 94 HA VAL 94 -3.525 4.096 11.217 711 HB VAL 94 HB VAL 94 -4.284 6.926 10.520 712 HG11 VAL 94 1HG1 VAL 94 -2.968 4.857 8.767 713 HG12 VAL 94 2HG1 VAL 94 -3.766 6.310 8.163 714 HG13 VAL 94 3HG1 VAL 94 -2.342 6.448 9.196 715 HG21 VAL 94 1HG2 VAL 94 -5.386 4.573 9.114 716 HG22 VAL 94 2HG2 VAL 94 -5.859 4.771 10.801 717 HG23 VAL 94 3HG2 VAL 94 -6.181 6.057 9.638 718 H ILE 95 H ILE 95 -1.454 3.828 10.605 719 HA ILE 95 HA ILE 95 0.495 5.816 11.560 720 HB ILE 95 HB ILE 95 0.843 2.862 11.044 721 HG12 ILE 95 1HG1 ILE 95 1.044 4.463 13.604 722 HG13 ILE 95 2HG1 ILE 95 -0.343 3.484 13.138 723 HG21 ILE 95 1HG2 ILE 95 2.879 4.891 11.957 724 HG22 ILE 95 2HG2 ILE 95 3.134 3.151 11.842 725 HG23 ILE 95 3HG2 ILE 95 2.842 4.097 10.383 726 HD11 ILE 95 1HD1 ILE 95 1.912 2.687 14.582 727 HD12 ILE 95 2HD1 ILE 95 0.601 1.673 13.979 728 HD13 ILE 95 3HD1 ILE 95 2.049 1.916 13.002 729 H ASP 96 H ASP 96 2.132 6.532 10.224 730 HA ASP 96 HA ASP 96 1.618 6.220 7.371 731 HB2 ASP 96 1HB ASP 96 3.361 8.121 8.942 732 HB3 ASP 96 2HB ASP 96 3.340 8.068 7.181 733 H TYR 97 H TYR 97 2.766 4.913 6.118 734 HA TYR 97 HA TYR 97 5.131 3.613 7.208 735 HB2 TYR 97 1HB TYR 97 3.345 2.277 6.111 736 HB3 TYR 97 2HB TYR 97 3.693 3.102 4.596 737 HD1 TYR 97 1HD TYR 97 5.982 2.810 3.560 738 HD2 TYR 97 2HD TYR 97 4.607 0.407 6.791 739 HE1 TYR 97 1HE TYR 97 7.705 1.134 3.039 740 HE2 TYR 97 2HE TYR 97 6.327 -1.275 6.279 741 HH TYR 97 HH TYR 97 8.944 -0.689 4.312 742 H ASN 98 H ASN 98 6.984 4.682 6.969 743 HA ASN 98 HA ASN 98 7.587 5.827 4.323 744 HB2 ASN 98 1HB ASN 98 8.783 6.958 6.833 745 HB3 ASN 98 2HB ASN 98 8.578 7.722 5.260 746 HD21 ASN 98 1HD2 ASN 98 6.718 8.784 4.800 747 HD22 ASN 98 2HD2 ASN 98 5.436 9.014 5.935 748 H GLY 99 H GLY 99 8.439 3.570 4.068 749 HA2 GLY 99 1HA GLY 99 11.218 3.473 5.061 750 HA3 GLY 99 2HA GLY 99 10.206 2.036 5.043 751 H GLU 100 H GLU 100 11.624 0.923 3.681 752 HA GLU 100 HA GLU 100 12.583 1.919 1.225 753 HB2 GLU 100 1HB GLU 100 13.017 -0.481 0.687 754 HB3 GLU 100 2HB GLU 100 13.668 0.034 2.237 755 HG2 GLU 100 1HG GLU 100 11.617 -0.936 3.307 756 HG3 GLU 100 2HG GLU 100 11.215 -1.627 1.736 757 H ARG 101 H ARG 101 9.667 0.147 2.096 758 HA ARG 101 HA ARG 101 7.670 -0.051 1.004 759 HB2 ARG 101 1HB ARG 101 8.309 2.288 0.138 760 HB3 ARG 101 2HB ARG 101 8.812 1.464 -1.332 761 HG2 ARG 101 1HG ARG 101 6.475 0.475 -1.400 762 HG3 ARG 101 2HG ARG 101 6.059 1.657 -0.157 763 HD2 ARG 101 1HD ARG 101 7.284 2.368 -2.816 764 HD3 ARG 101 2HD ARG 101 5.549 2.373 -2.500 765 HE ARG 101 HE ARG 101 7.498 4.303 -1.583 766 HH11 ARG 101 2HH1 ARG 101 4.297 2.988 -1.199 767 HH12 ARG 101 1HH1 ARG 101 3.669 4.401 -0.418 768 HH21 ARG 101 2HH2 ARG 101 6.682 6.170 -0.556 769 HH22 ARG 101 1HH2 ARG 101 5.026 6.211 -0.054 770 H THR 102 H THR 102 9.468 -2.101 0.900 771 HA THR 102 HA THR 102 9.024 -3.183 -1.804 772 HB THR 102 HB THR 102 11.121 -4.328 -1.777 773 HG1 THR 102 1HG THR 102 11.884 -3.189 0.681 774 HG21 THR 102 1HG2 THR 102 12.447 -2.549 -2.246 775 HG22 THR 102 2HG2 THR 102 12.104 -1.752 -0.711 776 HG23 THR 102 3HG2 THR 102 10.942 -1.656 -2.034 777 H LEU 103 H LEU 103 8.711 -5.465 -1.929 778 HA LEU 103 HA LEU 103 6.919 -6.594 -0.258 779 HB2 LEU 103 1HB LEU 103 7.586 -7.581 -2.381 780 HB3 LEU 103 2HB LEU 103 9.142 -8.041 -1.692 781 HG LEU 103 HG LEU 103 7.967 -9.576 -0.152 782 HD11 LEU 103 1HD1 LEU 103 5.494 -9.852 -1.478 783 HD12 LEU 103 2HD1 LEU 103 5.682 -8.144 -1.082 784 HD13 LEU 103 3HD1 LEU 103 5.790 -9.360 0.190 785 HD21 LEU 103 1HD2 LEU 103 7.329 -11.235 -1.872 786 HD22 LEU 103 2HD2 LEU 103 8.877 -10.457 -2.202 787 HD23 LEU 103 3HD2 LEU 103 7.436 -9.967 -3.094 788 H ASP 104 H ASP 104 10.443 -7.023 0.016 789 HA ASP 104 HA ASP 104 10.279 -8.523 2.434 790 HB2 ASP 104 1HB ASP 104 12.492 -7.245 0.873 791 HB3 ASP 104 2HB ASP 104 12.805 -7.801 2.515 792 H GLY 105 H GLY 105 10.641 -5.122 1.656 793 HA2 GLY 105 1HA GLY 105 11.439 -4.223 4.213 794 HA3 GLY 105 2HA GLY 105 10.673 -3.241 2.973 795 H PHE 106 H PHE 106 8.260 -4.771 2.786 796 HA PHE 106 HA PHE 106 6.751 -3.521 4.812 797 HB2 PHE 106 1HB PHE 106 5.993 -5.777 2.945 798 HB3 PHE 106 2HB PHE 106 4.857 -4.859 3.927 799 HD1 PHE 106 2HD PHE 106 5.884 -2.123 3.603 800 HD2 PHE 106 1HD PHE 106 5.436 -5.257 0.758 801 HE1 PHE 106 2HE PHE 106 5.678 -0.457 1.805 802 HE2 PHE 106 1HE PHE 106 5.231 -3.596 -1.045 803 HZ PHE 106 HZ PHE 106 5.351 -1.192 -0.523 804 H LYS 107 H LYS 107 7.793 -6.878 4.368 805 HA LYS 107 HA LYS 107 6.460 -8.072 6.476 806 HB2 LYS 107 1HB LYS 107 9.271 -8.696 5.552 807 HB3 LYS 107 2HB LYS 107 8.206 -9.777 6.441 808 HG2 LYS 107 1HG LYS 107 6.616 -9.359 4.386 809 HG3 LYS 107 2HG LYS 107 8.139 -8.971 3.583 810 HD2 LYS 107 1HD LYS 107 8.963 -11.205 4.605 811 HD3 LYS 107 2HD LYS 107 7.245 -11.559 4.800 812 HE2 LYS 107 1HE LYS 107 7.006 -10.990 2.336 813 HE3 LYS 107 2HE LYS 107 8.766 -11.036 2.258 814 HZ1 LYS 107 1HZ LYS 107 7.638 -13.149 1.638 815 HZ2 LYS 107 2HZ LYS 107 7.112 -13.294 3.238 816 HZ3 LYS 107 3HZ LYS 107 8.766 -13.310 2.888 817 H LYS 108 H LYS 108 9.541 -6.330 6.499 818 HA LYS 108 HA LYS 108 10.259 -6.830 9.157 819 HB2 LYS 108 1HB LYS 108 10.836 -4.275 7.660 820 HB3 LYS 108 2HB LYS 108 11.786 -5.002 8.949 821 HG2 LYS 108 1HG LYS 108 12.077 -6.982 7.341 822 HG3 LYS 108 2HG LYS 108 11.523 -5.861 6.094 823 HD2 LYS 108 1HD LYS 108 13.869 -5.709 6.055 824 HD3 LYS 108 2HD LYS 108 13.334 -4.280 6.943 825 HE2 LYS 108 1HE LYS 108 13.668 -5.717 9.046 826 HE3 LYS 108 2HE LYS 108 14.588 -6.795 7.998 827 HZ1 LYS 108 1HZ LYS 108 16.316 -5.417 8.012 828 HZ2 LYS 108 2HZ LYS 108 15.562 -4.608 9.292 829 HZ3 LYS 108 3HZ LYS 108 15.361 -4.055 7.705 830 H PHE 109 H PHE 109 8.594 -3.988 7.789 831 HA PHE 109 HA PHE 109 8.127 -2.628 10.157 832 HB2 PHE 109 1HB PHE 109 7.719 -1.710 7.886 833 HB3 PHE 109 2HB PHE 109 6.292 -2.732 7.755 834 HD1 PHE 109 2HD PHE 109 7.774 0.127 9.545 835 HD2 PHE 109 1HD PHE 109 4.245 -2.125 8.775 836 HE1 PHE 109 2HE PHE 109 6.423 1.886 10.609 837 HE2 PHE 109 1HE PHE 109 2.888 -0.369 9.837 838 HZ PHE 109 HZ PHE 109 3.977 1.640 10.757 839 H LEU 110 H LEU 110 6.099 -5.066 8.562 840 HA LEU 110 HA LEU 110 4.002 -4.999 10.451 841 HB2 LEU 110 1HB LEU 110 4.869 -7.244 8.636 842 HB3 LEU 110 2HB LEU 110 3.327 -7.148 9.483 843 HG LEU 110 HG LEU 110 4.155 -5.054 7.497 844 HD11 LEU 110 1HD1 LEU 110 4.261 -6.850 6.075 845 HD12 LEU 110 2HD1 LEU 110 2.543 -6.461 5.988 846 HD13 LEU 110 3HD1 LEU 110 3.095 -7.795 7.002 847 HD21 LEU 110 1HD2 LEU 110 1.437 -6.027 8.360 848 HD22 LEU 110 2HD2 LEU 110 1.805 -4.615 7.369 849 HD23 LEU 110 3HD2 LEU 110 2.268 -4.643 9.071 850 H GLU 111 H GLU 111 6.442 -7.561 9.971 851 HA GLU 111 HA GLU 111 6.044 -9.155 12.083 852 HB2 GLU 111 1HB GLU 111 8.637 -8.135 10.956 853 HB3 GLU 111 2HB GLU 111 8.617 -9.301 12.272 854 HG2 GLU 111 1HG GLU 111 7.031 -10.632 10.687 855 HG3 GLU 111 2HG GLU 111 7.765 -9.629 9.437 856 H SER 112 H SER 112 7.527 -5.962 12.239 857 HA SER 112 HA SER 112 8.253 -6.089 14.979 858 HB2 SER 112 1HB SER 112 7.747 -3.699 13.190 859 HB3 SER 112 2HB SER 112 8.474 -3.617 14.794 860 HG SER 112 HG SER 112 9.548 -4.495 12.396 861 H GLY 113 H GLY 113 5.440 -4.739 13.283 862 HA2 GLY 113 1HA GLY 113 3.267 -5.112 14.407 863 HA3 GLY 113 2HA GLY 113 4.062 -4.624 15.896 864 H GLY 114 H GLY 114 4.541 -3.055 12.787 865 HA2 GLY 114 1HA GLY 114 3.770 -1.016 11.992 866 HA3 GLY 114 2HA GLY 114 2.692 -0.919 13.377 867 H GLN 115 H GLN 115 6.213 -1.303 13.345 868 HA GLN 115 HA GLN 115 6.404 1.124 14.982 869 HB2 GLN 115 1HB GLN 115 8.423 -1.088 14.570 870 HB3 GLN 115 2HB GLN 115 8.605 0.279 15.662 871 HG2 GLN 115 1HG GLN 115 6.316 -1.637 15.915 872 HG3 GLN 115 2HG GLN 115 7.886 -1.963 16.647 873 HE21 GLN 115 1HE2 GLN 115 4.909 -0.698 17.191 874 HE22 GLN 115 2HE2 GLN 115 5.268 0.331 18.531 875 H SER 116 H SER 116 7.663 2.840 14.412 876 HA SER 116 HA SER 116 8.697 2.811 11.662 877 HB2 SER 116 1HB SER 116 7.693 5.024 13.442 878 HB3 SER 116 2HB SER 116 8.654 5.365 12.004 879 HG SER 116 HG SER 116 6.505 5.416 11.424 880 H GLY 117 H GLY 117 10.775 2.131 11.798 881 HA2 GLY 117 1HA GLY 117 13.045 2.856 11.949 882 HA3 GLY 117 2HA GLY 117 12.601 3.850 13.329 883 HA PRO 118 HA PRO 118 14.748 0.214 15.098 884 HB2 PRO 118 1HB PRO 118 15.847 1.604 17.154 885 HB3 PRO 118 2HB PRO 118 16.576 1.532 15.546 886 HG2 PRO 118 1HG PRO 118 14.889 3.683 16.767 887 HG3 PRO 118 2HG PRO 118 16.363 3.835 15.792 888 HD2 PRO 118 1HD PRO 118 13.887 4.207 14.759 889 HD3 PRO 118 2HD PRO 118 15.229 3.542 13.806 890 H SER 119 H SER 119 12.079 1.955 15.844 891 HA SER 119 HA SER 119 10.343 1.607 17.278 892 HB2 SER 119 1HB SER 119 11.941 -0.693 18.418 893 HB3 SER 119 2HB SER 119 10.199 -0.446 18.526 894 HG SER 119 HG SER 119 9.979 -0.959 16.421 895 H SER 120 H SER 120 11.867 3.630 17.959 896 HA SER 120 HA SER 120 11.962 3.475 20.882 897 HB2 SER 120 1HB SER 120 14.107 4.504 21.041 898 HB3 SER 120 2HB SER 120 14.285 3.178 19.892 899 HG SER 120 HG SER 120 15.250 5.006 19.036 900 H GLY 121 H GLY 121 11.696 5.494 21.950 901 HA2 GLY 121 1HA GLY 121 11.586 8.021 21.111 902 HA3 GLY 121 2HA GLY 121 10.128 7.375 20.374 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -11.676 -18.968 12.756 2 HA2 GLY 1 1HA GLY 1 -9.144 -19.474 11.785 3 HA3 GLY 1 2HA GLY 1 -10.047 -20.958 11.521 4 H SER 2 H SER 2 -12.510 -20.096 10.804 5 HA SER 2 HA SER 2 -13.705 -19.445 8.980 6 HB2 SER 2 1HB SER 2 -11.802 -17.133 9.304 7 HB3 SER 2 2HB SER 2 -13.006 -17.156 8.017 8 HG SER 2 HG SER 2 -13.469 -17.276 10.813 9 H SER 3 H SER 3 -11.749 -21.345 8.472 10 HA SER 3 HA SER 3 -9.916 -20.917 6.484 11 HB2 SER 3 1HB SER 3 -10.506 -23.103 7.702 12 HB3 SER 3 2HB SER 3 -11.720 -23.333 6.444 13 HG SER 3 HG SER 3 -8.968 -22.883 5.926 14 H GLY 4 H GLY 4 -9.970 -20.294 4.423 15 HA2 GLY 4 1HA GLY 4 -11.262 -20.853 2.268 16 HA3 GLY 4 2HA GLY 4 -12.604 -20.102 3.120 17 H SER 5 H SER 5 -9.207 -19.401 2.293 18 HA SER 5 HA SER 5 -9.905 -16.571 2.029 19 HB2 SER 5 1HB SER 5 -7.348 -18.074 2.418 20 HB3 SER 5 2HB SER 5 -7.291 -16.482 1.661 21 HG SER 5 HG SER 5 -8.661 -16.931 4.091 22 H SER 6 H SER 6 -10.409 -15.799 0.101 23 HA SER 6 HA SER 6 -9.345 -17.155 -2.287 24 HB2 SER 6 1HB SER 6 -11.886 -17.072 -1.865 25 HB3 SER 6 2HB SER 6 -11.766 -15.361 -2.274 26 HG SER 6 HG SER 6 -10.529 -16.388 -4.203 27 H GLY 7 H GLY 7 -7.416 -15.961 -2.361 28 HA2 GLY 7 1HA GLY 7 -6.727 -14.127 -3.936 29 HA3 GLY 7 2HA GLY 7 -7.767 -13.091 -2.971 30 HA PRO 8 HA PRO 8 -3.308 -13.652 -1.212 31 HB2 PRO 8 1HB PRO 8 -1.927 -11.762 -2.588 32 HB3 PRO 8 2HB PRO 8 -2.021 -13.450 -3.105 33 HG2 PRO 8 1HG PRO 8 -3.580 -11.083 -4.070 34 HG3 PRO 8 2HG PRO 8 -2.844 -12.396 -5.008 35 HD2 PRO 8 1HD PRO 8 -5.486 -12.329 -4.422 36 HD3 PRO 8 2HD PRO 8 -4.581 -13.848 -4.576 37 H VAL 9 H VAL 9 -4.575 -10.574 -2.506 38 HA VAL 9 HA VAL 9 -4.284 -9.428 0.196 39 HB VAL 9 HB VAL 9 -2.752 -8.198 -1.038 40 HG11 VAL 9 1HG1 VAL 9 -4.674 -7.964 -3.345 41 HG12 VAL 9 2HG1 VAL 9 -2.962 -7.533 -3.313 42 HG13 VAL 9 3HG1 VAL 9 -3.449 -9.226 -3.222 43 HG21 VAL 9 1HG2 VAL 9 -4.928 -6.921 -0.087 44 HG22 VAL 9 2HG2 VAL 9 -3.529 -6.094 -0.773 45 HG23 VAL 9 3HG2 VAL 9 -4.957 -6.383 -1.767 46 H LYS 10 H LYS 10 -5.989 -8.344 1.058 47 HA LYS 10 HA LYS 10 -8.570 -8.803 -0.076 48 HB2 LYS 10 1HB LYS 10 -7.695 -8.472 2.452 49 HB3 LYS 10 2HB LYS 10 -8.282 -6.845 2.131 50 HG2 LYS 10 1HG LYS 10 -10.424 -8.061 1.310 51 HG3 LYS 10 2HG LYS 10 -9.797 -9.413 2.255 52 HD2 LYS 10 1HD LYS 10 -9.572 -7.745 4.174 53 HD3 LYS 10 2HD LYS 10 -10.579 -6.669 3.203 54 HE2 LYS 10 1HE LYS 10 -12.444 -7.960 3.459 55 HE3 LYS 10 2HE LYS 10 -11.522 -9.455 3.603 56 HZ1 LYS 10 1HZ LYS 10 -10.882 -7.850 5.791 57 HZ2 LYS 10 2HZ LYS 10 -11.733 -9.312 5.787 58 HZ3 LYS 10 3HZ LYS 10 -12.568 -7.847 5.652 59 H VAL 11 H VAL 11 -10.085 -7.280 -0.797 60 HA VAL 11 HA VAL 11 -8.891 -4.772 -1.776 61 HB VAL 11 HB VAL 11 -11.272 -6.289 -2.853 62 HG11 VAL 11 1HG1 VAL 11 -11.438 -4.668 -4.561 63 HG12 VAL 11 2HG1 VAL 11 -11.317 -3.763 -3.051 64 HG13 VAL 11 3HG1 VAL 11 -9.909 -3.918 -4.103 65 HG21 VAL 11 1HG2 VAL 11 -9.935 -7.209 -4.437 66 HG22 VAL 11 2HG2 VAL 11 -8.836 -5.830 -4.471 67 HG23 VAL 11 3HG2 VAL 11 -8.720 -7.019 -3.173 68 H LEU 12 H LEU 12 -9.352 -3.239 -0.302 69 HA LEU 12 HA LEU 12 -11.919 -3.168 1.035 70 HB2 LEU 12 1HB LEU 12 -9.613 -1.231 1.152 71 HB3 LEU 12 2HB LEU 12 -11.016 -1.237 2.218 72 HG LEU 12 HG LEU 12 -8.989 -3.466 2.059 73 HD11 LEU 12 1HD1 LEU 12 -8.294 -2.572 4.306 74 HD12 LEU 12 2HD1 LEU 12 -9.207 -1.113 3.921 75 HD13 LEU 12 3HD1 LEU 12 -7.835 -1.585 2.918 76 HD21 LEU 12 1HD2 LEU 12 -11.582 -3.233 3.254 77 HD22 LEU 12 2HD2 LEU 12 -10.359 -3.408 4.512 78 HD23 LEU 12 3HD2 LEU 12 -10.485 -4.613 3.229 79 H VAL 13 H VAL 13 -13.493 -1.600 0.799 80 HA VAL 13 HA VAL 13 -13.179 0.234 -1.486 81 HB VAL 13 HB VAL 13 -15.635 -0.088 -1.921 82 HG11 VAL 13 1HG1 VAL 13 -13.867 -2.510 -2.252 83 HG12 VAL 13 2HG1 VAL 13 -15.336 -2.172 -3.168 84 HG13 VAL 13 3HG1 VAL 13 -13.932 -1.118 -3.331 85 HG21 VAL 13 1HG2 VAL 13 -15.729 -1.319 0.461 86 HG22 VAL 13 2HG2 VAL 13 -16.903 -1.609 -0.823 87 HG23 VAL 13 3HG2 VAL 13 -15.558 -2.725 -0.591 88 H GLY 14 H GLY 14 -14.486 2.160 -1.403 89 HA2 GLY 14 1HA GLY 14 -14.427 3.484 1.044 90 HA3 GLY 14 2HA GLY 14 -15.366 3.998 -0.349 91 H LYS 15 H LYS 15 -16.616 1.121 0.031 92 HA LYS 15 HA LYS 15 -18.906 2.096 1.476 93 HB2 LYS 15 1HB LYS 15 -19.329 0.709 -0.428 94 HB3 LYS 15 2HB LYS 15 -18.268 -0.555 0.181 95 HG2 LYS 15 1HG LYS 15 -20.284 -1.451 0.723 96 HG3 LYS 15 2HG LYS 15 -19.968 -0.532 2.196 97 HD2 LYS 15 1HD LYS 15 -21.579 1.011 1.742 98 HD3 LYS 15 2HD LYS 15 -21.364 0.880 -0.006 99 HE2 LYS 15 1HE LYS 15 -22.801 -0.887 -0.188 100 HE3 LYS 15 2HE LYS 15 -22.462 -1.471 1.441 101 HZ1 LYS 15 1HZ LYS 15 -24.590 -0.641 1.620 102 HZ2 LYS 15 2HZ LYS 15 -24.299 0.667 0.588 103 HZ3 LYS 15 3HZ LYS 15 -23.668 0.672 2.157 104 H ASN 16 H ASN 16 -16.861 -0.802 1.896 105 HA ASN 16 HA ASN 16 -17.390 -0.624 4.790 106 HB2 ASN 16 1HB ASN 16 -17.043 -3.072 4.866 107 HB3 ASN 16 2HB ASN 16 -18.390 -2.626 3.824 108 HD21 ASN 16 1HD2 ASN 16 -15.093 -3.761 3.918 109 HD22 ASN 16 2HD2 ASN 16 -15.056 -4.385 2.307 110 H PHE 17 H PHE 17 -15.231 0.620 3.162 111 HA PHE 17 HA PHE 17 -12.789 -0.670 3.406 112 HB2 PHE 17 1HB PHE 17 -12.574 1.255 2.181 113 HB3 PHE 17 2HB PHE 17 -13.652 2.170 3.230 114 HD1 PHE 17 2HD PHE 17 -10.293 0.553 3.293 115 HD2 PHE 17 1HD PHE 17 -12.746 3.777 4.598 116 HE1 PHE 17 2HE PHE 17 -8.345 1.589 4.381 117 HE2 PHE 17 1HE PHE 17 -10.801 4.820 5.688 118 HZ PHE 17 HZ PHE 17 -8.598 3.725 5.581 119 H GLU 18 H GLU 18 -14.065 1.799 5.647 120 HA GLU 18 HA GLU 18 -12.124 1.342 7.638 121 HB2 GLU 18 1HB GLU 18 -14.897 2.442 8.096 122 HB3 GLU 18 2HB GLU 18 -13.454 2.744 9.052 123 HG2 GLU 18 1HG GLU 18 -13.497 4.665 7.860 124 HG3 GLU 18 2HG GLU 18 -12.562 3.674 6.742 125 H ASP 19 H ASP 19 -15.115 -0.237 6.879 126 HA ASP 19 HA ASP 19 -15.647 -1.446 9.363 127 HB2 ASP 19 1HB ASP 19 -16.399 -2.067 6.527 128 HB3 ASP 19 2HB ASP 19 -16.783 -3.217 7.805 129 H VAL 20 H VAL 20 -13.465 -2.271 6.762 130 HA VAL 20 HA VAL 20 -12.767 -4.797 8.075 131 HB VAL 20 HB VAL 20 -12.168 -3.693 5.342 132 HG11 VAL 20 1HG1 VAL 20 -10.808 -5.690 4.920 133 HG12 VAL 20 2HG1 VAL 20 -10.100 -4.669 6.174 134 HG13 VAL 20 3HG1 VAL 20 -10.959 -6.145 6.617 135 HG21 VAL 20 1HG2 VAL 20 -13.600 -6.134 6.370 136 HG22 VAL 20 2HG2 VAL 20 -14.288 -4.771 5.489 137 HG23 VAL 20 3HG2 VAL 20 -13.192 -5.885 4.673 138 H ALA 21 H ALA 21 -11.076 -2.022 6.599 139 HA ALA 21 HA ALA 21 -8.523 -2.476 7.426 140 HB1 ALA 21 1HB ALA 21 -8.268 -0.507 6.442 141 HB2 ALA 21 2HB ALA 21 -10.007 -0.224 6.520 142 HB3 ALA 21 3HB ALA 21 -8.971 0.284 7.853 143 H PHE 22 H PHE 22 -10.814 -0.456 9.278 144 HA PHE 22 HA PHE 22 -9.163 -0.605 11.631 145 HB2 PHE 22 1HB PHE 22 -11.897 0.590 11.146 146 HB3 PHE 22 2HB PHE 22 -11.040 0.693 12.681 147 HD1 PHE 22 2HD PHE 22 -8.281 1.175 11.744 148 HD2 PHE 22 1HD PHE 22 -11.987 2.788 10.407 149 HE1 PHE 22 2HE PHE 22 -7.115 3.193 10.955 150 HE2 PHE 22 1HE PHE 22 -10.826 4.808 9.616 151 HZ PHE 22 HZ PHE 22 -8.387 5.013 9.891 152 H ASP 23 H ASP 23 -9.100 -2.813 12.130 153 HA ASP 23 HA ASP 23 -11.598 -3.851 13.296 154 HB2 ASP 23 1HB ASP 23 -9.655 -5.184 11.460 155 HB3 ASP 23 2HB ASP 23 -10.448 -6.158 12.695 156 H GLU 24 H GLU 24 -11.281 -3.657 15.427 157 HA GLU 24 HA GLU 24 -8.923 -3.530 16.821 158 HB2 GLU 24 1HB GLU 24 -10.178 -4.098 18.811 159 HB3 GLU 24 2HB GLU 24 -11.158 -3.068 17.777 160 HG2 GLU 24 1HG GLU 24 -12.049 -5.381 16.891 161 HG3 GLU 24 2HG GLU 24 -11.496 -5.934 18.471 162 H LYS 25 H LYS 25 -7.514 -4.951 17.753 163 HA LYS 25 HA LYS 25 -6.377 -6.886 18.130 164 HB2 LYS 25 1HB LYS 25 -8.972 -8.326 17.572 165 HB3 LYS 25 2HB LYS 25 -7.593 -8.930 18.481 166 HG2 LYS 25 1HG LYS 25 -8.929 -6.451 19.430 167 HG3 LYS 25 2HG LYS 25 -9.740 -7.999 19.683 168 HD2 LYS 25 1HD LYS 25 -7.711 -8.850 20.795 169 HD3 LYS 25 2HD LYS 25 -6.953 -7.270 20.586 170 HE2 LYS 25 1HE LYS 25 -9.594 -7.513 21.972 171 HE3 LYS 25 2HE LYS 25 -8.099 -7.856 22.842 172 HZ1 LYS 25 1HZ LYS 25 -7.493 -5.698 22.838 173 HZ2 LYS 25 2HZ LYS 25 -9.159 -5.440 22.702 174 HZ3 LYS 25 3HZ LYS 25 -8.178 -5.373 21.325 175 H LYS 26 H LYS 26 -6.624 -5.729 15.463 176 HA LYS 26 HA LYS 26 -5.513 -7.940 13.983 177 HB2 LYS 26 1HB LYS 26 -7.755 -8.379 13.376 178 HB3 LYS 26 2HB LYS 26 -8.127 -6.670 13.196 179 HG2 LYS 26 1HG LYS 26 -7.991 -7.380 11.010 180 HG3 LYS 26 2HG LYS 26 -6.371 -6.738 11.295 181 HD2 LYS 26 1HD LYS 26 -5.982 -8.781 10.236 182 HD3 LYS 26 2HD LYS 26 -5.754 -9.147 11.948 183 HE2 LYS 26 1HE LYS 26 -8.076 -9.983 12.041 184 HE3 LYS 26 2HE LYS 26 -8.232 -9.683 10.311 185 HZ1 LYS 26 1HZ LYS 26 -6.983 -11.871 11.676 186 HZ2 LYS 26 2HZ LYS 26 -5.973 -11.182 10.507 187 HZ3 LYS 26 3HZ LYS 26 -7.502 -11.757 10.069 188 H ASN 27 H ASN 27 -3.774 -7.155 13.010 189 HA ASN 27 HA ASN 27 -3.551 -4.292 12.539 190 HB2 ASN 27 1HB ASN 27 -1.458 -6.427 12.093 191 HB3 ASN 27 2HB ASN 27 -1.198 -4.689 12.212 192 HD21 ASN 27 1HD2 ASN 27 -1.903 -7.612 13.952 193 HD22 ASN 27 2HD2 ASN 27 -1.578 -6.989 15.531 194 H VAL 28 H VAL 28 -4.720 -3.804 10.734 195 HA VAL 28 HA VAL 28 -4.262 -5.350 8.292 196 HB VAL 28 HB VAL 28 -6.218 -3.098 8.773 197 HG11 VAL 28 1HG1 VAL 28 -5.372 -4.508 6.401 198 HG12 VAL 28 2HG1 VAL 28 -7.098 -4.728 6.693 199 HG13 VAL 28 3HG1 VAL 28 -6.425 -3.103 6.558 200 HG21 VAL 28 1HG2 VAL 28 -6.386 -6.037 9.187 201 HG22 VAL 28 2HG2 VAL 28 -7.109 -4.722 10.114 202 HG23 VAL 28 3HG2 VAL 28 -7.808 -5.199 8.567 203 H PHE 29 H PHE 29 -2.997 -4.653 6.696 204 HA PHE 29 HA PHE 29 -1.968 -1.902 6.850 205 HB2 PHE 29 1HB PHE 29 -0.271 -3.680 7.040 206 HB3 PHE 29 2HB PHE 29 -0.769 -4.316 5.476 207 HD1 PHE 29 1HD PHE 29 -0.726 -0.722 5.953 208 HD2 PHE 29 2HD PHE 29 1.542 -4.092 4.681 209 HE1 PHE 29 1HE PHE 29 0.873 0.779 4.837 210 HE2 PHE 29 2HE PHE 29 3.145 -2.596 3.564 211 HZ PHE 29 HZ PHE 29 2.812 -0.157 3.642 212 H VAL 30 H VAL 30 -3.342 -0.710 5.631 213 HA VAL 30 HA VAL 30 -4.316 -1.677 3.085 214 HB VAL 30 HB VAL 30 -4.632 1.088 4.254 215 HG11 VAL 30 1HG1 VAL 30 -5.959 -0.415 2.024 216 HG12 VAL 30 2HG1 VAL 30 -6.763 0.933 2.830 217 HG13 VAL 30 3HG1 VAL 30 -5.228 1.189 1.999 218 HG21 VAL 30 1HG2 VAL 30 -6.963 0.091 4.839 219 HG22 VAL 30 2HG2 VAL 30 -6.118 -1.456 4.770 220 HG23 VAL 30 3HG2 VAL 30 -5.593 -0.214 5.907 221 H GLU 31 H GLU 31 -4.026 -0.499 1.084 222 HA GLU 31 HA GLU 31 -1.602 1.148 0.957 223 HB2 GLU 31 1HB GLU 31 -0.657 -0.871 0.300 224 HB3 GLU 31 2HB GLU 31 -2.127 -1.418 -0.492 225 HG2 GLU 31 1HG GLU 31 -1.743 0.336 -2.230 226 HG3 GLU 31 2HG GLU 31 -0.176 0.642 -1.483 227 H PHE 32 H PHE 32 -2.436 3.034 0.305 228 HA PHE 32 HA PHE 32 -4.642 3.164 -1.546 229 HB2 PHE 32 1HB PHE 32 -2.937 5.338 -0.314 230 HB3 PHE 32 2HB PHE 32 -4.358 5.627 -1.313 231 HD1 PHE 32 1HD PHE 32 -6.595 4.986 -0.493 232 HD2 PHE 32 2HD PHE 32 -3.131 4.709 1.965 233 HE1 PHE 32 1HE PHE 32 -8.027 4.846 1.503 234 HE2 PHE 32 2HE PHE 32 -4.557 4.568 3.965 235 HZ PHE 32 HZ PHE 32 -7.008 4.636 3.735 236 H TYR 33 H TYR 33 -4.134 2.551 -3.574 237 HA TYR 33 HA TYR 33 -1.777 3.788 -4.834 238 HB2 TYR 33 1HB TYR 33 -1.719 1.937 -6.369 239 HB3 TYR 33 2HB TYR 33 -1.819 1.288 -4.737 240 HD1 TYR 33 2HD TYR 33 -3.832 2.022 -7.767 241 HD2 TYR 33 1HD TYR 33 -3.572 -0.156 -4.121 242 HE1 TYR 33 2HE TYR 33 -5.805 0.707 -8.419 243 HE2 TYR 33 1HE TYR 33 -5.545 -1.478 -4.763 244 HH TYR 33 HH TYR 33 -6.624 -1.934 -7.551 245 H ALA 34 H ALA 34 -2.083 4.018 -7.294 246 HA ALA 34 HA ALA 34 -4.791 5.016 -7.880 247 HB1 ALA 34 1HB ALA 34 -3.857 6.932 -9.026 248 HB2 ALA 34 2HB ALA 34 -3.286 6.893 -7.358 249 HB3 ALA 34 3HB ALA 34 -2.220 6.382 -8.667 250 HA PRO 35 HA PRO 35 -4.452 2.460 -11.464 251 HB2 PRO 35 1HB PRO 35 -6.506 3.526 -12.883 252 HB3 PRO 35 2HB PRO 35 -6.750 2.468 -11.488 253 HG2 PRO 35 1HG PRO 35 -6.869 5.455 -11.643 254 HG3 PRO 35 2HG PRO 35 -7.951 4.334 -10.795 255 HD2 PRO 35 1HD PRO 35 -6.003 5.721 -9.524 256 HD3 PRO 35 2HD PRO 35 -6.514 4.101 -9.008 257 H TRP 36 H TRP 36 -3.700 5.716 -11.331 258 HA TRP 36 HA TRP 36 -2.854 5.727 -14.155 259 HB2 TRP 36 1HB TRP 36 -2.830 8.348 -13.583 260 HB3 TRP 36 2HB TRP 36 -4.258 7.523 -14.202 261 HD1 TRP 36 HD TRP 36 -6.311 7.209 -12.548 262 HE1 TRP 36 1HE TRP 36 -6.892 8.265 -10.274 263 HE3 TRP 36 3HE TRP 36 -1.749 9.208 -11.393 264 HZ2 TRP 36 2HZ TRP 36 -5.589 9.750 -8.258 265 HZ3 TRP 36 3HZ TRP 36 -1.501 10.432 -9.273 266 HH2 TRP 36 HH TRP 36 -3.383 10.696 -7.739 267 H CYS 37 H CYS 37 -1.972 6.276 -10.833 268 HA CYS 37 HA CYS 37 0.457 7.607 -11.160 269 HB2 CYS 37 1HB CYS 37 -0.518 7.376 -8.969 270 HB3 CYS 37 2HB CYS 37 -0.420 5.622 -9.057 271 HG CYS 37 HG CYS 37 1.784 5.535 -7.761 272 H GLY 38 H GLY 38 2.207 7.024 -12.249 273 HA2 GLY 38 1HA GLY 38 2.631 4.527 -13.411 274 HA3 GLY 38 2HA GLY 38 3.877 5.740 -13.161 275 H HIS 39 H HIS 39 3.839 5.808 -10.342 276 HA HIS 39 HA HIS 39 5.604 3.710 -9.741 277 HB2 HIS 39 1HB HIS 39 4.183 5.789 -8.127 278 HB3 HIS 39 2HB HIS 39 5.005 4.476 -7.289 279 HD1 HIS 39 1HD HIS 39 6.968 5.717 -6.345 280 HD2 HIS 39 2HD HIS 39 6.480 6.366 -10.420 281 HE1 HIS 39 1HE HIS 39 9.014 6.986 -7.074 282 HE2 HIS 39 2HE HIS 39 8.655 7.442 -9.525 283 H CYS 40 H CYS 40 2.144 4.064 -9.266 284 HA CYS 40 HA CYS 40 1.728 1.919 -7.512 285 HB2 CYS 40 1HB CYS 40 -0.142 3.256 -7.702 286 HB3 CYS 40 2HB CYS 40 0.025 3.425 -9.445 287 HG CYS 40 HG CYS 40 -2.331 2.083 -9.100 288 H LYS 41 H LYS 41 1.546 2.033 -11.064 289 HA LYS 41 HA LYS 41 0.806 -0.537 -11.630 290 HB2 LYS 41 1HB LYS 41 2.760 1.276 -13.035 291 HB3 LYS 41 2HB LYS 41 2.306 -0.292 -13.690 292 HG2 LYS 41 1HG LYS 41 0.056 0.366 -13.967 293 HG3 LYS 41 2HG LYS 41 0.288 1.822 -12.996 294 HD2 LYS 41 1HD LYS 41 1.789 2.724 -14.700 295 HD3 LYS 41 2HD LYS 41 1.581 1.262 -15.666 296 HE2 LYS 41 1HE LYS 41 -0.667 1.758 -16.128 297 HE3 LYS 41 2HE LYS 41 -0.757 2.954 -14.836 298 HZ1 LYS 41 1HZ LYS 41 -0.546 4.305 -16.639 299 HZ2 LYS 41 2HZ LYS 41 0.381 3.202 -17.523 300 HZ3 LYS 41 3HZ LYS 41 1.093 4.095 -16.275 301 H GLN 42 H GLN 42 3.775 0.535 -10.238 302 HA GLN 42 HA GLN 42 5.119 -1.998 -10.752 303 HB2 GLN 42 1HB GLN 42 5.977 0.598 -9.499 304 HB3 GLN 42 2HB GLN 42 6.962 -0.852 -9.368 305 HG2 GLN 42 1HG GLN 42 6.048 -0.033 -12.068 306 HG3 GLN 42 2HG GLN 42 7.314 0.918 -11.293 307 HE21 GLN 42 1HE2 GLN 42 6.711 -1.661 -13.256 308 HE22 GLN 42 2HE2 GLN 42 8.211 -2.500 -13.093 309 H LEU 43 H LEU 43 3.397 -0.354 -8.237 310 HA LEU 43 HA LEU 43 4.339 -2.093 -6.131 311 HB2 LEU 43 1HB LEU 43 3.563 0.360 -5.939 312 HB3 LEU 43 2HB LEU 43 1.935 -0.314 -5.955 313 HG LEU 43 HG LEU 43 2.571 -1.670 -3.945 314 HD11 LEU 43 1HD1 LEU 43 4.647 -0.135 -2.904 315 HD12 LEU 43 2HD1 LEU 43 5.143 -0.519 -4.552 316 HD13 LEU 43 3HD1 LEU 43 4.725 -1.816 -3.432 317 HD21 LEU 43 1HD2 LEU 43 2.428 0.238 -2.385 318 HD22 LEU 43 2HD2 LEU 43 1.260 0.344 -3.703 319 HD23 LEU 43 3HD2 LEU 43 2.720 1.335 -3.735 320 H ALA 44 H ALA 44 1.921 -2.179 -8.525 321 HA ALA 44 HA ALA 44 -0.172 -3.549 -7.360 322 HB1 ALA 44 1HB ALA 44 -0.884 -3.408 -9.455 323 HB2 ALA 44 2HB ALA 44 0.747 -3.028 -10.011 324 HB3 ALA 44 3HB ALA 44 0.222 -4.708 -9.902 325 HA PRO 45 HA PRO 45 2.133 -7.712 -8.268 326 HB2 PRO 45 1HB PRO 45 4.789 -7.546 -8.807 327 HB3 PRO 45 2HB PRO 45 3.548 -7.487 -10.064 328 HG2 PRO 45 1HG PRO 45 5.044 -5.239 -8.772 329 HG3 PRO 45 2HG PRO 45 4.646 -5.480 -10.483 330 HD2 PRO 45 1HD PRO 45 3.238 -3.813 -8.881 331 HD3 PRO 45 2HD PRO 45 2.491 -4.707 -10.220 332 H ILE 46 H ILE 46 4.418 -5.321 -6.925 333 HA ILE 46 HA ILE 46 5.560 -6.963 -4.982 334 HB ILE 46 HB ILE 46 5.119 -3.980 -4.813 335 HG12 ILE 46 1HG1 ILE 46 7.715 -5.201 -5.622 336 HG13 ILE 46 2HG1 ILE 46 6.421 -5.162 -6.815 337 HG21 ILE 46 1HG2 ILE 46 7.525 -4.874 -3.576 338 HG22 ILE 46 2HG2 ILE 46 6.149 -4.045 -2.851 339 HG23 ILE 46 3HG2 ILE 46 6.173 -5.806 -2.934 340 HD11 ILE 46 1HD1 ILE 46 6.409 -2.608 -5.818 341 HD12 ILE 46 2HD1 ILE 46 8.123 -3.025 -5.836 342 HD13 ILE 46 3HD1 ILE 46 7.172 -3.135 -7.317 343 H TRP 47 H TRP 47 2.668 -4.938 -4.855 344 HA TRP 47 HA TRP 47 2.171 -5.356 -2.083 345 HB2 TRP 47 1HB TRP 47 1.276 -3.461 -3.534 346 HB3 TRP 47 2HB TRP 47 0.107 -4.621 -4.158 347 HD1 TRP 47 HD TRP 47 -2.125 -4.618 -2.919 348 HE1 TRP 47 1HE TRP 47 -2.943 -3.913 -0.582 349 HE3 TRP 47 3HE TRP 47 2.359 -3.280 -0.858 350 HZ2 TRP 47 2HZ TRP 47 -1.834 -2.921 1.817 351 HZ3 TRP 47 3HZ TRP 47 2.393 -2.463 1.462 352 HH2 TRP 47 HH TRP 47 0.339 -2.287 2.770 353 H ASP 48 H ASP 48 1.236 -7.010 -5.028 354 HA ASP 48 HA ASP 48 -0.734 -8.677 -3.796 355 HB2 ASP 48 1HB ASP 48 -1.116 -8.532 -6.063 356 HB3 ASP 48 2HB ASP 48 0.600 -8.551 -6.461 357 H LYS 49 H LYS 49 2.708 -8.850 -4.289 358 HA LYS 49 HA LYS 49 2.929 -11.654 -3.714 359 HB2 LYS 49 1HB LYS 49 4.929 -9.414 -3.953 360 HB3 LYS 49 2HB LYS 49 5.405 -11.035 -3.467 361 HG2 LYS 49 1HG LYS 49 5.052 -11.914 -5.540 362 HG3 LYS 49 2HG LYS 49 3.804 -10.735 -5.950 363 HD2 LYS 49 1HD LYS 49 5.595 -10.102 -7.294 364 HD3 LYS 49 2HD LYS 49 5.731 -9.017 -5.908 365 HE2 LYS 49 1HE LYS 49 7.260 -10.964 -4.986 366 HE3 LYS 49 2HE LYS 49 7.440 -11.322 -6.702 367 HZ1 LYS 49 1HZ LYS 49 7.868 -8.595 -5.650 368 HZ2 LYS 49 2HZ LYS 49 8.413 -9.262 -7.106 369 HZ3 LYS 49 3HZ LYS 49 9.110 -9.744 -5.642 370 H LEU 50 H LEU 50 2.809 -8.736 -1.867 371 HA LEU 50 HA LEU 50 3.910 -9.971 0.519 372 HB2 LEU 50 1HB LEU 50 4.532 -7.772 0.491 373 HB3 LEU 50 2HB LEU 50 3.032 -7.246 -0.271 374 HG LEU 50 HG LEU 50 1.900 -7.651 1.949 375 HD11 LEU 50 1HD1 LEU 50 4.631 -8.462 2.605 376 HD12 LEU 50 2HD1 LEU 50 3.106 -8.848 3.402 377 HD13 LEU 50 3HD1 LEU 50 3.921 -7.323 3.750 378 HD21 LEU 50 1HD2 LEU 50 2.494 -5.523 2.797 379 HD22 LEU 50 2HD2 LEU 50 2.664 -5.424 1.044 380 HD23 LEU 50 3HD2 LEU 50 4.095 -5.596 2.061 381 H GLY 51 H GLY 51 0.790 -9.030 -0.795 382 HA2 GLY 51 1HA GLY 51 -0.741 -9.332 1.551 383 HA3 GLY 51 2HA GLY 51 -1.355 -9.446 -0.092 384 H GLU 52 H GLU 52 0.195 -11.657 -0.945 385 HA GLU 52 HA GLU 52 -1.421 -13.778 -0.003 386 HB2 GLU 52 1HB GLU 52 -0.350 -15.116 -1.576 387 HB3 GLU 52 2HB GLU 52 -0.205 -13.509 -2.273 388 HG2 GLU 52 1HG GLU 52 2.075 -13.338 -1.441 389 HG3 GLU 52 2HG GLU 52 1.935 -14.936 -0.711 390 H THR 53 H THR 53 1.618 -12.495 1.019 391 HA THR 53 HA THR 53 2.571 -14.807 2.384 392 HB THR 53 HB THR 53 3.277 -11.898 2.818 393 HG1 THR 53 1HG THR 53 4.924 -13.750 1.490 394 HG21 THR 53 1HG2 THR 53 5.194 -12.641 4.007 395 HG22 THR 53 2HG2 THR 53 4.898 -14.324 3.570 396 HG23 THR 53 3HG2 THR 53 3.820 -13.503 4.699 397 H TYR 54 H TYR 54 0.517 -12.104 3.256 398 HA TYR 54 HA TYR 54 0.147 -13.315 5.917 399 HB2 TYR 54 1HB TYR 54 -0.151 -10.393 5.194 400 HB3 TYR 54 2HB TYR 54 -0.335 -11.096 6.798 401 HD1 TYR 54 2HD TYR 54 2.124 -10.455 4.096 402 HD2 TYR 54 1HD TYR 54 1.533 -11.413 8.200 403 HE1 TYR 54 2HE TYR 54 4.521 -10.101 4.518 404 HE2 TYR 54 1HE TYR 54 3.929 -11.061 8.632 405 HH TYR 54 HH TYR 54 5.909 -10.584 7.752 406 H LYS 55 H LYS 55 -1.278 -13.957 3.474 407 HA LYS 55 HA LYS 55 -3.851 -12.690 3.577 408 HB2 LYS 55 1HB LYS 55 -4.459 -14.099 1.793 409 HB3 LYS 55 2HB LYS 55 -2.750 -13.771 1.537 410 HG2 LYS 55 1HG LYS 55 -2.305 -15.964 2.739 411 HG3 LYS 55 2HG LYS 55 -4.031 -16.285 2.557 412 HD2 LYS 55 1HD LYS 55 -3.884 -16.539 0.289 413 HD3 LYS 55 2HD LYS 55 -2.507 -15.443 0.147 414 HE2 LYS 55 1HE LYS 55 -0.994 -17.092 0.892 415 HE3 LYS 55 2HE LYS 55 -2.292 -18.131 1.476 416 HZ1 LYS 55 1HZ LYS 55 -1.799 -19.148 -0.484 417 HZ2 LYS 55 2HZ LYS 55 -1.328 -17.720 -1.258 418 HZ3 LYS 55 3HZ LYS 55 -2.971 -18.062 -1.039 419 H ASP 56 H ASP 56 -2.389 -15.550 4.948 420 HA ASP 56 HA ASP 56 -4.963 -16.217 6.219 421 HB2 ASP 56 1HB ASP 56 -3.684 -17.898 4.639 422 HB3 ASP 56 2HB ASP 56 -2.717 -18.187 6.083 423 H HIS 57 H HIS 57 -2.856 -14.281 7.060 424 HA HIS 57 HA HIS 57 -1.432 -15.359 9.260 425 HB2 HIS 57 1HB HIS 57 -1.292 -13.024 7.910 426 HB3 HIS 57 2HB HIS 57 -2.174 -12.492 9.339 427 HD1 HIS 57 1HD HIS 57 -0.900 -12.440 11.566 428 HD2 HIS 57 2HD HIS 57 1.369 -13.821 8.372 429 HE1 HIS 57 1HE HIS 57 1.474 -12.477 12.394 430 HE2 HIS 57 2HE HIS 57 2.839 -13.235 10.418 431 H GLU 58 H GLU 58 -1.842 -13.964 11.466 432 HA GLU 58 HA GLU 58 -4.538 -14.777 12.287 433 HB2 GLU 58 1HB GLU 58 -3.718 -14.980 14.492 434 HB3 GLU 58 2HB GLU 58 -2.466 -15.663 13.464 435 HG2 GLU 58 1HG GLU 58 -1.277 -13.474 13.588 436 HG3 GLU 58 2HG GLU 58 -2.471 -12.959 14.778 437 H ASN 59 H ASN 59 -2.235 -12.097 12.698 438 HA ASN 59 HA ASN 59 -4.527 -10.337 13.271 439 HB2 ASN 59 1HB ASN 59 -3.073 -8.958 14.614 440 HB3 ASN 59 2HB ASN 59 -2.919 -10.624 15.163 441 HD21 ASN 59 1HD2 ASN 59 -0.993 -11.659 14.982 442 HD22 ASN 59 2HD2 ASN 59 0.458 -10.896 14.436 443 H ILE 60 H ILE 60 -1.671 -10.859 11.367 444 HA ILE 60 HA ILE 60 -1.678 -8.221 10.198 445 HB ILE 60 HB ILE 60 -0.181 -10.678 9.284 446 HG12 ILE 60 1HG1 ILE 60 0.656 -8.458 11.162 447 HG13 ILE 60 2HG1 ILE 60 0.396 -10.145 11.593 448 HG21 ILE 60 1HG2 ILE 60 -0.504 -8.132 8.116 449 HG22 ILE 60 2HG2 ILE 60 1.139 -8.205 8.750 450 HG23 ILE 60 3HG2 ILE 60 0.577 -9.431 7.613 451 HD11 ILE 60 1HD1 ILE 60 2.293 -9.979 9.461 452 HD12 ILE 60 2HD1 ILE 60 2.779 -8.922 10.787 453 HD13 ILE 60 3HD1 ILE 60 2.487 -10.635 11.086 454 H VAL 61 H VAL 61 -3.164 -7.641 8.765 455 HA VAL 61 HA VAL 61 -3.988 -9.600 6.726 456 HB VAL 61 HB VAL 61 -5.697 -7.821 8.413 457 HG11 VAL 61 1HG1 VAL 61 -6.356 -6.979 6.336 458 HG12 VAL 61 2HG1 VAL 61 -6.197 -8.549 5.546 459 HG13 VAL 61 3HG1 VAL 61 -7.526 -8.256 6.669 460 HG21 VAL 61 1HG2 VAL 61 -5.388 -10.296 8.798 461 HG22 VAL 61 2HG2 VAL 61 -7.057 -9.751 8.631 462 HG23 VAL 61 3HG2 VAL 61 -6.253 -10.555 7.283 463 H ILE 62 H ILE 62 -3.112 -8.915 4.882 464 HA ILE 62 HA ILE 62 -2.609 -6.125 4.373 465 HB ILE 62 HB ILE 62 -2.281 -8.522 2.565 466 HG12 ILE 62 1HG1 ILE 62 -0.870 -8.485 4.640 467 HG13 ILE 62 2HG1 ILE 62 0.052 -8.447 3.141 468 HG21 ILE 62 1HG2 ILE 62 -1.873 -7.106 0.908 469 HG22 ILE 62 2HG2 ILE 62 -2.239 -5.749 1.972 470 HG23 ILE 62 3HG2 ILE 62 -0.588 -6.358 1.856 471 HD11 ILE 62 1HD1 ILE 62 -0.577 -5.799 4.169 472 HD12 ILE 62 2HD1 ILE 62 0.393 -6.774 5.272 473 HD13 ILE 62 3HD1 ILE 62 0.959 -6.476 3.629 474 H ALA 63 H ALA 63 -3.661 -4.780 2.980 475 HA ALA 63 HA ALA 63 -5.805 -5.790 1.301 476 HB1 ALA 63 1HB ALA 63 -7.576 -4.950 2.403 477 HB2 ALA 63 2HB ALA 63 -6.515 -5.065 3.807 478 HB3 ALA 63 3HB ALA 63 -6.690 -3.529 2.958 479 H LYS 64 H LYS 64 -6.546 -4.257 -0.256 480 HA LYS 64 HA LYS 64 -4.845 -1.869 -0.523 481 HB2 LYS 64 1HB LYS 64 -4.639 -2.241 -2.894 482 HB3 LYS 64 2HB LYS 64 -4.112 -3.692 -2.051 483 HG2 LYS 64 1HG LYS 64 -6.185 -4.800 -2.555 484 HG3 LYS 64 2HG LYS 64 -6.841 -3.325 -3.268 485 HD2 LYS 64 1HD LYS 64 -5.033 -3.401 -4.965 486 HD3 LYS 64 2HD LYS 64 -4.506 -4.943 -4.286 487 HE2 LYS 64 1HE LYS 64 -6.853 -5.782 -4.718 488 HE3 LYS 64 2HE LYS 64 -7.114 -4.308 -5.650 489 HZ1 LYS 64 1HZ LYS 64 -6.344 -6.428 -6.856 490 HZ2 LYS 64 2HZ LYS 64 -4.814 -6.053 -6.241 491 HZ3 LYS 64 3HZ LYS 64 -5.608 -4.957 -7.256 492 H MET 65 H MET 65 -5.800 -0.045 -1.409 493 HA MET 65 HA MET 65 -8.621 -0.206 -2.167 494 HB2 MET 65 1HB MET 65 -8.368 0.348 0.307 495 HB3 MET 65 2HB MET 65 -7.655 1.871 -0.208 496 HG2 MET 65 1HG MET 65 -9.676 2.530 -1.293 497 HG3 MET 65 2HG MET 65 -10.392 0.941 -1.031 498 HE1 MET 65 1HE MET 65 -9.918 4.425 0.114 499 HE2 MET 65 2HE MET 65 -11.614 3.997 -0.110 500 HE3 MET 65 3HE MET 65 -11.030 4.485 1.482 501 H ASP 66 H ASP 66 -9.259 1.298 -3.662 502 HA ASP 66 HA ASP 66 -7.114 2.780 -4.954 503 HB2 ASP 66 1HB ASP 66 -9.845 2.968 -6.057 504 HB3 ASP 66 2HB ASP 66 -8.322 2.615 -6.867 505 H SER 67 H SER 67 -6.710 4.596 -3.777 506 HA SER 67 HA SER 67 -8.645 6.202 -2.522 507 HB2 SER 67 1HB SER 67 -6.016 6.133 -2.304 508 HB3 SER 67 2HB SER 67 -6.093 7.402 -3.526 509 HG SER 67 HG SER 67 -7.585 7.481 -1.120 510 H THR 68 H THR 68 -7.816 5.865 -5.802 511 HA THR 68 HA THR 68 -8.762 8.509 -6.563 512 HB THR 68 HB THR 68 -8.017 8.066 -8.734 513 HG1 THR 68 1HG THR 68 -9.067 6.058 -9.035 514 HG21 THR 68 1HG2 THR 68 -5.770 7.415 -8.498 515 HG22 THR 68 2HG2 THR 68 -6.142 6.301 -7.182 516 HG23 THR 68 3HG2 THR 68 -6.217 8.042 -6.912 517 H ALA 69 H ALA 69 -10.017 5.379 -6.096 518 HA ALA 69 HA ALA 69 -12.413 6.037 -7.680 519 HB1 ALA 69 1HB ALA 69 -11.699 3.280 -6.727 520 HB2 ALA 69 2HB ALA 69 -12.819 3.750 -8.007 521 HB3 ALA 69 3HB ALA 69 -11.081 3.938 -8.243 522 H ASN 70 H ASN 70 -11.186 5.635 -4.541 523 HA ASN 70 HA ASN 70 -13.908 5.762 -3.452 524 HB2 ASN 70 1HB ASN 70 -11.702 4.053 -2.283 525 HB3 ASN 70 2HB ASN 70 -13.339 4.221 -1.656 526 HD21 ASN 70 1HD2 ASN 70 -11.298 2.609 -3.848 527 HD22 ASN 70 2HD2 ASN 70 -12.495 1.604 -4.586 528 H GLU 71 H GLU 71 -14.178 7.282 -1.927 529 HA GLU 71 HA GLU 71 -11.759 8.544 -0.811 530 HB2 GLU 71 1HB GLU 71 -13.309 9.814 -2.532 531 HB3 GLU 71 2HB GLU 71 -14.304 10.079 -1.107 532 HG2 GLU 71 1HG GLU 71 -12.353 11.088 0.022 533 HG3 GLU 71 2HG GLU 71 -11.432 10.901 -1.470 534 H VAL 72 H VAL 72 -11.694 8.924 1.348 535 HA VAL 72 HA VAL 72 -14.113 8.581 2.945 536 HB VAL 72 HB VAL 72 -12.895 7.073 4.534 537 HG11 VAL 72 1HG1 VAL 72 -13.469 6.116 1.737 538 HG12 VAL 72 2HG1 VAL 72 -13.155 5.030 3.093 539 HG13 VAL 72 3HG1 VAL 72 -14.552 6.107 3.128 540 HG21 VAL 72 1HG2 VAL 72 -10.849 7.289 2.390 541 HG22 VAL 72 2HG2 VAL 72 -10.648 7.172 4.139 542 HG23 VAL 72 3HG2 VAL 72 -11.042 5.733 3.198 543 H GLU 73 H GLU 73 -14.047 9.591 4.955 544 HA GLU 73 HA GLU 73 -12.158 11.744 5.166 545 HB2 GLU 73 1HB GLU 73 -13.457 12.429 7.113 546 HB3 GLU 73 2HB GLU 73 -14.519 12.056 5.763 547 HG2 GLU 73 1HG GLU 73 -13.935 9.909 7.728 548 HG3 GLU 73 2HG GLU 73 -15.029 11.208 8.199 549 H ALA 74 H ALA 74 -12.601 8.619 6.637 550 HA ALA 74 HA ALA 74 -11.046 8.941 8.943 551 HB1 ALA 74 1HB ALA 74 -11.457 6.766 9.269 552 HB2 ALA 74 2HB ALA 74 -12.479 6.893 7.837 553 HB3 ALA 74 3HB ALA 74 -10.821 6.312 7.688 554 H VAL 75 H VAL 75 -10.143 8.786 5.638 555 HA VAL 75 HA VAL 75 -7.355 9.110 6.346 556 HB VAL 75 HB VAL 75 -8.339 6.709 4.830 557 HG11 VAL 75 1HG1 VAL 75 -5.693 6.494 4.504 558 HG12 VAL 75 2HG1 VAL 75 -6.750 7.237 3.301 559 HG13 VAL 75 3HG1 VAL 75 -5.845 8.249 4.428 560 HG21 VAL 75 1HG2 VAL 75 -7.993 6.046 6.996 561 HG22 VAL 75 2HG2 VAL 75 -6.384 5.773 6.328 562 HG23 VAL 75 3HG2 VAL 75 -6.712 7.227 7.270 563 H LYS 76 H LYS 76 -6.876 10.896 5.255 564 HA LYS 76 HA LYS 76 -7.995 11.278 2.568 565 HB2 LYS 76 1HB LYS 76 -6.947 13.156 4.659 566 HB3 LYS 76 2HB LYS 76 -7.010 13.659 2.975 567 HG2 LYS 76 1HG LYS 76 -9.414 12.577 4.409 568 HG3 LYS 76 2HG LYS 76 -8.977 14.287 4.447 569 HD2 LYS 76 1HD LYS 76 -9.381 14.572 2.182 570 HD3 LYS 76 2HD LYS 76 -9.194 12.852 1.830 571 HE2 LYS 76 1HE LYS 76 -11.495 13.244 1.646 572 HE3 LYS 76 2HE LYS 76 -11.298 12.517 3.240 573 HZ1 LYS 76 1HZ LYS 76 -12.406 15.014 2.580 574 HZ2 LYS 76 2HZ LYS 76 -11.040 15.272 3.542 575 HZ3 LYS 76 3HZ LYS 76 -12.292 14.280 4.100 576 H VAL 77 H VAL 77 -6.711 10.539 1.008 577 HA VAL 77 HA VAL 77 -3.800 10.810 1.311 578 HB VAL 77 HB VAL 77 -5.252 9.136 -0.735 579 HG11 VAL 77 1HG1 VAL 77 -2.927 9.726 -1.258 580 HG12 VAL 77 2HG1 VAL 77 -2.414 9.035 0.283 581 HG13 VAL 77 3HG1 VAL 77 -3.117 7.998 -0.959 582 HG21 VAL 77 1HG2 VAL 77 -5.674 8.578 1.752 583 HG22 VAL 77 2HG2 VAL 77 -5.179 7.281 0.665 584 HG23 VAL 77 3HG2 VAL 77 -4.000 8.022 1.748 585 H HIS 78 H HIS 78 -2.708 12.215 0.100 586 HA HIS 78 HA HIS 78 -4.101 13.458 -2.179 587 HB2 HIS 78 1HB HIS 78 -1.787 14.701 -0.711 588 HB3 HIS 78 2HB HIS 78 -2.984 15.486 -1.737 589 HD1 HIS 78 1HD HIS 78 -4.486 16.886 -0.382 590 HD2 HIS 78 2HD HIS 78 -3.359 13.441 1.650 591 HE1 HIS 78 1HE HIS 78 -5.661 17.000 1.839 592 HE2 HIS 78 2HE HIS 78 -4.897 14.948 3.083 593 H SER 79 H SER 79 -1.374 11.637 -1.191 594 HA SER 79 HA SER 79 -0.193 11.940 -3.876 595 HB2 SER 79 1HB SER 79 1.094 12.742 -1.694 596 HB3 SER 79 2HB SER 79 1.494 11.028 -1.587 597 HG SER 79 HG SER 79 2.724 11.194 -3.309 598 H PHE 80 H PHE 80 1.187 9.990 -4.470 599 HA PHE 80 HA PHE 80 0.500 7.469 -3.291 600 HB2 PHE 80 1HB PHE 80 -0.455 7.861 -6.120 601 HB3 PHE 80 2HB PHE 80 -0.814 6.536 -5.018 602 HD1 PHE 80 1HD PHE 80 -2.384 6.877 -3.146 603 HD2 PHE 80 2HD PHE 80 -1.729 9.863 -6.108 604 HE1 PHE 80 1HE PHE 80 -4.459 8.009 -2.459 605 HE2 PHE 80 2HE PHE 80 -3.801 11.000 -5.425 606 HZ PHE 80 HZ PHE 80 -5.169 10.074 -3.598 607 HA PRO 81 HA PRO 81 0.480 5.289 -4.147 608 HB2 PRO 81 1HB PRO 81 2.232 3.456 -3.178 609 HB3 PRO 81 2HB PRO 81 1.695 3.475 -4.862 610 HG2 PRO 81 1HG PRO 81 4.228 4.536 -3.670 611 HG3 PRO 81 2HG PRO 81 3.996 3.617 -5.169 612 HD2 PRO 81 1HD PRO 81 4.323 6.305 -5.144 613 HD3 PRO 81 2HD PRO 81 3.321 5.477 -6.353 614 H THR 82 H THR 82 -0.260 5.103 -2.072 615 HA THR 82 HA THR 82 1.455 6.189 0.065 616 HB THR 82 HB THR 82 -1.476 6.706 -0.427 617 HG1 THR 82 1HG THR 82 0.485 8.636 0.186 618 HG21 THR 82 1HG2 THR 82 -1.087 6.139 1.956 619 HG22 THR 82 2HG2 THR 82 -1.577 7.817 1.720 620 HG23 THR 82 3HG2 THR 82 0.113 7.427 2.037 621 H LEU 83 H LEU 83 1.740 4.875 1.743 622 HA LEU 83 HA LEU 83 -0.137 2.632 2.091 623 HB2 LEU 83 1HB LEU 83 2.739 2.736 2.972 624 HB3 LEU 83 2HB LEU 83 1.668 1.337 2.985 625 HG LEU 83 HG LEU 83 2.729 2.721 0.521 626 HD11 LEU 83 1HD1 LEU 83 3.405 -0.018 1.564 627 HD12 LEU 83 2HD1 LEU 83 4.381 1.413 1.895 628 HD13 LEU 83 3HD1 LEU 83 4.163 0.859 0.235 629 HD21 LEU 83 1HD2 LEU 83 1.820 0.531 -0.504 630 HD22 LEU 83 2HD2 LEU 83 0.690 1.835 -0.141 631 HD23 LEU 83 3HD2 LEU 83 0.821 0.454 0.948 632 H LYS 84 H LYS 84 -0.990 2.225 4.078 633 HA LYS 84 HA LYS 84 -0.070 3.814 6.358 634 HB2 LYS 84 1HB LYS 84 -2.998 3.601 5.661 635 HB3 LYS 84 2HB LYS 84 -2.262 4.590 6.915 636 HG2 LYS 84 1HG LYS 84 -1.002 5.607 4.797 637 HG3 LYS 84 2HG LYS 84 -2.482 5.061 4.006 638 HD2 LYS 84 1HD LYS 84 -3.829 6.465 5.287 639 HD3 LYS 84 2HD LYS 84 -2.599 6.660 6.538 640 HE2 LYS 84 1HE LYS 84 -1.985 7.614 3.788 641 HE3 LYS 84 2HE LYS 84 -3.101 8.562 4.770 642 HZ1 LYS 84 1HZ LYS 84 -1.403 8.678 6.499 643 HZ2 LYS 84 2HZ LYS 84 -0.844 9.341 5.047 644 HZ3 LYS 84 3HZ LYS 84 -0.331 7.802 5.526 645 H PHE 85 H PHE 85 0.136 2.595 8.115 646 HA PHE 85 HA PHE 85 -1.003 -0.091 8.103 647 HB2 PHE 85 1HB PHE 85 1.345 0.009 8.611 648 HB3 PHE 85 2HB PHE 85 1.077 1.227 9.854 649 HD1 PHE 85 1HD PHE 85 0.125 0.617 12.009 650 HD2 PHE 85 2HD PHE 85 0.919 -2.315 9.027 651 HE1 PHE 85 1HE PHE 85 -0.082 -1.156 13.702 652 HE2 PHE 85 2HE PHE 85 0.712 -4.093 10.716 653 HZ PHE 85 HZ PHE 85 0.211 -3.515 13.056 654 H PHE 86 H PHE 86 -2.675 -0.689 9.322 655 HA PHE 86 HA PHE 86 -3.698 1.239 11.293 656 HB2 PHE 86 1HB PHE 86 -5.178 -0.992 9.884 657 HB3 PHE 86 2HB PHE 86 -5.886 0.199 10.970 658 HD1 PHE 86 1HD PHE 86 -3.764 2.268 9.556 659 HD2 PHE 86 2HD PHE 86 -7.014 -0.191 8.330 660 HE1 PHE 86 1HE PHE 86 -4.172 3.765 7.647 661 HE2 PHE 86 2HE PHE 86 -7.427 1.301 6.418 662 HZ PHE 86 HZ PHE 86 -6.004 3.282 6.074 663 HA PRO 87 HA PRO 87 -2.281 -1.856 14.227 664 HB2 PRO 87 1HB PRO 87 -2.709 -0.308 16.415 665 HB3 PRO 87 2HB PRO 87 -1.290 -0.131 15.375 666 HG2 PRO 87 1HG PRO 87 -3.820 1.469 15.417 667 HG3 PRO 87 2HG PRO 87 -2.145 2.029 15.267 668 HD2 PRO 87 1HD PRO 87 -3.797 1.792 13.135 669 HD3 PRO 87 2HD PRO 87 -2.045 1.529 13.019 670 H ALA 88 H ALA 88 -3.259 -2.866 16.165 671 HA ALA 88 HA ALA 88 -6.032 -3.426 15.706 672 HB1 ALA 88 1HB ALA 88 -4.665 -4.367 18.172 673 HB2 ALA 88 2HB ALA 88 -5.759 -5.224 17.086 674 HB3 ALA 88 3HB ALA 88 -4.081 -4.955 16.615 675 H SER 89 H SER 89 -5.995 -0.793 16.201 676 HA SER 89 HA SER 89 -6.863 -0.495 18.998 677 HB2 SER 89 1HB SER 89 -6.249 1.767 18.920 678 HB3 SER 89 2HB SER 89 -4.977 0.973 17.990 679 HG SER 89 HG SER 89 -6.256 1.512 16.094 680 H ALA 90 H ALA 90 -8.898 0.145 19.470 681 HA ALA 90 HA ALA 90 -10.845 0.080 17.334 682 HB1 ALA 90 1HB ALA 90 -12.355 0.586 19.468 683 HB2 ALA 90 2HB ALA 90 -11.749 -1.029 19.097 684 HB3 ALA 90 3HB ALA 90 -10.922 -0.030 20.293 685 H ASP 91 H ASP 91 -8.888 2.382 17.795 686 HA ASP 91 HA ASP 91 -10.884 4.545 17.941 687 HB2 ASP 91 1HB ASP 91 -7.915 4.879 18.356 688 HB3 ASP 91 2HB ASP 91 -9.203 6.007 18.770 689 H ARG 92 H ARG 92 -10.325 2.989 15.582 690 HA ARG 92 HA ARG 92 -9.578 3.167 13.407 691 HB2 ARG 92 1HB ARG 92 -10.527 5.133 12.294 692 HB3 ARG 92 2HB ARG 92 -11.665 4.441 13.442 693 HG2 ARG 92 1HG ARG 92 -11.475 6.213 14.905 694 HG3 ARG 92 2HG ARG 92 -9.893 6.689 14.284 695 HD2 ARG 92 1HD ARG 92 -11.411 8.323 13.512 696 HD3 ARG 92 2HD ARG 92 -11.066 7.288 12.126 697 HE ARG 92 HE ARG 92 -13.286 6.163 13.119 698 HH11 ARG 92 2HH1 ARG 92 -12.484 9.474 12.399 699 HH12 ARG 92 1HH1 ARG 92 -14.115 9.924 12.027 700 HH21 ARG 92 2HH2 ARG 92 -15.437 6.744 12.632 701 HH22 ARG 92 1HH2 ARG 92 -15.794 8.371 12.160 702 H THR 93 H THR 93 -7.387 3.484 14.971 703 HA THR 93 HA THR 93 -6.004 5.936 14.412 704 HB THR 93 HB THR 93 -4.863 3.322 15.417 705 HG1 THR 93 1HG THR 93 -6.603 4.413 16.693 706 HG21 THR 93 1HG2 THR 93 -3.181 4.885 14.547 707 HG22 THR 93 2HG2 THR 93 -3.057 4.711 16.298 708 HG23 THR 93 3HG2 THR 93 -3.811 6.147 15.604 709 H VAL 94 H VAL 94 -4.195 6.219 13.064 710 HA VAL 94 HA VAL 94 -3.728 4.127 11.055 711 HB VAL 94 HB VAL 94 -4.421 7.005 10.529 712 HG11 VAL 94 1HG1 VAL 94 -3.020 5.105 8.651 713 HG12 VAL 94 2HG1 VAL 94 -3.698 6.671 8.201 714 HG13 VAL 94 3HG1 VAL 94 -2.350 6.586 9.336 715 HG21 VAL 94 1HG2 VAL 94 -5.887 4.673 10.423 716 HG22 VAL 94 2HG2 VAL 94 -6.299 6.194 9.631 717 HG23 VAL 94 3HG2 VAL 94 -5.430 4.944 8.741 718 H ILE 95 H ILE 95 -1.640 3.826 10.531 719 HA ILE 95 HA ILE 95 0.318 5.717 11.658 720 HB ILE 95 HB ILE 95 0.530 2.751 11.162 721 HG12 ILE 95 1HG1 ILE 95 0.680 4.483 13.635 722 HG13 ILE 95 2HG1 ILE 95 -0.550 3.285 13.246 723 HG21 ILE 95 1HG2 ILE 95 2.706 4.684 11.952 724 HG22 ILE 95 2HG2 ILE 95 2.850 2.927 11.965 725 HG23 ILE 95 3HG2 ILE 95 2.601 3.780 10.441 726 HD11 ILE 95 1HD1 ILE 95 2.298 2.837 14.059 727 HD12 ILE 95 2HD1 ILE 95 0.822 2.271 14.842 728 HD13 ILE 95 3HD1 ILE 95 1.326 1.576 13.302 729 H ASP 96 H ASP 96 2.066 6.380 10.429 730 HA ASP 96 HA ASP 96 1.678 6.186 7.550 731 HB2 ASP 96 1HB ASP 96 3.604 7.855 9.181 732 HB3 ASP 96 2HB ASP 96 3.408 7.952 7.433 733 H TYR 97 H TYR 97 2.794 4.857 6.290 734 HA TYR 97 HA TYR 97 4.921 3.255 7.422 735 HB2 TYR 97 1HB TYR 97 3.295 2.121 6.046 736 HB3 TYR 97 2HB TYR 97 3.585 3.229 4.710 737 HD1 TYR 97 1HD TYR 97 5.625 3.053 3.368 738 HD2 TYR 97 2HD TYR 97 4.812 0.303 6.510 739 HE1 TYR 97 1HE TYR 97 7.345 1.537 2.478 740 HE2 TYR 97 2HE TYR 97 6.531 -1.220 5.630 741 HH TYR 97 HH TYR 97 8.794 -0.722 4.046 742 H ASN 98 H ASN 98 6.835 4.260 7.581 743 HA ASN 98 HA ASN 98 7.827 5.727 5.227 744 HB2 ASN 98 1HB ASN 98 8.974 6.008 7.994 745 HB3 ASN 98 2HB ASN 98 9.078 7.128 6.639 746 HD21 ASN 98 1HD2 ASN 98 6.679 7.647 5.833 747 HD22 ASN 98 2HD2 ASN 98 5.656 8.238 7.095 748 H GLY 99 H GLY 99 8.008 2.992 5.150 749 HA2 GLY 99 1HA GLY 99 10.688 2.257 6.048 750 HA3 GLY 99 2HA GLY 99 9.497 1.178 5.338 751 H GLU 100 H GLU 100 10.777 0.290 3.770 752 HA GLU 100 HA GLU 100 12.123 2.087 1.894 753 HB2 GLU 100 1HB GLU 100 12.909 -0.241 0.973 754 HB3 GLU 100 2HB GLU 100 13.634 0.431 2.427 755 HG2 GLU 100 1HG GLU 100 11.268 -1.330 2.741 756 HG3 GLU 100 2HG GLU 100 12.806 -2.070 2.300 757 H ARG 101 H ARG 101 9.233 0.394 2.221 758 HA ARG 101 HA ARG 101 7.472 0.044 0.824 759 HB2 ARG 101 1HB ARG 101 8.028 2.364 0.067 760 HB3 ARG 101 2HB ARG 101 9.031 1.662 -1.196 761 HG2 ARG 101 1HG ARG 101 7.190 0.778 -2.331 762 HG3 ARG 101 2HG ARG 101 6.129 0.966 -0.934 763 HD2 ARG 101 1HD ARG 101 5.664 2.647 -2.649 764 HD3 ARG 101 2HD ARG 101 6.238 3.386 -1.155 765 HE ARG 101 HE ARG 101 8.144 4.077 -2.253 766 HH11 ARG 101 2HH1 ARG 101 6.341 1.878 -4.260 767 HH12 ARG 101 1HH1 ARG 101 7.274 2.205 -5.683 768 HH21 ARG 101 2HH2 ARG 101 9.380 4.517 -4.119 769 HH22 ARG 101 1HH2 ARG 101 9.003 3.706 -5.601 770 H THR 102 H THR 102 9.396 -1.944 0.994 771 HA THR 102 HA THR 102 9.316 -3.071 -1.728 772 HB THR 102 HB THR 102 11.412 -4.242 -1.306 773 HG1 THR 102 1HG THR 102 12.350 -4.234 0.621 774 HG21 THR 102 1HG2 THR 102 12.920 -2.381 -1.446 775 HG22 THR 102 2HG2 THR 102 11.760 -1.317 -0.651 776 HG23 THR 102 3HG2 THR 102 11.426 -1.933 -2.269 777 H LEU 103 H LEU 103 8.798 -5.236 -1.921 778 HA LEU 103 HA LEU 103 6.947 -6.400 -0.367 779 HB2 LEU 103 1HB LEU 103 7.550 -7.399 -2.438 780 HB3 LEU 103 2HB LEU 103 9.185 -7.731 -1.873 781 HG LEU 103 HG LEU 103 8.281 -9.401 -0.304 782 HD11 LEU 103 1HD1 LEU 103 6.134 -8.963 0.260 783 HD12 LEU 103 2HD1 LEU 103 5.815 -10.075 -1.071 784 HD13 LEU 103 3HD1 LEU 103 5.723 -8.334 -1.336 785 HD21 LEU 103 1HD2 LEU 103 8.055 -11.088 -1.880 786 HD22 LEU 103 2HD2 LEU 103 8.940 -9.843 -2.762 787 HD23 LEU 103 3HD2 LEU 103 7.207 -10.047 -3.023 788 H ASP 104 H ASP 104 10.443 -6.941 0.037 789 HA ASP 104 HA ASP 104 10.117 -8.492 2.413 790 HB2 ASP 104 1HB ASP 104 12.115 -8.355 0.684 791 HB3 ASP 104 2HB ASP 104 12.691 -7.111 1.789 792 H GLY 105 H GLY 105 10.798 -5.107 1.718 793 HA2 GLY 105 1HA GLY 105 11.523 -4.292 4.306 794 HA3 GLY 105 2HA GLY 105 10.837 -3.251 3.067 795 H PHE 106 H PHE 106 8.385 -4.866 2.869 796 HA PHE 106 HA PHE 106 6.849 -3.489 4.809 797 HB2 PHE 106 1HB PHE 106 6.121 -5.773 2.966 798 HB3 PHE 106 2HB PHE 106 4.960 -4.877 3.940 799 HD1 PHE 106 2HD PHE 106 5.851 -2.124 3.642 800 HD2 PHE 106 1HD PHE 106 5.665 -5.256 0.766 801 HE1 PHE 106 2HE PHE 106 5.633 -0.457 1.847 802 HE2 PHE 106 1HE PHE 106 5.447 -3.593 -1.035 803 HZ PHE 106 HZ PHE 106 5.429 -1.190 -0.496 804 H LYS 107 H LYS 107 7.809 -6.888 4.479 805 HA LYS 107 HA LYS 107 6.433 -7.955 6.635 806 HB2 LYS 107 1HB LYS 107 9.226 -8.836 5.968 807 HB3 LYS 107 2HB LYS 107 7.859 -9.812 6.489 808 HG2 LYS 107 1HG LYS 107 6.844 -8.936 4.202 809 HG3 LYS 107 2HG LYS 107 8.556 -8.801 3.793 810 HD2 LYS 107 1HD LYS 107 8.702 -11.219 4.737 811 HD3 LYS 107 2HD LYS 107 6.956 -11.236 4.480 812 HE2 LYS 107 1HE LYS 107 7.623 -12.021 2.451 813 HE3 LYS 107 2HE LYS 107 7.681 -10.293 2.109 814 HZ1 LYS 107 1HZ LYS 107 10.109 -11.396 3.226 815 HZ2 LYS 107 2HZ LYS 107 9.901 -10.319 1.939 816 HZ3 LYS 107 3HZ LYS 107 9.713 -11.982 1.689 817 H LYS 108 H LYS 108 9.497 -6.221 6.562 818 HA LYS 108 HA LYS 108 10.267 -6.713 9.228 819 HB2 LYS 108 1HB LYS 108 10.918 -4.206 7.688 820 HB3 LYS 108 2HB LYS 108 11.877 -4.993 8.934 821 HG2 LYS 108 1HG LYS 108 11.980 -6.973 7.284 822 HG3 LYS 108 2HG LYS 108 11.482 -5.784 6.079 823 HD2 LYS 108 1HD LYS 108 13.428 -4.363 7.001 824 HD3 LYS 108 2HD LYS 108 13.994 -5.875 7.716 825 HE2 LYS 108 1HE LYS 108 14.054 -6.912 5.518 826 HE3 LYS 108 2HE LYS 108 13.416 -5.441 4.786 827 HZ1 LYS 108 1HZ LYS 108 15.387 -4.308 5.151 828 HZ2 LYS 108 2HZ LYS 108 15.926 -5.849 4.710 829 HZ3 LYS 108 3HZ LYS 108 15.925 -5.388 6.337 830 H PHE 109 H PHE 109 8.296 -4.182 7.753 831 HA PHE 109 HA PHE 109 7.997 -2.678 10.165 832 HB2 PHE 109 1HB PHE 109 7.767 -1.676 7.906 833 HB3 PHE 109 2HB PHE 109 6.299 -2.617 7.662 834 HD1 PHE 109 1HD PHE 109 4.252 -2.058 8.828 835 HD2 PHE 109 2HD PHE 109 7.796 0.234 9.375 836 HE1 PHE 109 1HE PHE 109 2.926 -0.263 9.865 837 HE2 PHE 109 2HE PHE 109 6.476 2.032 10.414 838 HZ PHE 109 HZ PHE 109 4.039 1.785 10.661 839 H LEU 110 H LEU 110 6.022 -5.057 8.447 840 HA LEU 110 HA LEU 110 3.789 -4.893 10.188 841 HB2 LEU 110 1HB LEU 110 4.698 -7.083 8.329 842 HB3 LEU 110 2HB LEU 110 3.149 -7.071 9.169 843 HG LEU 110 HG LEU 110 3.936 -4.856 7.300 844 HD11 LEU 110 1HD1 LEU 110 2.436 -7.354 6.536 845 HD12 LEU 110 2HD1 LEU 110 4.121 -7.037 6.126 846 HD13 LEU 110 3HD1 LEU 110 2.849 -5.993 5.493 847 HD21 LEU 110 1HD2 LEU 110 1.156 -5.752 7.555 848 HD22 LEU 110 2HD2 LEU 110 1.832 -4.123 7.566 849 HD23 LEU 110 3HD2 LEU 110 1.858 -5.100 9.035 850 H GLU 111 H GLU 111 6.201 -7.503 9.835 851 HA GLU 111 HA GLU 111 5.565 -9.090 11.933 852 HB2 GLU 111 1HB GLU 111 8.278 -8.282 10.906 853 HB3 GLU 111 2HB GLU 111 8.088 -9.479 12.179 854 HG2 GLU 111 1HG GLU 111 6.464 -10.612 10.489 855 HG3 GLU 111 2HG GLU 111 7.331 -9.639 9.302 856 H SER 112 H SER 112 7.276 -6.016 12.100 857 HA SER 112 HA SER 112 8.004 -6.143 14.819 858 HB2 SER 112 1HB SER 112 7.500 -3.765 13.017 859 HB3 SER 112 2HB SER 112 8.189 -3.647 14.636 860 HG SER 112 HG SER 112 9.482 -4.084 12.413 861 H GLY 113 H GLY 113 5.183 -4.694 13.209 862 HA2 GLY 113 1HA GLY 113 3.034 -5.113 14.419 863 HA3 GLY 113 2HA GLY 113 3.878 -4.559 15.858 864 H GLY 114 H GLY 114 4.507 -2.994 12.832 865 HA2 GLY 114 1HA GLY 114 3.894 -0.936 11.996 866 HA3 GLY 114 2HA GLY 114 2.487 -0.989 13.049 867 H GLN 115 H GLN 115 5.901 -1.129 13.969 868 HA GLN 115 HA GLN 115 5.535 0.835 15.999 869 HB2 GLN 115 1HB GLN 115 8.012 0.652 16.264 870 HB3 GLN 115 2HB GLN 115 7.168 -0.888 16.346 871 HG2 GLN 115 1HG GLN 115 7.784 -1.335 14.014 872 HG3 GLN 115 2HG GLN 115 8.666 0.191 13.969 873 HE21 GLN 115 1HE2 GLN 115 10.615 -0.820 13.531 874 HE22 GLN 115 2HE2 GLN 115 11.475 -1.728 14.723 875 H SER 116 H SER 116 7.453 2.591 16.062 876 HA SER 116 HA SER 116 8.189 3.855 13.658 877 HB2 SER 116 1HB SER 116 6.679 5.713 13.547 878 HB3 SER 116 2HB SER 116 5.694 4.252 13.612 879 HG SER 116 HG SER 116 4.854 4.966 15.390 880 H GLY 117 H GLY 117 9.781 5.285 14.058 881 HA2 GLY 117 1HA GLY 117 10.019 7.142 16.051 882 HA3 GLY 117 2HA GLY 117 10.625 5.661 16.777 883 HA PRO 118 HA PRO 118 13.747 7.867 13.843 884 HB2 PRO 118 1HB PRO 118 14.949 9.601 15.551 885 HB3 PRO 118 2HB PRO 118 13.567 10.048 14.543 886 HG2 PRO 118 1HG PRO 118 13.630 9.263 17.431 887 HG3 PRO 118 2HG PRO 118 12.720 10.567 16.646 888 HD2 PRO 118 1HD PRO 118 11.590 8.198 17.312 889 HD3 PRO 118 2HD PRO 118 11.075 9.137 15.896 890 H SER 119 H SER 119 15.449 6.567 13.650 891 HA SER 119 HA SER 119 16.339 4.728 15.479 892 HB2 SER 119 1HB SER 119 18.188 4.345 14.062 893 HB3 SER 119 2HB SER 119 16.933 4.961 12.987 894 HG SER 119 HG SER 119 17.995 7.098 13.500 895 H SER 120 H SER 120 18.256 4.583 16.776 896 HA SER 120 HA SER 120 19.492 5.318 18.550 897 HB2 SER 120 1HB SER 120 20.204 7.144 16.289 898 HB3 SER 120 2HB SER 120 20.864 7.476 17.891 899 HG SER 120 HG SER 120 21.330 5.012 17.687 900 H GLY 121 H GLY 121 16.800 6.096 18.694 901 HA2 GLY 121 1HA GLY 121 16.178 8.727 19.124 902 HA3 GLY 121 2HA GLY 121 15.505 7.409 20.072 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -20.461 -22.243 -4.575 2 HA2 GLY 1 1HA GLY 1 -20.029 -20.504 -6.012 3 HA3 GLY 1 2HA GLY 1 -21.525 -19.821 -5.395 4 H SER 2 H SER 2 -21.131 -18.962 -2.988 5 HA SER 2 HA SER 2 -18.754 -17.226 -3.143 6 HB2 SER 2 1HB SER 2 -20.117 -15.579 -1.817 7 HB3 SER 2 2HB SER 2 -20.732 -15.887 -3.441 8 HG SER 2 HG SER 2 -22.518 -16.495 -2.544 9 H SER 3 H SER 3 -18.295 -19.587 -1.998 10 HA SER 3 HA SER 3 -18.763 -19.439 0.862 11 HB2 SER 3 1HB SER 3 -17.376 -21.460 -0.903 12 HB3 SER 3 2HB SER 3 -17.393 -21.585 0.856 13 HG SER 3 HG SER 3 -19.237 -22.542 0.559 14 H GLY 4 H GLY 4 -17.411 -17.232 0.278 15 HA2 GLY 4 1HA GLY 4 -15.618 -16.258 1.528 16 HA3 GLY 4 2HA GLY 4 -14.751 -17.782 1.406 17 H SER 5 H SER 5 -14.344 -14.801 0.565 18 HA SER 5 HA SER 5 -13.919 -14.996 -2.274 19 HB2 SER 5 1HB SER 5 -13.353 -12.889 -0.201 20 HB3 SER 5 2HB SER 5 -12.723 -12.739 -1.842 21 HG SER 5 HG SER 5 -15.231 -13.364 -2.133 22 H SER 6 H SER 6 -12.178 -15.759 -3.266 23 HA SER 6 HA SER 6 -9.832 -16.448 -1.671 24 HB2 SER 6 1HB SER 6 -9.250 -17.966 -3.379 25 HB3 SER 6 2HB SER 6 -11.009 -18.062 -3.296 26 HG SER 6 HG SER 6 -9.451 -17.344 -5.364 27 H GLY 7 H GLY 7 -8.025 -15.285 -1.700 28 HA2 GLY 7 1HA GLY 7 -6.858 -14.113 -3.952 29 HA3 GLY 7 2HA GLY 7 -7.807 -12.872 -3.148 30 HA PRO 8 HA PRO 8 -3.529 -13.694 -1.127 31 HB2 PRO 8 1HB PRO 8 -2.021 -11.836 -2.409 32 HB3 PRO 8 2HB PRO 8 -2.163 -13.508 -2.965 33 HG2 PRO 8 1HG PRO 8 -3.586 -11.061 -3.939 34 HG3 PRO 8 2HG PRO 8 -2.868 -12.385 -4.875 35 HD2 PRO 8 1HD PRO 8 -5.526 -12.220 -4.388 36 HD3 PRO 8 2HD PRO 8 -4.678 -13.772 -4.539 37 H VAL 9 H VAL 9 -4.647 -10.550 -2.397 38 HA VAL 9 HA VAL 9 -4.401 -9.466 0.334 39 HB VAL 9 HB VAL 9 -2.783 -8.268 -0.819 40 HG11 VAL 9 1HG1 VAL 9 -4.626 -7.985 -3.188 41 HG12 VAL 9 2HG1 VAL 9 -2.929 -7.511 -3.092 42 HG13 VAL 9 3HG1 VAL 9 -3.373 -9.217 -3.042 43 HG21 VAL 9 1HG2 VAL 9 -4.909 -6.923 0.102 44 HG22 VAL 9 2HG2 VAL 9 -3.493 -6.129 -0.586 45 HG23 VAL 9 3HG2 VAL 9 -4.929 -6.382 -1.576 46 H LYS 10 H LYS 10 -6.160 -8.550 1.204 47 HA LYS 10 HA LYS 10 -8.685 -8.821 -0.044 48 HB2 LYS 10 1HB LYS 10 -7.890 -8.579 2.519 49 HB3 LYS 10 2HB LYS 10 -8.419 -6.928 2.222 50 HG2 LYS 10 1HG LYS 10 -10.232 -9.138 1.419 51 HG3 LYS 10 2HG LYS 10 -10.061 -8.777 3.138 52 HD2 LYS 10 1HD LYS 10 -10.585 -6.392 2.613 53 HD3 LYS 10 2HD LYS 10 -10.925 -6.886 0.952 54 HE2 LYS 10 1HE LYS 10 -12.292 -8.231 3.251 55 HE3 LYS 10 2HE LYS 10 -12.878 -6.681 2.647 56 HZ1 LYS 10 1HZ LYS 10 -12.397 -8.537 0.534 57 HZ2 LYS 10 2HZ LYS 10 -13.799 -7.666 0.899 58 HZ3 LYS 10 3HZ LYS 10 -13.506 -9.150 1.655 59 H VAL 11 H VAL 11 -10.141 -7.232 -0.758 60 HA VAL 11 HA VAL 11 -8.856 -4.714 -1.594 61 HB VAL 11 HB VAL 11 -11.177 -6.145 -2.898 62 HG11 VAL 11 1HG1 VAL 11 -10.504 -4.440 -4.755 63 HG12 VAL 11 2HG1 VAL 11 -11.543 -3.930 -3.424 64 HG13 VAL 11 3HG1 VAL 11 -9.825 -3.531 -3.405 65 HG21 VAL 11 1HG2 VAL 11 -8.256 -6.236 -3.312 66 HG22 VAL 11 2HG2 VAL 11 -9.488 -7.454 -3.642 67 HG23 VAL 11 3HG2 VAL 11 -9.246 -6.117 -4.766 68 H LEU 12 H LEU 12 -9.482 -3.060 -0.379 69 HA LEU 12 HA LEU 12 -12.070 -3.089 0.943 70 HB2 LEU 12 1HB LEU 12 -9.969 -0.937 1.048 71 HB3 LEU 12 2HB LEU 12 -11.297 -1.201 2.177 72 HG LEU 12 HG LEU 12 -9.028 -3.151 1.819 73 HD11 LEU 12 1HD1 LEU 12 -8.635 -0.646 2.730 74 HD12 LEU 12 2HD1 LEU 12 -7.738 -2.053 3.300 75 HD13 LEU 12 3HD1 LEU 12 -9.117 -1.453 4.222 76 HD21 LEU 12 1HD2 LEU 12 -10.474 -2.950 4.359 77 HD22 LEU 12 2HD2 LEU 12 -9.995 -4.372 3.432 78 HD23 LEU 12 3HD2 LEU 12 -11.459 -3.488 2.999 79 H VAL 13 H VAL 13 -13.642 -1.464 0.712 80 HA VAL 13 HA VAL 13 -13.396 0.187 -1.716 81 HB VAL 13 HB VAL 13 -15.878 -0.135 -2.020 82 HG11 VAL 13 1HG1 VAL 13 -15.643 -2.261 -3.172 83 HG12 VAL 13 2HG1 VAL 13 -14.200 -1.273 -3.410 84 HG13 VAL 13 3HG1 VAL 13 -14.175 -2.613 -2.262 85 HG21 VAL 13 1HG2 VAL 13 -15.578 -1.530 0.432 86 HG22 VAL 13 2HG2 VAL 13 -17.051 -1.243 -0.494 87 HG23 VAL 13 3HG2 VAL 13 -16.089 -2.690 -0.795 88 H GLY 14 H GLY 14 -14.801 2.088 -1.748 89 HA2 GLY 14 1HA GLY 14 -14.634 3.562 0.654 90 HA3 GLY 14 2HA GLY 14 -15.500 4.055 -0.793 91 H LYS 15 H LYS 15 -16.819 1.188 -0.187 92 HA LYS 15 HA LYS 15 -19.075 2.384 1.222 93 HB2 LYS 15 1HB LYS 15 -19.401 1.082 -0.892 94 HB3 LYS 15 2HB LYS 15 -18.864 -0.357 -0.034 95 HG2 LYS 15 1HG LYS 15 -20.773 -0.467 1.254 96 HG3 LYS 15 2HG LYS 15 -21.143 1.246 1.037 97 HD2 LYS 15 1HD LYS 15 -22.701 0.330 -0.364 98 HD3 LYS 15 2HD LYS 15 -21.358 0.515 -1.494 99 HE2 LYS 15 1HE LYS 15 -20.757 -1.791 -1.253 100 HE3 LYS 15 2HE LYS 15 -21.913 -2.007 0.060 101 HZ1 LYS 15 1HZ LYS 15 -22.356 -1.944 -2.808 102 HZ2 LYS 15 2HZ LYS 15 -23.518 -1.143 -1.875 103 HZ3 LYS 15 3HZ LYS 15 -23.195 -2.781 -1.599 104 H ASN 16 H ASN 16 -16.858 -0.365 1.516 105 HA ASN 16 HA ASN 16 -17.525 -0.487 4.376 106 HB2 ASN 16 1HB ASN 16 -17.442 -2.915 4.338 107 HB3 ASN 16 2HB ASN 16 -18.643 -2.351 3.180 108 HD21 ASN 16 1HD2 ASN 16 -15.501 -3.786 3.586 109 HD22 ASN 16 2HD2 ASN 16 -15.328 -4.351 1.963 110 H PHE 17 H PHE 17 -15.380 0.919 3.261 111 HA PHE 17 HA PHE 17 -12.982 -0.609 3.258 112 HB2 PHE 17 1HB PHE 17 -12.656 1.355 2.118 113 HB3 PHE 17 2HB PHE 17 -13.679 2.283 3.208 114 HD1 PHE 17 2HD PHE 17 -10.445 0.422 3.264 115 HD2 PHE 17 1HD PHE 17 -12.661 3.809 4.581 116 HE1 PHE 17 2HE PHE 17 -8.441 1.287 4.399 117 HE2 PHE 17 1HE PHE 17 -10.660 4.680 5.718 118 HZ PHE 17 HZ PHE 17 -8.547 3.419 5.629 119 H GLU 18 H GLU 18 -13.960 1.940 5.554 120 HA GLU 18 HA GLU 18 -12.131 1.282 7.543 121 HB2 GLU 18 1HB GLU 18 -14.820 2.638 7.680 122 HB3 GLU 18 2HB GLU 18 -13.784 2.457 9.089 123 HG2 GLU 18 1HG GLU 18 -12.136 3.858 8.201 124 HG3 GLU 18 2HG GLU 18 -12.802 3.752 6.573 125 H ASP 19 H ASP 19 -15.316 -0.019 6.869 126 HA ASP 19 HA ASP 19 -15.813 -1.367 9.254 127 HB2 ASP 19 1HB ASP 19 -17.225 -1.079 7.024 128 HB3 ASP 19 2HB ASP 19 -16.561 -2.674 6.679 129 H VAL 20 H VAL 20 -13.783 -2.235 6.526 130 HA VAL 20 HA VAL 20 -13.142 -4.810 7.767 131 HB VAL 20 HB VAL 20 -12.440 -3.702 5.047 132 HG11 VAL 20 1HG1 VAL 20 -10.651 -5.077 5.340 133 HG12 VAL 20 2HG1 VAL 20 -11.481 -6.088 6.525 134 HG13 VAL 20 3HG1 VAL 20 -11.829 -6.276 4.805 135 HG21 VAL 20 1HG2 VAL 20 -13.953 -5.390 4.198 136 HG22 VAL 20 2HG2 VAL 20 -14.257 -5.980 5.832 137 HG23 VAL 20 3HG2 VAL 20 -14.796 -4.368 5.362 138 H ALA 21 H ALA 21 -11.379 -2.103 6.247 139 HA ALA 21 HA ALA 21 -8.819 -2.698 6.954 140 HB1 ALA 21 1HB ALA 21 -10.090 -0.492 5.919 141 HB2 ALA 21 2HB ALA 21 -9.389 0.120 7.417 142 HB3 ALA 21 3HB ALA 21 -8.357 -0.645 6.209 143 H PHE 22 H PHE 22 -10.943 -0.616 8.932 144 HA PHE 22 HA PHE 22 -9.191 -0.816 11.199 145 HB2 PHE 22 1HB PHE 22 -11.895 0.443 10.768 146 HB3 PHE 22 2HB PHE 22 -11.123 0.409 12.350 147 HD1 PHE 22 2HD PHE 22 -8.491 1.138 12.139 148 HD2 PHE 22 1HD PHE 22 -11.696 2.422 9.650 149 HE1 PHE 22 2HE PHE 22 -7.227 3.170 11.566 150 HE2 PHE 22 1HE PHE 22 -10.438 4.456 9.072 151 HZ PHE 22 HZ PHE 22 -8.201 4.833 10.032 152 H ASP 23 H ASP 23 -9.065 -2.674 12.278 153 HA ASP 23 HA ASP 23 -11.522 -3.846 13.324 154 HB2 ASP 23 1HB ASP 23 -10.488 -6.162 12.762 155 HB3 ASP 23 2HB ASP 23 -11.334 -5.278 11.494 156 H GLU 24 H GLU 24 -11.268 -4.014 15.442 157 HA GLU 24 HA GLU 24 -8.871 -3.628 16.807 158 HB2 GLU 24 1HB GLU 24 -10.940 -3.271 17.950 159 HB3 GLU 24 2HB GLU 24 -11.453 -4.929 17.669 160 HG2 GLU 24 1HG GLU 24 -9.903 -5.779 19.228 161 HG3 GLU 24 2HG GLU 24 -9.042 -4.243 19.319 162 H LYS 25 H LYS 25 -7.506 -5.038 17.954 163 HA LYS 25 HA LYS 25 -6.153 -6.859 18.141 164 HB2 LYS 25 1HB LYS 25 -8.869 -8.151 17.958 165 HB3 LYS 25 2HB LYS 25 -7.406 -9.090 18.220 166 HG2 LYS 25 1HG LYS 25 -8.064 -6.787 20.008 167 HG3 LYS 25 2HG LYS 25 -8.823 -8.362 20.250 168 HD2 LYS 25 1HD LYS 25 -6.592 -9.390 20.403 169 HD3 LYS 25 2HD LYS 25 -5.858 -7.797 20.208 170 HE2 LYS 25 1HE LYS 25 -7.823 -8.376 22.403 171 HE3 LYS 25 2HE LYS 25 -6.104 -8.723 22.585 172 HZ1 LYS 25 1HZ LYS 25 -5.559 -6.491 22.478 173 HZ2 LYS 25 2HZ LYS 25 -6.991 -6.469 23.376 174 HZ3 LYS 25 3HZ LYS 25 -7.014 -6.049 21.738 175 H LYS 26 H LYS 26 -6.518 -5.755 15.500 176 HA LYS 26 HA LYS 26 -5.450 -7.971 13.982 177 HB2 LYS 26 1HB LYS 26 -7.731 -8.357 13.452 178 HB3 LYS 26 2HB LYS 26 -8.053 -6.640 13.250 179 HG2 LYS 26 1HG LYS 26 -7.973 -7.347 11.073 180 HG3 LYS 26 2HG LYS 26 -6.306 -6.824 11.325 181 HD2 LYS 26 1HD LYS 26 -6.157 -8.916 10.248 182 HD3 LYS 26 2HD LYS 26 -5.800 -9.235 11.947 183 HE2 LYS 26 1HE LYS 26 -8.263 -9.808 12.196 184 HE3 LYS 26 2HE LYS 26 -8.339 -9.798 10.435 185 HZ1 LYS 26 1HZ LYS 26 -7.354 -11.816 12.176 186 HZ2 LYS 26 2HZ LYS 26 -6.164 -11.357 11.064 187 HZ3 LYS 26 3HZ LYS 26 -7.671 -11.896 10.516 188 H ASN 27 H ASN 27 -3.704 -7.186 13.023 189 HA ASN 27 HA ASN 27 -3.474 -4.328 12.535 190 HB2 ASN 27 1HB ASN 27 -1.399 -6.481 12.086 191 HB3 ASN 27 2HB ASN 27 -1.123 -4.744 12.176 192 HD21 ASN 27 1HD2 ASN 27 -1.812 -7.637 13.965 193 HD22 ASN 27 2HD2 ASN 27 -1.471 -6.993 15.531 194 H VAL 28 H VAL 28 -4.607 -3.798 10.732 195 HA VAL 28 HA VAL 28 -4.192 -5.367 8.292 196 HB VAL 28 HB VAL 28 -6.164 -3.149 8.860 197 HG11 VAL 28 1HG1 VAL 28 -5.205 -4.029 6.400 198 HG12 VAL 28 2HG1 VAL 28 -6.761 -4.838 6.594 199 HG13 VAL 28 3HG1 VAL 28 -6.661 -3.079 6.692 200 HG21 VAL 28 1HG2 VAL 28 -7.837 -4.959 8.793 201 HG22 VAL 28 2HG2 VAL 28 -6.532 -6.137 8.652 202 HG23 VAL 28 3HG2 VAL 28 -6.682 -5.158 10.111 203 H PHE 29 H PHE 29 -3.003 -4.650 6.636 204 HA PHE 29 HA PHE 29 -1.934 -1.914 6.805 205 HB2 PHE 29 1HB PHE 29 -0.271 -3.758 6.938 206 HB3 PHE 29 2HB PHE 29 -0.775 -4.293 5.339 207 HD1 PHE 29 1HD PHE 29 -0.817 -0.745 5.791 208 HD2 PHE 29 2HD PHE 29 1.679 -4.046 4.797 209 HE1 PHE 29 1HE PHE 29 0.807 0.795 4.768 210 HE2 PHE 29 2HE PHE 29 3.307 -2.511 3.773 211 HZ PHE 29 HZ PHE 29 2.872 -0.087 3.758 212 H VAL 30 H VAL 30 -3.316 -0.697 5.623 213 HA VAL 30 HA VAL 30 -4.369 -1.633 3.099 214 HB VAL 30 HB VAL 30 -4.587 1.161 4.210 215 HG11 VAL 30 1HG1 VAL 30 -6.833 0.924 2.959 216 HG12 VAL 30 2HG1 VAL 30 -5.363 1.181 2.018 217 HG13 VAL 30 3HG1 VAL 30 -6.058 -0.435 2.145 218 HG21 VAL 30 1HG2 VAL 30 -6.849 0.274 5.057 219 HG22 VAL 30 2HG2 VAL 30 -6.109 -1.322 4.925 220 HG23 VAL 30 3HG2 VAL 30 -5.401 -0.108 5.990 221 H GLU 31 H GLU 31 -4.101 -0.466 1.092 222 HA GLU 31 HA GLU 31 -1.675 1.164 0.898 223 HB2 GLU 31 1HB GLU 31 -0.713 -0.858 0.287 224 HB3 GLU 31 2HB GLU 31 -2.187 -1.448 -0.469 225 HG2 GLU 31 1HG GLU 31 -1.839 0.277 -2.258 226 HG3 GLU 31 2HG GLU 31 -0.256 0.584 -1.549 227 H PHE 32 H PHE 32 -2.503 3.025 0.179 228 HA PHE 32 HA PHE 32 -4.719 3.070 -1.679 229 HB2 PHE 32 1HB PHE 32 -3.088 5.312 -0.468 230 HB3 PHE 32 2HB PHE 32 -4.518 5.537 -1.471 231 HD1 PHE 32 1HD PHE 32 -6.732 4.923 -0.634 232 HD2 PHE 32 2HD PHE 32 -3.262 4.625 1.814 233 HE1 PHE 32 1HE PHE 32 -8.159 4.768 1.365 234 HE2 PHE 32 2HE PHE 32 -4.684 4.468 3.816 235 HZ PHE 32 HZ PHE 32 -7.135 4.538 3.593 236 H TYR 33 H TYR 33 -4.077 2.341 -3.653 237 HA TYR 33 HA TYR 33 -1.728 3.589 -4.893 238 HB2 TYR 33 1HB TYR 33 -1.769 1.767 -6.488 239 HB3 TYR 33 2HB TYR 33 -1.843 1.106 -4.859 240 HD1 TYR 33 2HD TYR 33 -3.974 1.996 -7.775 241 HD2 TYR 33 1HD TYR 33 -3.562 -0.361 -4.257 242 HE1 TYR 33 2HE TYR 33 -6.002 0.745 -8.383 243 HE2 TYR 33 1HE TYR 33 -5.589 -1.620 -4.856 244 HH TYR 33 HH TYR 33 -7.320 -0.979 -7.885 245 H ALA 34 H ALA 34 -2.017 3.809 -7.383 246 HA ALA 34 HA ALA 34 -4.652 4.995 -7.954 247 HB1 ALA 34 1HB ALA 34 -3.766 6.950 -8.757 248 HB2 ALA 34 2HB ALA 34 -2.629 6.592 -7.456 249 HB3 ALA 34 3HB ALA 34 -2.203 6.220 -9.127 250 HA PRO 35 HA PRO 35 -4.515 2.387 -11.517 251 HB2 PRO 35 1HB PRO 35 -6.532 3.556 -12.908 252 HB3 PRO 35 2HB PRO 35 -6.809 2.521 -11.502 253 HG2 PRO 35 1HG PRO 35 -6.766 5.509 -11.674 254 HG3 PRO 35 2HG PRO 35 -7.893 4.454 -10.801 255 HD2 PRO 35 1HD PRO 35 -5.850 5.739 -9.572 256 HD3 PRO 35 2HD PRO 35 -6.440 4.152 -9.037 257 H TRP 36 H TRP 36 -3.621 5.619 -11.429 258 HA TRP 36 HA TRP 36 -2.779 5.541 -14.253 259 HB2 TRP 36 1HB TRP 36 -2.686 8.174 -13.752 260 HB3 TRP 36 2HB TRP 36 -4.135 7.371 -14.352 261 HD1 TRP 36 HD TRP 36 -6.197 7.154 -12.695 262 HE1 TRP 36 1HE TRP 36 -6.755 8.288 -10.452 263 HE3 TRP 36 3HE TRP 36 -1.589 9.068 -11.586 264 HZ2 TRP 36 2HZ TRP 36 -5.418 9.795 -8.475 265 HZ3 TRP 36 3HZ TRP 36 -1.312 10.345 -9.500 266 HH2 TRP 36 HH TRP 36 -3.189 10.700 -7.979 267 H CYS 37 H CYS 37 -1.934 6.522 -10.969 268 HA CYS 37 HA CYS 37 0.537 7.650 -11.336 269 HB2 CYS 37 1HB CYS 37 -0.566 7.468 -9.147 270 HB3 CYS 37 2HB CYS 37 -0.263 5.735 -9.134 271 HG CYS 37 HG CYS 37 1.495 7.760 -7.617 272 H GLY 38 H GLY 38 2.410 6.994 -12.162 273 HA2 GLY 38 1HA GLY 38 2.760 4.430 -13.276 274 HA3 GLY 38 2HA GLY 38 4.025 5.631 -13.056 275 H HIS 39 H HIS 39 4.563 5.881 -10.559 276 HA HIS 39 HA HIS 39 6.004 3.703 -9.763 277 HB2 HIS 39 1HB HIS 39 4.676 5.669 -7.886 278 HB3 HIS 39 2HB HIS 39 6.098 4.689 -7.539 279 HD1 HIS 39 1HD HIS 39 8.345 5.511 -8.427 280 HD2 HIS 39 2HD HIS 39 5.135 7.872 -9.604 281 HE1 HIS 39 1HE HIS 39 9.364 7.586 -9.418 282 HE2 HIS 39 2HE HIS 39 7.403 9.036 -10.045 283 H CYS 40 H CYS 40 2.617 4.381 -9.105 284 HA CYS 40 HA CYS 40 2.196 2.339 -7.204 285 HB2 CYS 40 1HB CYS 40 0.353 3.832 -9.061 286 HB3 CYS 40 2HB CYS 40 -0.242 2.575 -7.984 287 HG CYS 40 HG CYS 40 0.178 3.868 -5.667 288 H LYS 41 H LYS 41 1.758 2.425 -10.724 289 HA LYS 41 HA LYS 41 0.633 -0.054 -11.142 290 HB2 LYS 41 1HB LYS 41 2.519 1.617 -12.769 291 HB3 LYS 41 2HB LYS 41 2.041 0.023 -13.338 292 HG2 LYS 41 1HG LYS 41 -0.264 0.665 -13.394 293 HG3 LYS 41 2HG LYS 41 0.100 2.209 -12.620 294 HD2 LYS 41 1HD LYS 41 1.248 3.001 -14.533 295 HD3 LYS 41 2HD LYS 41 1.290 1.394 -15.263 296 HE2 LYS 41 1HE LYS 41 -1.180 1.457 -15.431 297 HE3 LYS 41 2HE LYS 41 -1.153 3.104 -14.803 298 HZ1 LYS 41 1HZ LYS 41 -0.587 3.908 -16.784 299 HZ2 LYS 41 2HZ LYS 41 -1.007 2.400 -17.423 300 HZ3 LYS 41 3HZ LYS 41 0.605 2.735 -17.036 301 H GLN 42 H GLN 42 3.850 0.715 -10.138 302 HA GLN 42 HA GLN 42 4.899 -1.912 -10.769 303 HB2 GLN 42 1HB GLN 42 6.140 0.386 -9.247 304 HB3 GLN 42 2HB GLN 42 6.975 -1.083 -9.734 305 HG2 GLN 42 1HG GLN 42 6.748 -0.529 -12.045 306 HG3 GLN 42 2HG GLN 42 5.702 0.838 -11.664 307 HE21 GLN 42 1HE2 GLN 42 7.917 1.186 -13.216 308 HE22 GLN 42 2HE2 GLN 42 9.102 2.100 -12.353 309 H LEU 43 H LEU 43 3.400 -0.298 -8.121 310 HA LEU 43 HA LEU 43 4.364 -2.140 -6.116 311 HB2 LEU 43 1HB LEU 43 3.680 0.336 -5.819 312 HB3 LEU 43 2HB LEU 43 2.034 -0.291 -5.769 313 HG LEU 43 HG LEU 43 2.736 -1.727 -3.837 314 HD11 LEU 43 1HD1 LEU 43 5.302 -0.586 -4.528 315 HD12 LEU 43 2HD1 LEU 43 4.917 -1.945 -3.473 316 HD13 LEU 43 3HD1 LEU 43 4.892 -0.301 -2.836 317 HD21 LEU 43 1HD2 LEU 43 2.946 1.269 -3.572 318 HD22 LEU 43 2HD2 LEU 43 2.752 0.156 -2.217 319 HD23 LEU 43 3HD2 LEU 43 1.487 0.287 -3.440 320 H ALA 44 H ALA 44 1.853 -2.065 -8.409 321 HA ALA 44 HA ALA 44 -0.252 -3.380 -7.217 322 HB1 ALA 44 1HB ALA 44 0.191 -4.468 -9.840 323 HB2 ALA 44 2HB ALA 44 -1.055 -3.348 -9.286 324 HB3 ALA 44 3HB ALA 44 0.506 -2.733 -9.831 325 HA PRO 45 HA PRO 45 1.870 -7.613 -8.243 326 HB2 PRO 45 1HB PRO 45 4.519 -7.540 -8.832 327 HB3 PRO 45 2HB PRO 45 3.257 -7.412 -10.063 328 HG2 PRO 45 1HG PRO 45 4.863 -5.245 -8.764 329 HG3 PRO 45 2HG PRO 45 4.423 -5.441 -10.471 330 HD2 PRO 45 1HD PRO 45 3.111 -3.749 -8.813 331 HD3 PRO 45 2HD PRO 45 2.305 -4.591 -10.152 332 H ILE 46 H ILE 46 4.347 -5.388 -6.949 333 HA ILE 46 HA ILE 46 5.426 -7.094 -5.043 334 HB ILE 46 HB ILE 46 5.136 -4.096 -4.819 335 HG12 ILE 46 1HG1 ILE 46 7.642 -5.438 -5.723 336 HG13 ILE 46 2HG1 ILE 46 6.321 -5.293 -6.877 337 HG21 ILE 46 1HG2 ILE 46 7.494 -4.808 -3.618 338 HG22 ILE 46 2HG2 ILE 46 5.985 -4.445 -2.782 339 HG23 ILE 46 3HG2 ILE 46 6.410 -6.117 -3.147 340 HD11 ILE 46 1HD1 ILE 46 7.043 -3.257 -7.334 341 HD12 ILE 46 2HD1 ILE 46 6.575 -2.772 -5.704 342 HD13 ILE 46 3HD1 ILE 46 8.218 -3.327 -6.022 343 H TRP 47 H TRP 47 2.617 -4.972 -4.842 344 HA TRP 47 HA TRP 47 2.171 -5.375 -2.056 345 HB2 TRP 47 1HB TRP 47 1.312 -3.438 -3.447 346 HB3 TRP 47 2HB TRP 47 0.112 -4.546 -4.105 347 HD1 TRP 47 HD TRP 47 -2.118 -4.564 -2.855 348 HE1 TRP 47 1HE TRP 47 -2.927 -3.873 -0.512 349 HE3 TRP 47 3HE TRP 47 2.379 -3.279 -0.789 350 HZ2 TRP 47 2HZ TRP 47 -1.808 -2.910 1.894 351 HZ3 TRP 47 3HZ TRP 47 2.422 -2.482 1.538 352 HH2 TRP 47 HH TRP 47 0.371 -2.302 2.850 353 H ASP 48 H ASP 48 1.091 -6.973 -4.987 354 HA ASP 48 HA ASP 48 -0.891 -8.585 -3.698 355 HB2 ASP 48 1HB ASP 48 -1.342 -8.370 -5.954 356 HB3 ASP 48 2HB ASP 48 0.354 -8.495 -6.413 357 H LYS 49 H LYS 49 2.523 -8.847 -4.284 358 HA LYS 49 HA LYS 49 2.691 -11.669 -3.806 359 HB2 LYS 49 1HB LYS 49 4.725 -9.458 -3.995 360 HB3 LYS 49 2HB LYS 49 5.185 -11.095 -3.545 361 HG2 LYS 49 1HG LYS 49 4.809 -11.927 -5.634 362 HG3 LYS 49 2HG LYS 49 3.574 -10.725 -6.012 363 HD2 LYS 49 1HD LYS 49 5.426 -10.167 -7.358 364 HD3 LYS 49 2HD LYS 49 5.456 -9.016 -6.021 365 HE2 LYS 49 1HE LYS 49 7.674 -9.696 -6.201 366 HE3 LYS 49 2HE LYS 49 7.045 -10.694 -4.890 367 HZ1 LYS 49 1HZ LYS 49 7.762 -12.434 -6.036 368 HZ2 LYS 49 2HZ LYS 49 8.122 -11.494 -7.395 369 HZ3 LYS 49 3HZ LYS 49 6.564 -12.121 -7.189 370 H LEU 50 H LEU 50 2.716 -8.805 -1.852 371 HA LEU 50 HA LEU 50 3.806 -10.140 0.472 372 HB2 LEU 50 1HB LEU 50 4.420 -7.946 0.545 373 HB3 LEU 50 2HB LEU 50 2.929 -7.392 -0.213 374 HG LEU 50 HG LEU 50 1.812 -7.970 2.029 375 HD11 LEU 50 1HD1 LEU 50 4.558 -8.637 2.596 376 HD12 LEU 50 2HD1 LEU 50 3.108 -8.924 3.557 377 HD13 LEU 50 3HD1 LEU 50 3.967 -7.390 3.693 378 HD21 LEU 50 1HD2 LEU 50 2.017 -5.781 2.684 379 HD22 LEU 50 2HD2 LEU 50 2.564 -5.674 1.010 380 HD23 LEU 50 3HD2 LEU 50 3.743 -5.719 2.322 381 H GLY 51 H GLY 51 0.658 -9.041 -0.690 382 HA2 GLY 51 1HA GLY 51 -0.856 -9.431 1.612 383 HA3 GLY 51 2HA GLY 51 -1.470 -9.585 -0.027 384 H GLU 52 H GLU 52 0.016 -11.775 -0.905 385 HA GLU 52 HA GLU 52 -1.522 -13.910 0.079 386 HB2 GLU 52 1HB GLU 52 -0.414 -15.250 -1.463 387 HB3 GLU 52 2HB GLU 52 -0.272 -13.650 -2.178 388 HG2 GLU 52 1HG GLU 52 1.991 -13.445 -1.376 389 HG3 GLU 52 2HG GLU 52 1.860 -14.983 -0.525 390 H THR 53 H THR 53 1.505 -12.579 1.099 391 HA THR 53 HA THR 53 2.467 -14.849 2.519 392 HB THR 53 HB THR 53 3.124 -11.917 2.864 393 HG1 THR 53 1HG THR 53 3.660 -12.997 0.816 394 HG21 THR 53 1HG2 THR 53 5.044 -12.604 4.129 395 HG22 THR 53 2HG2 THR 53 4.677 -14.307 3.855 396 HG23 THR 53 3HG2 THR 53 3.618 -13.328 4.870 397 H TYR 54 H TYR 54 0.410 -12.123 3.351 398 HA TYR 54 HA TYR 54 0.002 -13.321 6.013 399 HB2 TYR 54 1HB TYR 54 -0.306 -10.407 5.263 400 HB3 TYR 54 2HB TYR 54 -0.488 -11.098 6.872 401 HD1 TYR 54 2HD TYR 54 1.973 -10.465 4.171 402 HD2 TYR 54 1HD TYR 54 1.378 -11.388 8.281 403 HE1 TYR 54 2HE TYR 54 4.367 -10.091 4.595 404 HE2 TYR 54 1HE TYR 54 3.770 -11.016 8.718 405 HH TYR 54 HH TYR 54 5.939 -9.850 6.182 406 H LYS 55 H LYS 55 -1.395 -13.996 3.566 407 HA LYS 55 HA LYS 55 -3.970 -12.734 3.619 408 HB2 LYS 55 1HB LYS 55 -4.548 -14.152 1.843 409 HB3 LYS 55 2HB LYS 55 -2.827 -13.866 1.619 410 HG2 LYS 55 1HG LYS 55 -2.447 -16.043 2.859 411 HG3 LYS 55 2HG LYS 55 -4.179 -16.331 2.670 412 HD2 LYS 55 1HD LYS 55 -4.022 -16.618 0.402 413 HD3 LYS 55 2HD LYS 55 -2.601 -15.580 0.260 414 HE2 LYS 55 1HE LYS 55 -1.759 -17.716 -0.129 415 HE3 LYS 55 2HE LYS 55 -1.380 -17.426 1.568 416 HZ1 LYS 55 1HZ LYS 55 -2.572 -19.185 2.140 417 HZ2 LYS 55 2HZ LYS 55 -2.808 -19.543 0.504 418 HZ3 LYS 55 3HZ LYS 55 -3.940 -18.599 1.334 419 H ASP 56 H ASP 56 -2.533 -15.600 5.021 420 HA ASP 56 HA ASP 56 -5.114 -16.224 6.299 421 HB2 ASP 56 1HB ASP 56 -4.362 -18.048 4.877 422 HB3 ASP 56 2HB ASP 56 -2.791 -18.057 5.674 423 H HIS 57 H HIS 57 -2.944 -14.320 7.110 424 HA HIS 57 HA HIS 57 -1.524 -15.375 9.305 425 HB2 HIS 57 1HB HIS 57 -1.464 -13.016 7.969 426 HB3 HIS 57 2HB HIS 57 -2.301 -12.525 9.439 427 HD1 HIS 57 1HD HIS 57 -0.945 -12.474 11.612 428 HD2 HIS 57 2HD HIS 57 1.221 -13.804 8.325 429 HE1 HIS 57 1HE HIS 57 1.458 -12.497 12.355 430 HE2 HIS 57 2HE HIS 57 2.758 -13.223 10.323 431 H GLU 58 H GLU 58 -1.948 -13.961 11.515 432 HA GLU 58 HA GLU 58 -4.641 -14.798 12.342 433 HB2 GLU 58 1HB GLU 58 -3.639 -14.637 14.675 434 HB3 GLU 58 2HB GLU 58 -3.033 -15.929 13.647 435 HG2 GLU 58 1HG GLU 58 -1.627 -13.291 13.878 436 HG3 GLU 58 2HG GLU 58 -1.337 -14.614 15.006 437 H ASN 59 H ASN 59 -2.315 -12.143 12.589 438 HA ASN 59 HA ASN 59 -4.547 -10.369 13.333 439 HB2 ASN 59 1HB ASN 59 -3.049 -9.050 14.681 440 HB3 ASN 59 2HB ASN 59 -2.897 -10.732 15.181 441 HD21 ASN 59 1HD2 ASN 59 -0.970 -11.729 15.024 442 HD22 ASN 59 2HD2 ASN 59 0.468 -10.981 14.426 443 H ILE 60 H ILE 60 -1.668 -10.853 11.422 444 HA ILE 60 HA ILE 60 -1.743 -8.206 10.264 445 HB ILE 60 HB ILE 60 -0.138 -10.598 9.361 446 HG12 ILE 60 1HG1 ILE 60 0.552 -8.395 11.317 447 HG13 ILE 60 2HG1 ILE 60 0.388 -10.110 11.680 448 HG21 ILE 60 1HG2 ILE 60 -0.096 -9.054 7.618 449 HG22 ILE 60 2HG2 ILE 60 -0.069 -7.674 8.714 450 HG23 ILE 60 3HG2 ILE 60 1.366 -8.682 8.531 451 HD11 ILE 60 1HD1 ILE 60 2.623 -8.633 10.468 452 HD12 ILE 60 2HD1 ILE 60 2.626 -10.058 11.508 453 HD13 ILE 60 3HD1 ILE 60 2.282 -10.223 9.786 454 H VAL 61 H VAL 61 -3.247 -7.691 8.825 455 HA VAL 61 HA VAL 61 -3.943 -9.670 6.756 456 HB VAL 61 HB VAL 61 -5.759 -7.962 8.409 457 HG11 VAL 61 1HG1 VAL 61 -7.533 -8.516 6.634 458 HG12 VAL 61 2HG1 VAL 61 -6.429 -7.176 6.316 459 HG13 VAL 61 3HG1 VAL 61 -6.167 -8.739 5.541 460 HG21 VAL 61 1HG2 VAL 61 -6.199 -10.722 7.300 461 HG22 VAL 61 2HG2 VAL 61 -5.322 -10.432 8.803 462 HG23 VAL 61 3HG2 VAL 61 -7.011 -9.946 8.659 463 H ILE 62 H ILE 62 -3.068 -8.939 4.930 464 HA ILE 62 HA ILE 62 -2.616 -6.149 4.439 465 HB ILE 62 HB ILE 62 -2.338 -8.511 2.576 466 HG12 ILE 62 1HG1 ILE 62 -0.880 -8.576 4.593 467 HG13 ILE 62 2HG1 ILE 62 0.027 -8.419 3.092 468 HG21 ILE 62 1HG2 ILE 62 -2.118 -5.654 2.149 469 HG22 ILE 62 2HG2 ILE 62 -0.624 -6.500 1.751 470 HG23 ILE 62 3HG2 ILE 62 -2.137 -6.972 0.978 471 HD11 ILE 62 1HD1 ILE 62 0.986 -6.984 4.749 472 HD12 ILE 62 2HD1 ILE 62 0.207 -5.988 3.518 473 HD13 ILE 62 3HD1 ILE 62 -0.580 -6.242 5.075 474 H ALA 63 H ALA 63 -3.651 -4.798 3.013 475 HA ALA 63 HA ALA 63 -5.874 -5.782 1.425 476 HB1 ALA 63 1HB ALA 63 -7.236 -5.410 3.223 477 HB2 ALA 63 2HB ALA 63 -6.220 -4.121 3.868 478 HB3 ALA 63 3HB ALA 63 -7.264 -3.810 2.481 479 H LYS 64 H LYS 64 -6.575 -4.308 -0.176 480 HA LYS 64 HA LYS 64 -4.879 -1.924 -0.509 481 HB2 LYS 64 1HB LYS 64 -4.648 -2.368 -2.863 482 HB3 LYS 64 2HB LYS 64 -4.129 -3.795 -1.975 483 HG2 LYS 64 1HG LYS 64 -6.175 -4.931 -2.479 484 HG3 LYS 64 2HG LYS 64 -6.858 -3.473 -3.203 485 HD2 LYS 64 1HD LYS 64 -5.018 -3.542 -4.891 486 HD3 LYS 64 2HD LYS 64 -4.532 -5.101 -4.221 487 HE2 LYS 64 1HE LYS 64 -6.851 -5.923 -4.691 488 HE3 LYS 64 2HE LYS 64 -7.152 -4.407 -5.540 489 HZ1 LYS 64 1HZ LYS 64 -4.851 -6.097 -6.274 490 HZ2 LYS 64 2HZ LYS 64 -5.670 -4.951 -7.209 491 HZ3 LYS 64 3HZ LYS 64 -6.393 -6.445 -6.878 492 H MET 65 H MET 65 -5.825 -0.154 -1.553 493 HA MET 65 HA MET 65 -8.621 -0.341 -2.345 494 HB2 MET 65 1HB MET 65 -8.513 0.188 0.132 495 HB3 MET 65 2HB MET 65 -7.757 1.713 -0.310 496 HG2 MET 65 1HG MET 65 -9.706 2.419 -1.490 497 HG3 MET 65 2HG MET 65 -10.451 0.832 -1.311 498 HE1 MET 65 1HE MET 65 -10.801 4.400 1.237 499 HE2 MET 65 2HE MET 65 -10.223 4.165 -0.412 500 HE3 MET 65 3HE MET 65 -11.924 3.901 -0.028 501 H ASP 66 H ASP 66 -9.278 1.272 -3.761 502 HA ASP 66 HA ASP 66 -7.087 2.788 -4.963 503 HB2 ASP 66 1HB ASP 66 -8.549 1.330 -6.380 504 HB3 ASP 66 2HB ASP 66 -9.899 2.396 -6.002 505 H SER 67 H SER 67 -6.787 4.695 -3.980 506 HA SER 67 HA SER 67 -8.830 6.190 -2.714 507 HB2 SER 67 1HB SER 67 -6.198 6.252 -2.461 508 HB3 SER 67 2HB SER 67 -6.331 7.520 -3.679 509 HG SER 67 HG SER 67 -7.361 7.452 -1.060 510 H THR 68 H THR 68 -7.589 6.110 -5.961 511 HA THR 68 HA THR 68 -8.708 8.617 -6.777 512 HB THR 68 HB THR 68 -7.901 8.172 -8.907 513 HG1 THR 68 1HG THR 68 -8.155 6.283 -9.849 514 HG21 THR 68 1HG2 THR 68 -6.109 6.281 -7.422 515 HG22 THR 68 2HG2 THR 68 -6.153 7.995 -7.006 516 HG23 THR 68 3HG2 THR 68 -5.690 7.493 -8.632 517 H ALA 69 H ALA 69 -9.933 5.452 -6.338 518 HA ALA 69 HA ALA 69 -12.331 6.105 -7.921 519 HB1 ALA 69 1HB ALA 69 -11.127 4.067 -8.620 520 HB2 ALA 69 2HB ALA 69 -11.400 3.383 -7.017 521 HB3 ALA 69 3HB ALA 69 -12.770 3.735 -8.070 522 H ASN 70 H ASN 70 -11.119 5.690 -4.774 523 HA ASN 70 HA ASN 70 -13.827 5.898 -3.691 524 HB2 ASN 70 1HB ASN 70 -11.779 3.976 -2.569 525 HB3 ASN 70 2HB ASN 70 -13.425 4.218 -1.992 526 HD21 ASN 70 1HD2 ASN 70 -11.406 2.672 -4.287 527 HD22 ASN 70 2HD2 ASN 70 -12.635 1.756 -5.084 528 H GLU 71 H GLU 71 -13.986 7.385 -2.126 529 HA GLU 71 HA GLU 71 -11.490 8.370 -0.907 530 HB2 GLU 71 1HB GLU 71 -12.885 9.847 -2.600 531 HB3 GLU 71 2HB GLU 71 -13.873 10.147 -1.178 532 HG2 GLU 71 1HG GLU 71 -11.852 10.917 0.016 533 HG3 GLU 71 2HG GLU 71 -10.933 10.710 -1.474 534 H VAL 72 H VAL 72 -11.523 8.920 1.269 535 HA VAL 72 HA VAL 72 -13.987 8.544 2.779 536 HB VAL 72 HB VAL 72 -12.821 7.043 4.413 537 HG11 VAL 72 1HG1 VAL 72 -13.229 6.024 1.605 538 HG12 VAL 72 2HG1 VAL 72 -13.086 4.999 3.034 539 HG13 VAL 72 3HG1 VAL 72 -14.438 6.123 2.885 540 HG21 VAL 72 1HG2 VAL 72 -10.716 7.210 2.311 541 HG22 VAL 72 2HG2 VAL 72 -10.555 7.197 4.067 542 HG23 VAL 72 3HG2 VAL 72 -10.916 5.702 3.203 543 H GLU 73 H GLU 73 -14.061 9.697 4.665 544 HA GLU 73 HA GLU 73 -12.183 11.815 4.973 545 HB2 GLU 73 1HB GLU 73 -13.546 12.506 6.860 546 HB3 GLU 73 2HB GLU 73 -14.578 12.060 5.508 547 HG2 GLU 73 1HG GLU 73 -14.928 9.849 6.565 548 HG3 GLU 73 2HG GLU 73 -13.998 10.408 7.955 549 H ALA 74 H ALA 74 -12.496 8.651 6.321 550 HA ALA 74 HA ALA 74 -11.071 8.991 8.720 551 HB1 ALA 74 1HB ALA 74 -12.346 6.901 7.476 552 HB2 ALA 74 2HB ALA 74 -10.653 6.408 7.439 553 HB3 ALA 74 3HB ALA 74 -11.424 6.801 8.976 554 H VAL 75 H VAL 75 -10.034 8.802 5.424 555 HA VAL 75 HA VAL 75 -7.305 9.351 6.231 556 HB VAL 75 HB VAL 75 -8.031 6.871 4.678 557 HG11 VAL 75 1HG1 VAL 75 -5.291 8.093 4.990 558 HG12 VAL 75 2HG1 VAL 75 -5.681 6.577 4.174 559 HG13 VAL 75 3HG1 VAL 75 -6.248 8.109 3.509 560 HG21 VAL 75 1HG2 VAL 75 -6.266 6.006 6.416 561 HG22 VAL 75 2HG2 VAL 75 -6.742 7.454 7.303 562 HG23 VAL 75 3HG2 VAL 75 -7.950 6.238 6.885 563 H LYS 76 H LYS 76 -6.899 11.126 5.093 564 HA LYS 76 HA LYS 76 -7.965 11.374 2.374 565 HB2 LYS 76 1HB LYS 76 -6.851 13.387 4.324 566 HB3 LYS 76 2HB LYS 76 -7.177 13.782 2.642 567 HG2 LYS 76 1HG LYS 76 -9.280 12.653 4.462 568 HG3 LYS 76 2HG LYS 76 -8.964 14.384 4.331 569 HD2 LYS 76 1HD LYS 76 -9.570 14.416 2.042 570 HD3 LYS 76 2HD LYS 76 -9.553 12.654 1.940 571 HE2 LYS 76 1HE LYS 76 -11.535 12.455 3.179 572 HE3 LYS 76 2HE LYS 76 -11.428 14.109 3.779 573 HZ1 LYS 76 1HZ LYS 76 -12.597 14.814 2.053 574 HZ2 LYS 76 2HZ LYS 76 -12.825 13.211 1.566 575 HZ3 LYS 76 3HZ LYS 76 -11.525 14.104 0.954 576 H VAL 77 H VAL 77 -6.626 10.473 0.929 577 HA VAL 77 HA VAL 77 -3.734 10.833 1.227 578 HB VAL 77 HB VAL 77 -5.113 9.154 -0.859 579 HG11 VAL 77 1HG1 VAL 77 -2.408 9.819 -0.299 580 HG12 VAL 77 2HG1 VAL 77 -2.638 8.101 0.036 581 HG13 VAL 77 3HG1 VAL 77 -3.044 8.753 -1.552 582 HG21 VAL 77 1HG2 VAL 77 -4.007 7.870 1.568 583 HG22 VAL 77 2HG2 VAL 77 -5.555 8.697 1.735 584 HG23 VAL 77 3HG2 VAL 77 -5.373 7.398 0.557 585 H HIS 78 H HIS 78 -2.629 12.232 0.023 586 HA HIS 78 HA HIS 78 -3.965 13.401 -2.329 587 HB2 HIS 78 1HB HIS 78 -1.827 14.751 -0.683 588 HB3 HIS 78 2HB HIS 78 -2.887 15.480 -1.886 589 HD1 HIS 78 1HD HIS 78 -2.471 15.559 1.551 590 HD2 HIS 78 2HD HIS 78 -5.791 14.904 -0.860 591 HE1 HIS 78 1HE HIS 78 -4.464 16.077 2.996 592 HE2 HIS 78 2HE HIS 78 -6.463 15.591 1.542 593 H SER 79 H SER 79 -1.498 11.403 -1.372 594 HA SER 79 HA SER 79 -0.077 11.836 -3.907 595 HB2 SER 79 1HB SER 79 2.073 11.470 -2.829 596 HB3 SER 79 2HB SER 79 1.248 12.816 -2.044 597 HG SER 79 HG SER 79 1.561 10.164 -1.112 598 H PHE 80 H PHE 80 1.358 9.907 -4.425 599 HA PHE 80 HA PHE 80 0.650 7.380 -3.271 600 HB2 PHE 80 1HB PHE 80 -0.124 7.664 -6.157 601 HB3 PHE 80 2HB PHE 80 -0.615 6.437 -4.993 602 HD1 PHE 80 2HD PHE 80 -1.170 9.865 -6.166 603 HD2 PHE 80 1HD PHE 80 -2.451 6.806 -3.498 604 HE1 PHE 80 2HE PHE 80 -3.241 11.119 -5.728 605 HE2 PHE 80 1HE PHE 80 -4.524 8.055 -3.056 606 HZ PHE 80 HZ PHE 80 -4.921 10.215 -4.171 607 HA PRO 81 HA PRO 81 0.695 5.196 -4.145 608 HB2 PRO 81 1HB PRO 81 2.409 3.374 -3.090 609 HB3 PRO 81 2HB PRO 81 1.967 3.398 -4.801 610 HG2 PRO 81 1HG PRO 81 4.418 4.477 -3.462 611 HG3 PRO 81 2HG PRO 81 4.280 3.566 -4.977 612 HD2 PRO 81 1HD PRO 81 4.578 6.256 -4.918 613 HD3 PRO 81 2HD PRO 81 3.654 5.426 -6.186 614 H THR 82 H THR 82 -0.165 5.007 -2.121 615 HA THR 82 HA THR 82 1.408 6.125 0.109 616 HB THR 82 HB THR 82 -1.504 6.531 -0.555 617 HG1 THR 82 1HG THR 82 -0.688 8.774 -0.056 618 HG21 THR 82 1HG2 THR 82 -1.613 6.050 1.743 619 HG22 THR 82 2HG2 THR 82 -1.514 7.809 1.667 620 HG23 THR 82 3HG2 THR 82 -0.083 6.862 2.073 621 H LEU 83 H LEU 83 1.637 4.849 1.828 622 HA LEU 83 HA LEU 83 -0.202 2.565 2.125 623 HB2 LEU 83 1HB LEU 83 2.700 2.623 2.927 624 HB3 LEU 83 2HB LEU 83 1.612 1.237 2.960 625 HG LEU 83 HG LEU 83 2.526 2.633 0.447 626 HD11 LEU 83 1HD1 LEU 83 3.758 0.543 2.095 627 HD12 LEU 83 2HD1 LEU 83 4.474 1.615 0.893 628 HD13 LEU 83 3HD1 LEU 83 3.627 0.156 0.379 629 HD21 LEU 83 1HD2 LEU 83 1.698 0.449 -0.551 630 HD22 LEU 83 2HD2 LEU 83 0.467 1.580 0.011 631 HD23 LEU 83 3HD2 LEU 83 0.886 0.174 0.990 632 H LYS 84 H LYS 84 -1.096 2.229 4.085 633 HA LYS 84 HA LYS 84 -0.074 3.748 6.379 634 HB2 LYS 84 1HB LYS 84 -3.010 3.572 5.688 635 HB3 LYS 84 2HB LYS 84 -2.282 4.484 7.005 636 HG2 LYS 84 1HG LYS 84 -0.993 5.636 4.999 637 HG3 LYS 84 2HG LYS 84 -2.423 5.106 4.110 638 HD2 LYS 84 1HD LYS 84 -3.865 6.292 5.645 639 HD3 LYS 84 2HD LYS 84 -2.484 6.731 6.653 640 HE2 LYS 84 1HE LYS 84 -1.604 7.769 4.397 641 HE3 LYS 84 2HE LYS 84 -3.320 7.790 3.997 642 HZ1 LYS 84 1HZ LYS 84 -3.784 9.277 5.671 643 HZ2 LYS 84 2HZ LYS 84 -2.264 9.818 5.163 644 HZ3 LYS 84 3HZ LYS 84 -2.404 8.887 6.569 645 H PHE 85 H PHE 85 0.173 2.505 8.112 646 HA PHE 85 HA PHE 85 -0.981 -0.173 8.102 647 HB2 PHE 85 1HB PHE 85 1.375 -0.090 8.566 648 HB3 PHE 85 2HB PHE 85 1.140 1.123 9.819 649 HD1 PHE 85 2HD PHE 85 0.694 -2.420 8.948 650 HD2 PHE 85 1HD PHE 85 0.482 0.514 12.024 651 HE1 PHE 85 2HE PHE 85 0.513 -4.204 10.632 652 HE2 PHE 85 1HE PHE 85 0.301 -1.266 13.714 653 HZ PHE 85 HZ PHE 85 0.316 -3.628 13.018 654 H PHE 86 H PHE 86 -2.624 -0.784 9.356 655 HA PHE 86 HA PHE 86 -3.618 1.138 11.347 656 HB2 PHE 86 1HB PHE 86 -5.087 -1.105 9.944 657 HB3 PHE 86 2HB PHE 86 -5.798 0.028 11.089 658 HD1 PHE 86 1HD PHE 86 -3.700 2.136 9.608 659 HD2 PHE 86 2HD PHE 86 -7.069 -0.239 8.550 660 HE1 PHE 86 1HE PHE 86 -4.205 3.682 7.762 661 HE2 PHE 86 2HE PHE 86 -7.580 1.302 6.701 662 HZ PHE 86 HZ PHE 86 -6.147 3.266 6.305 663 HA PRO 87 HA PRO 87 -2.092 -1.936 14.254 664 HB2 PRO 87 1HB PRO 87 -2.448 -0.371 16.443 665 HB3 PRO 87 2HB PRO 87 -1.064 -0.202 15.357 666 HG2 PRO 87 1HG PRO 87 -3.591 1.399 15.468 667 HG3 PRO 87 2HG PRO 87 -1.921 1.957 15.260 668 HD2 PRO 87 1HD PRO 87 -3.641 1.705 13.184 669 HD3 PRO 87 2HD PRO 87 -1.894 1.440 13.014 670 H ALA 88 H ALA 88 -3.007 -2.886 16.275 671 HA ALA 88 HA ALA 88 -5.781 -3.494 15.893 672 HB1 ALA 88 1HB ALA 88 -4.322 -5.255 16.596 673 HB2 ALA 88 2HB ALA 88 -3.816 -4.338 18.015 674 HB3 ALA 88 3HB ALA 88 -5.469 -4.940 17.897 675 H SER 89 H SER 89 -5.726 -0.830 16.305 676 HA SER 89 HA SER 89 -6.448 -0.391 19.114 677 HB2 SER 89 1HB SER 89 -5.488 1.360 16.906 678 HB3 SER 89 2HB SER 89 -6.576 2.080 18.093 679 HG SER 89 HG SER 89 -4.347 2.261 18.670 680 H ALA 90 H ALA 90 -8.339 1.052 19.513 681 HA ALA 90 HA ALA 90 -10.556 0.256 17.757 682 HB1 ALA 90 1HB ALA 90 -11.398 -0.421 19.713 683 HB2 ALA 90 2HB ALA 90 -10.255 0.547 20.645 684 HB3 ALA 90 3HB ALA 90 -11.723 1.288 20.008 685 H ASP 91 H ASP 91 -8.587 2.845 18.302 686 HA ASP 91 HA ASP 91 -10.677 4.851 17.851 687 HB2 ASP 91 1HB ASP 91 -8.901 5.159 19.644 688 HB3 ASP 91 2HB ASP 91 -7.742 5.368 18.334 689 H ARG 92 H ARG 92 -10.116 3.076 15.740 690 HA ARG 92 HA ARG 92 -9.311 2.945 13.580 691 HB2 ARG 92 1HB ARG 92 -10.438 5.750 13.670 692 HB3 ARG 92 2HB ARG 92 -10.160 4.810 12.209 693 HG2 ARG 92 1HG ARG 92 -11.719 3.072 13.379 694 HG3 ARG 92 2HG ARG 92 -12.244 4.476 14.310 695 HD2 ARG 92 1HD ARG 92 -12.086 4.727 11.351 696 HD3 ARG 92 2HD ARG 92 -13.413 3.789 12.037 697 HE ARG 92 HE ARG 92 -13.113 6.630 12.082 698 HH11 ARG 92 2HH1 ARG 92 -14.439 3.908 13.799 699 HH12 ARG 92 1HH1 ARG 92 -15.673 4.837 14.583 700 HH21 ARG 92 2HH2 ARG 92 -14.733 7.865 13.108 701 HH22 ARG 92 1HH2 ARG 92 -15.840 7.088 14.188 702 H THR 93 H THR 93 -7.214 3.630 15.335 703 HA THR 93 HA THR 93 -5.735 5.884 14.541 704 HB THR 93 HB THR 93 -4.662 3.274 15.628 705 HG1 THR 93 1HG THR 93 -5.454 3.908 17.479 706 HG21 THR 93 1HG2 THR 93 -3.039 4.942 14.582 707 HG22 THR 93 2HG2 THR 93 -2.714 4.451 16.244 708 HG23 THR 93 3HG2 THR 93 -3.458 6.016 15.916 709 H VAL 94 H VAL 94 -4.149 6.197 13.026 710 HA VAL 94 HA VAL 94 -3.629 3.991 11.147 711 HB VAL 94 HB VAL 94 -4.438 6.813 10.507 712 HG11 VAL 94 1HG1 VAL 94 -3.826 5.884 8.076 713 HG12 VAL 94 2HG1 VAL 94 -2.692 6.812 9.059 714 HG13 VAL 94 3HG1 VAL 94 -2.586 5.052 9.015 715 HG21 VAL 94 1HG2 VAL 94 -5.532 4.997 8.702 716 HG22 VAL 94 2HG2 VAL 94 -5.597 4.178 10.263 717 HG23 VAL 94 3HG2 VAL 94 -6.350 5.760 10.065 718 H ILE 95 H ILE 95 -1.549 3.707 10.595 719 HA ILE 95 HA ILE 95 0.392 5.683 11.590 720 HB ILE 95 HB ILE 95 0.718 2.727 11.073 721 HG12 ILE 95 1HG1 ILE 95 0.681 4.423 13.571 722 HG13 ILE 95 2HG1 ILE 95 -0.403 3.102 13.149 723 HG21 ILE 95 1HG2 ILE 95 3.014 3.112 12.062 724 HG22 ILE 95 2HG2 ILE 95 2.766 3.706 10.421 725 HG23 ILE 95 3HG2 ILE 95 2.747 4.832 11.778 726 HD11 ILE 95 1HD1 ILE 95 1.668 1.618 13.225 727 HD12 ILE 95 2HD1 ILE 95 2.450 2.971 14.043 728 HD13 ILE 95 3HD1 ILE 95 1.027 2.212 14.756 729 H ASP 96 H ASP 96 2.088 6.364 10.293 730 HA ASP 96 HA ASP 96 1.601 6.118 7.430 731 HB2 ASP 96 1HB ASP 96 3.474 7.900 9.002 732 HB3 ASP 96 2HB ASP 96 3.308 7.931 7.248 733 H TYR 97 H TYR 97 2.826 4.968 6.071 734 HA TYR 97 HA TYR 97 5.152 3.570 7.186 735 HB2 TYR 97 1HB TYR 97 3.355 2.172 6.237 736 HB3 TYR 97 2HB TYR 97 3.557 2.974 4.684 737 HD1 TYR 97 1HD TYR 97 5.990 2.868 3.685 738 HD2 TYR 97 2HD TYR 97 4.477 0.185 6.620 739 HE1 TYR 97 1HE TYR 97 7.701 1.218 3.050 740 HE2 TYR 97 2HE TYR 97 6.184 -1.472 5.994 741 HH TYR 97 HH TYR 97 8.874 -0.795 4.310 742 H ASN 98 H ASN 98 7.026 4.543 6.801 743 HA ASN 98 HA ASN 98 7.524 5.585 4.095 744 HB2 ASN 98 1HB ASN 98 8.333 6.855 6.718 745 HB3 ASN 98 2HB ASN 98 8.933 7.369 5.144 746 HD21 ASN 98 1HD2 ASN 98 6.911 8.249 7.439 747 HD22 ASN 98 2HD2 ASN 98 5.658 9.000 6.515 748 H GLY 99 H GLY 99 8.400 3.351 3.899 749 HA2 GLY 99 1HA GLY 99 11.193 3.300 4.857 750 HA3 GLY 99 2HA GLY 99 10.188 1.858 4.897 751 H GLU 100 H GLU 100 11.685 0.759 3.567 752 HA GLU 100 HA GLU 100 12.500 1.703 1.030 753 HB2 GLU 100 1HB GLU 100 13.102 -0.697 0.612 754 HB3 GLU 100 2HB GLU 100 13.789 -0.014 2.079 755 HG2 GLU 100 1HG GLU 100 12.023 -1.094 3.394 756 HG3 GLU 100 2HG GLU 100 11.379 -1.809 1.917 757 H ARG 101 H ARG 101 9.557 0.401 2.147 758 HA ARG 101 HA ARG 101 7.640 -0.295 1.128 759 HB2 ARG 101 1HB ARG 101 7.796 2.043 0.309 760 HB3 ARG 101 2HB ARG 101 8.652 1.464 -1.113 761 HG2 ARG 101 1HG ARG 101 6.763 0.440 -1.991 762 HG3 ARG 101 2HG ARG 101 5.940 0.406 -0.430 763 HD2 ARG 101 1HD ARG 101 4.966 2.087 -1.908 764 HD3 ARG 101 2HD ARG 101 5.704 2.831 -0.490 765 HE ARG 101 HE ARG 101 7.247 3.850 -1.856 766 HH11 ARG 101 2HH1 ARG 101 5.508 1.427 -3.652 767 HH12 ARG 101 1HH1 ARG 101 6.143 1.921 -5.186 768 HH21 ARG 101 2HH2 ARG 101 8.090 4.511 -3.870 769 HH22 ARG 101 1HH2 ARG 101 7.612 3.675 -5.309 770 H THR 102 H THR 102 9.441 -2.249 0.962 771 HA THR 102 HA THR 102 9.100 -3.286 -1.775 772 HB THR 102 HB THR 102 11.219 -4.562 -1.466 773 HG1 THR 102 1HG THR 102 11.003 -3.554 1.022 774 HG21 THR 102 1HG2 THR 102 10.873 -1.899 -2.193 775 HG22 THR 102 2HG2 THR 102 12.270 -2.915 -2.550 776 HG23 THR 102 3HG2 THR 102 12.270 -1.886 -1.118 777 H LEU 103 H LEU 103 8.603 -5.467 -1.982 778 HA LEU 103 HA LEU 103 6.855 -6.692 -0.403 779 HB2 LEU 103 1HB LEU 103 7.552 -7.667 -2.488 780 HB3 LEU 103 2HB LEU 103 9.146 -8.032 -1.829 781 HG LEU 103 HG LEU 103 8.133 -9.676 -0.314 782 HD11 LEU 103 1HD1 LEU 103 5.660 -10.245 -1.239 783 HD12 LEU 103 2HD1 LEU 103 5.660 -8.487 -1.370 784 HD13 LEU 103 3HD1 LEU 103 5.982 -9.255 0.184 785 HD21 LEU 103 1HD2 LEU 103 8.619 -9.939 -2.996 786 HD22 LEU 103 2HD2 LEU 103 6.987 -10.589 -2.841 787 HD23 LEU 103 3HD2 LEU 103 8.301 -11.266 -1.878 788 H ASP 104 H ASP 104 10.360 -7.227 -0.026 789 HA ASP 104 HA ASP 104 10.087 -8.714 2.380 790 HB2 ASP 104 1HB ASP 104 12.081 -8.517 0.646 791 HB3 ASP 104 2HB ASP 104 12.617 -7.257 1.754 792 H GLY 105 H GLY 105 10.730 -5.318 1.660 793 HA2 GLY 105 1HA GLY 105 11.411 -4.447 4.226 794 HA3 GLY 105 2HA GLY 105 10.666 -3.448 2.988 795 H PHE 106 H PHE 106 8.217 -4.754 2.716 796 HA PHE 106 HA PHE 106 6.672 -3.545 4.664 797 HB2 PHE 106 1HB PHE 106 6.038 -5.931 2.919 798 HB3 PHE 106 2HB PHE 106 4.840 -5.079 3.888 799 HD1 PHE 106 2HD PHE 106 5.686 -2.279 3.485 800 HD2 PHE 106 1HD PHE 106 5.390 -5.510 0.730 801 HE1 PHE 106 2HE PHE 106 5.340 -0.678 1.650 802 HE2 PHE 106 1HE PHE 106 5.045 -3.914 -1.110 803 HZ PHE 106 HZ PHE 106 5.019 -1.495 -0.651 804 H LYS 107 H LYS 107 7.835 -6.887 4.516 805 HA LYS 107 HA LYS 107 6.497 -7.844 6.791 806 HB2 LYS 107 1HB LYS 107 9.218 -8.822 5.974 807 HB3 LYS 107 2HB LYS 107 7.876 -9.737 6.648 808 HG2 LYS 107 1HG LYS 107 6.688 -9.020 4.419 809 HG3 LYS 107 2HG LYS 107 8.351 -8.841 3.853 810 HD2 LYS 107 1HD LYS 107 8.747 -11.188 4.740 811 HD3 LYS 107 2HD LYS 107 6.994 -11.314 4.905 812 HE2 LYS 107 1HE LYS 107 6.847 -10.680 2.465 813 HE3 LYS 107 2HE LYS 107 8.595 -10.895 2.389 814 HZ1 LYS 107 1HZ LYS 107 7.913 -12.962 1.788 815 HZ2 LYS 107 2HZ LYS 107 6.487 -12.899 2.696 816 HZ3 LYS 107 3HZ LYS 107 7.966 -13.192 3.463 817 H LYS 108 H LYS 108 9.435 -5.998 6.419 818 HA LYS 108 HA LYS 108 10.507 -6.431 8.998 819 HB2 LYS 108 1HB LYS 108 10.871 -3.918 7.373 820 HB3 LYS 108 2HB LYS 108 11.987 -4.633 8.529 821 HG2 LYS 108 1HG LYS 108 11.228 -5.806 5.860 822 HG3 LYS 108 2HG LYS 108 12.734 -4.965 6.235 823 HD2 LYS 108 1HD LYS 108 13.432 -7.118 6.525 824 HD3 LYS 108 2HD LYS 108 12.838 -6.793 8.155 825 HE2 LYS 108 1HE LYS 108 10.759 -7.893 7.676 826 HE3 LYS 108 2HE LYS 108 11.191 -8.067 5.975 827 HZ1 LYS 108 1HZ LYS 108 13.101 -9.455 6.749 828 HZ2 LYS 108 2HZ LYS 108 11.578 -10.140 7.013 829 HZ3 LYS 108 3HZ LYS 108 12.422 -9.436 8.299 830 H PHE 109 H PHE 109 8.355 -3.938 7.690 831 HA PHE 109 HA PHE 109 8.191 -2.457 10.117 832 HB2 PHE 109 1HB PHE 109 7.720 -1.473 7.892 833 HB3 PHE 109 2HB PHE 109 6.280 -2.480 7.771 834 HD1 PHE 109 2HD PHE 109 7.828 0.340 9.556 835 HD2 PHE 109 1HD PHE 109 4.273 -1.908 8.904 836 HE1 PHE 109 2HE PHE 109 6.522 2.080 10.703 837 HE2 PHE 109 1HE PHE 109 2.961 -0.170 10.050 838 HZ PHE 109 HZ PHE 109 4.085 1.827 10.952 839 H LEU 110 H LEU 110 6.161 -4.921 8.592 840 HA LEU 110 HA LEU 110 4.084 -4.831 10.516 841 HB2 LEU 110 1HB LEU 110 4.922 -7.055 8.662 842 HB3 LEU 110 2HB LEU 110 3.415 -7.010 9.575 843 HG LEU 110 HG LEU 110 4.084 -4.847 7.609 844 HD11 LEU 110 1HD1 LEU 110 4.174 -6.460 6.038 845 HD12 LEU 110 2HD1 LEU 110 2.419 -6.415 6.197 846 HD13 LEU 110 3HD1 LEU 110 3.350 -7.646 7.050 847 HD21 LEU 110 1HD2 LEU 110 2.100 -4.090 8.242 848 HD22 LEU 110 2HD2 LEU 110 1.924 -5.444 9.358 849 HD23 LEU 110 3HD2 LEU 110 1.352 -5.591 7.695 850 H GLU 111 H GLU 111 6.547 -7.364 9.995 851 HA GLU 111 HA GLU 111 6.168 -8.936 12.155 852 HB2 GLU 111 1HB GLU 111 8.729 -8.021 10.871 853 HB3 GLU 111 2HB GLU 111 8.743 -9.156 12.214 854 HG2 GLU 111 1HG GLU 111 7.025 -10.460 10.733 855 HG3 GLU 111 2HG GLU 111 7.756 -9.522 9.431 856 H SER 112 H SER 112 7.765 -5.791 12.158 857 HA SER 112 HA SER 112 8.640 -5.871 14.848 858 HB2 SER 112 1HB SER 112 8.067 -3.521 13.028 859 HB3 SER 112 2HB SER 112 8.860 -3.394 14.599 860 HG SER 112 HG SER 112 10.645 -4.080 13.730 861 H GLY 113 H GLY 113 5.663 -4.789 13.308 862 HA2 GLY 113 1HA GLY 113 3.602 -5.035 14.592 863 HA3 GLY 113 2HA GLY 113 4.494 -4.482 16.002 864 H GLY 114 H GLY 114 4.928 -2.965 12.895 865 HA2 GLY 114 1HA GLY 114 4.406 -0.865 12.129 866 HA3 GLY 114 2HA GLY 114 2.953 -0.966 13.112 867 H GLN 115 H GLN 115 6.338 -1.023 14.157 868 HA GLN 115 HA GLN 115 5.820 0.910 16.197 869 HB2 GLN 115 1HB GLN 115 8.250 0.732 16.651 870 HB3 GLN 115 2HB GLN 115 7.448 -0.832 16.594 871 HG2 GLN 115 1HG GLN 115 8.408 -1.392 14.552 872 HG3 GLN 115 2HG GLN 115 8.821 0.282 14.182 873 HE21 GLN 115 1HE2 GLN 115 10.856 -1.099 13.739 874 HE22 GLN 115 2HE2 GLN 115 12.001 -1.154 15.032 875 H SER 116 H SER 116 7.598 2.734 16.411 876 HA SER 116 HA SER 116 8.528 4.001 14.066 877 HB2 SER 116 1HB SER 116 5.943 4.297 13.981 878 HB3 SER 116 2HB SER 116 6.203 5.491 15.252 879 HG SER 116 HG SER 116 6.785 5.616 12.567 880 H GLY 117 H GLY 117 10.125 5.336 14.640 881 HA2 GLY 117 1HA GLY 117 9.972 6.969 17.010 882 HA3 GLY 117 2HA GLY 117 11.112 5.639 17.154 883 HA PRO 118 HA PRO 118 13.461 9.198 15.426 884 HB2 PRO 118 1HB PRO 118 15.710 8.686 16.858 885 HB3 PRO 118 2HB PRO 118 14.360 9.633 17.495 886 HG2 PRO 118 1HG PRO 118 15.035 6.753 17.953 887 HG3 PRO 118 2HG PRO 118 14.492 7.974 19.119 888 HD2 PRO 118 1HD PRO 118 12.820 6.125 18.061 889 HD3 PRO 118 2HD PRO 118 12.280 7.756 18.507 890 H SER 119 H SER 119 13.868 5.790 15.542 891 HA SER 119 HA SER 119 16.239 5.732 13.891 892 HB2 SER 119 1HB SER 119 14.491 3.706 15.201 893 HB3 SER 119 2HB SER 119 15.421 3.191 13.795 894 HG SER 119 HG SER 119 16.760 4.653 15.751 895 H SER 120 H SER 120 16.317 4.767 11.779 896 HA SER 120 HA SER 120 14.025 5.539 10.164 897 HB2 SER 120 1HB SER 120 16.550 6.023 9.671 898 HB3 SER 120 2HB SER 120 16.550 4.380 9.030 899 HG SER 120 HG SER 120 14.681 6.357 8.238 900 H GLY 121 H GLY 121 16.143 2.673 10.413 901 HA2 GLY 121 1HA GLY 121 15.417 0.439 10.531 902 HA3 GLY 121 2HA GLY 121 13.808 0.959 10.052 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -13.793 -13.935 9.634 2 HA2 GLY 1 1HA GLY 1 -14.160 -11.989 8.225 3 HA3 GLY 1 2HA GLY 1 -12.485 -11.539 8.511 4 H SER 2 H SER 2 -12.243 -11.387 6.212 5 HA SER 2 HA SER 2 -12.717 -13.456 4.403 6 HB2 SER 2 1HB SER 2 -10.807 -11.134 4.412 7 HB3 SER 2 2HB SER 2 -10.791 -12.306 3.094 8 HG SER 2 HG SER 2 -12.992 -11.823 2.737 9 H SER 3 H SER 3 -12.070 -15.467 5.015 10 HA SER 3 HA SER 3 -9.366 -15.924 5.959 11 HB2 SER 3 1HB SER 3 -10.107 -18.306 6.110 12 HB3 SER 3 2HB SER 3 -11.137 -17.196 7.013 13 HG SER 3 HG SER 3 -11.846 -17.713 4.374 14 H GLY 4 H GLY 4 -8.203 -15.275 4.078 15 HA2 GLY 4 1HA GLY 4 -7.358 -15.508 1.926 16 HA3 GLY 4 2HA GLY 4 -7.130 -17.155 2.496 17 H SER 5 H SER 5 -10.079 -15.363 1.638 18 HA SER 5 HA SER 5 -11.165 -17.597 0.245 19 HB2 SER 5 1HB SER 5 -12.024 -14.699 0.366 20 HB3 SER 5 2HB SER 5 -12.953 -15.969 -0.429 21 HG SER 5 HG SER 5 -12.639 -15.422 2.251 22 H SER 6 H SER 6 -9.510 -18.063 -1.296 23 HA SER 6 HA SER 6 -8.340 -17.847 -3.260 24 HB2 SER 6 1HB SER 6 -11.190 -17.147 -3.905 25 HB3 SER 6 2HB SER 6 -9.965 -17.142 -5.174 26 HG SER 6 HG SER 6 -9.477 -19.355 -4.246 27 H GLY 7 H GLY 7 -7.781 -15.679 -1.666 28 HA2 GLY 7 1HA GLY 7 -7.114 -13.703 -3.674 29 HA3 GLY 7 2HA GLY 7 -8.212 -13.128 -2.427 30 HA PRO 8 HA PRO 8 -3.607 -13.682 -0.941 31 HB2 PRO 8 1HB PRO 8 -2.141 -11.903 -2.375 32 HB3 PRO 8 2HB PRO 8 -2.321 -13.598 -2.843 33 HG2 PRO 8 1HG PRO 8 -3.765 -11.185 -3.871 34 HG3 PRO 8 2HG PRO 8 -3.099 -12.559 -4.773 35 HD2 PRO 8 1HD PRO 8 -5.732 -12.344 -4.180 36 HD3 PRO 8 2HD PRO 8 -4.904 -13.910 -4.293 37 H VAL 9 H VAL 9 -4.792 -10.602 -2.300 38 HA VAL 9 HA VAL 9 -4.405 -9.388 0.360 39 HB VAL 9 HB VAL 9 -2.834 -8.254 -0.913 40 HG11 VAL 9 1HG1 VAL 9 -3.592 -9.331 -3.060 41 HG12 VAL 9 2HG1 VAL 9 -4.742 -8.003 -3.228 42 HG13 VAL 9 3HG1 VAL 9 -3.009 -7.674 -3.206 43 HG21 VAL 9 1HG2 VAL 9 -3.527 -6.127 -0.680 44 HG22 VAL 9 2HG2 VAL 9 -4.933 -6.361 -1.719 45 HG23 VAL 9 3HG2 VAL 9 -4.991 -6.865 -0.030 46 H LYS 10 H LYS 10 -6.108 -8.385 1.254 47 HA LYS 10 HA LYS 10 -8.696 -8.726 0.179 48 HB2 LYS 10 1HB LYS 10 -7.527 -7.396 2.562 49 HB3 LYS 10 2HB LYS 10 -9.134 -6.874 2.074 50 HG2 LYS 10 1HG LYS 10 -9.556 -9.488 2.002 51 HG3 LYS 10 2HG LYS 10 -8.230 -9.476 3.167 52 HD2 LYS 10 1HD LYS 10 -9.987 -9.221 4.601 53 HD3 LYS 10 2HD LYS 10 -9.674 -7.524 4.230 54 HE2 LYS 10 1HE LYS 10 -11.643 -9.196 2.688 55 HE3 LYS 10 2HE LYS 10 -12.092 -8.280 4.125 56 HZ1 LYS 10 1HZ LYS 10 -11.440 -7.337 1.452 57 HZ2 LYS 10 2HZ LYS 10 -10.864 -6.394 2.731 58 HZ3 LYS 10 3HZ LYS 10 -12.520 -6.705 2.590 59 H VAL 11 H VAL 11 -10.184 -7.202 -0.602 60 HA VAL 11 HA VAL 11 -8.950 -4.764 -1.710 61 HB VAL 11 HB VAL 11 -11.312 -6.287 -2.818 62 HG11 VAL 11 1HG1 VAL 11 -9.731 -4.183 -4.248 63 HG12 VAL 11 2HG1 VAL 11 -11.358 -4.776 -4.586 64 HG13 VAL 11 3HG1 VAL 11 -11.067 -3.745 -3.185 65 HG21 VAL 11 1HG2 VAL 11 -8.431 -6.607 -3.179 66 HG22 VAL 11 2HG2 VAL 11 -9.752 -7.707 -3.573 67 HG23 VAL 11 3HG2 VAL 11 -9.318 -6.414 -4.692 68 H LEU 12 H LEU 12 -9.470 -3.264 -0.183 69 HA LEU 12 HA LEU 12 -12.133 -3.127 0.932 70 HB2 LEU 12 1HB LEU 12 -10.004 -1.038 1.232 71 HB3 LEU 12 2HB LEU 12 -11.320 -1.434 2.335 72 HG LEU 12 HG LEU 12 -9.043 -3.325 1.796 73 HD11 LEU 12 1HD1 LEU 12 -9.043 -0.848 3.317 74 HD12 LEU 12 2HD1 LEU 12 -7.700 -1.884 2.836 75 HD13 LEU 12 3HD1 LEU 12 -8.619 -2.253 4.295 76 HD21 LEU 12 1HD2 LEU 12 -10.325 -3.333 4.402 77 HD22 LEU 12 2HD2 LEU 12 -10.029 -4.663 3.282 78 HD23 LEU 12 3HD2 LEU 12 -11.460 -3.648 3.090 79 H VAL 13 H VAL 13 -13.595 -1.413 0.663 80 HA VAL 13 HA VAL 13 -13.105 0.318 -1.669 81 HB VAL 13 HB VAL 13 -15.623 0.132 -2.082 82 HG11 VAL 13 1HG1 VAL 13 -14.052 -2.391 -2.562 83 HG12 VAL 13 2HG1 VAL 13 -15.342 -1.710 -3.555 84 HG13 VAL 13 3HG1 VAL 13 -13.780 -0.896 -3.456 85 HG21 VAL 13 1HG2 VAL 13 -15.829 -2.560 -1.142 86 HG22 VAL 13 2HG2 VAL 13 -15.437 -1.499 0.211 87 HG23 VAL 13 3HG2 VAL 13 -16.860 -1.175 -0.779 88 H GLY 14 H GLY 14 -14.666 2.196 -1.738 89 HA2 GLY 14 1HA GLY 14 -14.496 3.627 0.711 90 HA3 GLY 14 2HA GLY 14 -15.319 4.165 -0.746 91 H LYS 15 H LYS 15 -16.554 1.203 -0.038 92 HA LYS 15 HA LYS 15 -18.886 2.408 1.263 93 HB2 LYS 15 1HB LYS 15 -19.180 1.145 -0.873 94 HB3 LYS 15 2HB LYS 15 -18.640 -0.308 -0.041 95 HG2 LYS 15 1HG LYS 15 -20.543 -0.070 1.521 96 HG3 LYS 15 2HG LYS 15 -21.106 1.308 0.571 97 HD2 LYS 15 1HD LYS 15 -22.346 -0.391 -0.356 98 HD3 LYS 15 2HD LYS 15 -20.937 -0.396 -1.419 99 HE2 LYS 15 1HE LYS 15 -19.953 -2.199 -0.049 100 HE3 LYS 15 2HE LYS 15 -21.415 -2.220 0.937 101 HZ1 LYS 15 1HZ LYS 15 -21.494 -2.640 -1.990 102 HZ2 LYS 15 2HZ LYS 15 -22.682 -3.012 -0.846 103 HZ3 LYS 15 3HZ LYS 15 -21.256 -3.919 -0.909 104 H ASN 16 H ASN 16 -16.732 -0.403 1.530 105 HA ASN 16 HA ASN 16 -17.473 -0.581 4.374 106 HB2 ASN 16 1HB ASN 16 -17.301 -2.999 4.275 107 HB3 ASN 16 2HB ASN 16 -18.456 -2.450 3.063 108 HD21 ASN 16 1HD2 ASN 16 -15.181 -3.593 3.571 109 HD22 ASN 16 2HD2 ASN 16 -14.936 -4.179 1.964 110 H PHE 17 H PHE 17 -15.293 0.877 3.198 111 HA PHE 17 HA PHE 17 -12.861 -0.544 3.339 112 HB2 PHE 17 1HB PHE 17 -12.536 1.446 2.256 113 HB3 PHE 17 2HB PHE 17 -13.663 2.317 3.290 114 HD1 PHE 17 2HD PHE 17 -10.318 0.683 3.401 115 HD2 PHE 17 1HD PHE 17 -12.839 3.787 4.859 116 HE1 PHE 17 2HE PHE 17 -8.426 1.622 4.662 117 HE2 PHE 17 1HE PHE 17 -10.951 4.732 6.122 118 HZ PHE 17 HZ PHE 17 -8.741 3.649 6.025 119 H GLU 18 H GLU 18 -14.094 1.878 5.654 120 HA GLU 18 HA GLU 18 -12.296 1.295 7.699 121 HB2 GLU 18 1HB GLU 18 -15.126 2.247 8.130 122 HB3 GLU 18 2HB GLU 18 -13.726 2.549 9.149 123 HG2 GLU 18 1HG GLU 18 -13.816 4.539 8.083 124 HG3 GLU 18 2HG GLU 18 -12.816 3.663 6.926 125 H ASP 19 H ASP 19 -15.143 -0.375 6.680 126 HA ASP 19 HA ASP 19 -15.749 -1.764 9.056 127 HB2 ASP 19 1HB ASP 19 -16.386 -2.100 6.169 128 HB3 ASP 19 2HB ASP 19 -16.618 -3.498 7.216 129 H VAL 20 H VAL 20 -13.718 -2.637 6.275 130 HA VAL 20 HA VAL 20 -12.803 -5.037 7.656 131 HB VAL 20 HB VAL 20 -12.261 -3.983 4.880 132 HG11 VAL 20 1HG1 VAL 20 -11.220 -6.314 4.593 133 HG12 VAL 20 2HG1 VAL 20 -10.265 -5.074 5.408 134 HG13 VAL 20 3HG1 VAL 20 -11.087 -6.319 6.351 135 HG21 VAL 20 1HG2 VAL 20 -14.129 -5.934 6.068 136 HG22 VAL 20 2HG2 VAL 20 -14.301 -4.926 4.630 137 HG23 VAL 20 3HG2 VAL 20 -13.360 -6.416 4.555 138 H ALA 21 H ALA 21 -11.359 -2.153 6.138 139 HA ALA 21 HA ALA 21 -8.722 -2.547 6.830 140 HB1 ALA 21 1HB ALA 21 -8.459 -0.111 6.686 141 HB2 ALA 21 2HB ALA 21 -9.439 -0.748 5.365 142 HB3 ALA 21 3HB ALA 21 -10.213 0.073 6.721 143 H PHE 22 H PHE 22 -10.960 -0.447 8.656 144 HA PHE 22 HA PHE 22 -9.238 -0.472 10.956 145 HB2 PHE 22 1HB PHE 22 -11.911 0.752 10.335 146 HB3 PHE 22 2HB PHE 22 -11.293 0.742 11.984 147 HD1 PHE 22 2HD PHE 22 -8.518 1.320 11.777 148 HD2 PHE 22 1HD PHE 22 -11.730 2.854 9.444 149 HE1 PHE 22 2HE PHE 22 -7.198 3.339 11.294 150 HE2 PHE 22 1HE PHE 22 -10.415 4.875 8.957 151 HZ PHE 22 HZ PHE 22 -8.146 5.120 9.883 152 H ASP 23 H ASP 23 -9.098 -2.577 11.688 153 HA ASP 23 HA ASP 23 -11.566 -3.649 12.886 154 HB2 ASP 23 1HB ASP 23 -10.789 -4.918 10.839 155 HB3 ASP 23 2HB ASP 23 -9.347 -5.356 11.751 156 H GLU 24 H GLU 24 -11.442 -4.202 14.981 157 HA GLU 24 HA GLU 24 -9.105 -3.511 16.467 158 HB2 GLU 24 1HB GLU 24 -11.166 -3.102 17.547 159 HB3 GLU 24 2HB GLU 24 -11.758 -4.722 17.207 160 HG2 GLU 24 1HG GLU 24 -10.540 -5.676 18.907 161 HG3 GLU 24 2HG GLU 24 -9.347 -4.378 18.923 162 H LYS 25 H LYS 25 -7.823 -4.876 17.776 163 HA LYS 25 HA LYS 25 -6.485 -6.684 18.125 164 HB2 LYS 25 1HB LYS 25 -9.160 -8.020 17.735 165 HB3 LYS 25 2HB LYS 25 -7.714 -8.918 18.175 166 HG2 LYS 25 1HG LYS 25 -8.876 -6.644 19.770 167 HG3 LYS 25 2HG LYS 25 -9.134 -8.357 20.107 168 HD2 LYS 25 1HD LYS 25 -6.691 -8.635 20.373 169 HD3 LYS 25 2HD LYS 25 -6.492 -6.898 20.128 170 HE2 LYS 25 1HE LYS 25 -6.549 -6.944 22.405 171 HE3 LYS 25 2HE LYS 25 -8.275 -6.791 22.082 172 HZ1 LYS 25 1HZ LYS 25 -6.974 -9.427 22.409 173 HZ2 LYS 25 2HZ LYS 25 -8.619 -9.051 22.506 174 HZ3 LYS 25 3HZ LYS 25 -7.565 -8.554 23.732 175 H LYS 26 H LYS 26 -6.644 -5.645 15.435 176 HA LYS 26 HA LYS 26 -5.407 -7.862 14.067 177 HB2 LYS 26 1HB LYS 26 -7.591 -8.393 13.359 178 HB3 LYS 26 2HB LYS 26 -8.026 -6.702 13.149 179 HG2 LYS 26 1HG LYS 26 -7.773 -7.410 10.976 180 HG3 LYS 26 2HG LYS 26 -6.185 -6.721 11.321 181 HD2 LYS 26 1HD LYS 26 -5.755 -8.778 10.259 182 HD3 LYS 26 2HD LYS 26 -5.478 -9.075 11.977 183 HE2 LYS 26 1HE LYS 26 -7.812 -9.958 12.116 184 HE3 LYS 26 2HE LYS 26 -7.915 -9.814 10.362 185 HZ1 LYS 26 1HZ LYS 26 -5.789 -11.385 11.695 186 HZ2 LYS 26 2HZ LYS 26 -6.266 -11.437 10.073 187 HZ3 LYS 26 3HZ LYS 26 -7.281 -12.063 11.273 188 H ASN 27 H ASN 27 -3.674 -7.080 13.076 189 HA ASN 27 HA ASN 27 -3.469 -4.218 12.596 190 HB2 ASN 27 1HB ASN 27 -1.371 -6.365 12.222 191 HB3 ASN 27 2HB ASN 27 -1.101 -4.625 12.249 192 HD21 ASN 27 1HD2 ASN 27 -1.629 -7.468 14.114 193 HD22 ASN 27 2HD2 ASN 27 -1.381 -6.756 15.669 194 H VAL 28 H VAL 28 -4.743 -3.856 10.794 195 HA VAL 28 HA VAL 28 -4.205 -5.368 8.359 196 HB VAL 28 HB VAL 28 -6.194 -3.142 8.825 197 HG11 VAL 28 1HG1 VAL 28 -5.272 -4.413 6.445 198 HG12 VAL 28 2HG1 VAL 28 -6.955 -4.865 6.719 199 HG13 VAL 28 3HG1 VAL 28 -6.502 -3.163 6.627 200 HG21 VAL 28 1HG2 VAL 28 -6.430 -6.130 9.022 201 HG22 VAL 28 2HG2 VAL 28 -6.882 -4.909 10.212 202 HG23 VAL 28 3HG2 VAL 28 -7.831 -5.098 8.737 203 H PHE 29 H PHE 29 -2.983 -4.655 6.730 204 HA PHE 29 HA PHE 29 -1.971 -1.896 6.881 205 HB2 PHE 29 1HB PHE 29 -0.271 -3.695 7.078 206 HB3 PHE 29 2HB PHE 29 -0.737 -4.278 5.484 207 HD1 PHE 29 1HD PHE 29 -0.765 -0.705 6.022 208 HD2 PHE 29 2HD PHE 29 1.626 -4.010 4.805 209 HE1 PHE 29 1HE PHE 29 0.844 0.844 4.990 210 HE2 PHE 29 2HE PHE 29 3.239 -2.467 3.771 211 HZ PHE 29 HZ PHE 29 2.850 -0.036 3.863 212 H VAL 30 H VAL 30 -3.343 -0.719 5.650 213 HA VAL 30 HA VAL 30 -4.342 -1.708 3.128 214 HB VAL 30 HB VAL 30 -4.591 1.085 4.246 215 HG11 VAL 30 1HG1 VAL 30 -6.648 1.102 2.829 216 HG12 VAL 30 2HG1 VAL 30 -5.139 1.008 1.918 217 HG13 VAL 30 3HG1 VAL 30 -6.125 -0.437 2.146 218 HG21 VAL 30 1HG2 VAL 30 -6.177 -1.402 4.780 219 HG22 VAL 30 2HG2 VAL 30 -5.532 -0.229 5.928 220 HG23 VAL 30 3HG2 VAL 30 -6.912 0.195 4.915 221 H GLU 31 H GLU 31 -4.083 -0.507 1.112 222 HA GLU 31 HA GLU 31 -1.621 1.067 0.923 223 HB2 GLU 31 1HB GLU 31 -0.721 -0.989 0.306 224 HB3 GLU 31 2HB GLU 31 -2.202 -1.514 -0.482 225 HG2 GLU 31 1HG GLU 31 -1.772 0.224 -2.235 226 HG3 GLU 31 2HG GLU 31 -0.193 0.478 -1.494 227 H PHE 32 H PHE 32 -2.443 2.952 0.246 228 HA PHE 32 HA PHE 32 -4.659 3.072 -1.594 229 HB2 PHE 32 1HB PHE 32 -2.925 5.247 -0.405 230 HB3 PHE 32 2HB PHE 32 -4.344 5.537 -1.407 231 HD1 PHE 32 1HD PHE 32 -6.588 4.906 -0.578 232 HD2 PHE 32 2HD PHE 32 -3.124 4.691 1.886 233 HE1 PHE 32 1HE PHE 32 -8.020 4.819 1.422 234 HE2 PHE 32 2HE PHE 32 -4.550 4.603 3.889 235 HZ PHE 32 HZ PHE 32 -7.001 4.666 3.659 236 H TYR 33 H TYR 33 -4.053 2.279 -3.564 237 HA TYR 33 HA TYR 33 -1.706 3.470 -4.863 238 HB2 TYR 33 1HB TYR 33 -1.765 1.618 -6.402 239 HB3 TYR 33 2HB TYR 33 -1.882 0.979 -4.766 240 HD1 TYR 33 2HD TYR 33 -3.857 1.776 -7.799 241 HD2 TYR 33 1HD TYR 33 -3.733 -0.329 -4.103 242 HE1 TYR 33 2HE TYR 33 -5.906 0.568 -8.425 243 HE2 TYR 33 1HE TYR 33 -5.781 -1.544 -4.719 244 HH TYR 33 HH TYR 33 -6.952 -1.751 -7.754 245 H ALA 34 H ALA 34 -1.994 3.738 -7.312 246 HA ALA 34 HA ALA 34 -4.648 4.870 -7.902 247 HB1 ALA 34 1HB ALA 34 -2.221 6.165 -9.039 248 HB2 ALA 34 2HB ALA 34 -3.800 6.856 -8.664 249 HB3 ALA 34 3HB ALA 34 -2.661 6.504 -7.365 250 HA PRO 35 HA PRO 35 -4.410 2.306 -11.491 251 HB2 PRO 35 1HB PRO 35 -6.436 3.444 -12.893 252 HB3 PRO 35 2HB PRO 35 -6.706 2.387 -11.502 253 HG2 PRO 35 1HG PRO 35 -6.730 5.377 -11.642 254 HG3 PRO 35 2HG PRO 35 -7.843 4.288 -10.793 255 HD2 PRO 35 1HD PRO 35 -5.844 5.605 -9.526 256 HD3 PRO 35 2HD PRO 35 -6.404 3.999 -9.015 257 H TRP 36 H TRP 36 -3.634 5.579 -11.371 258 HA TRP 36 HA TRP 36 -2.739 5.542 -14.179 259 HB2 TRP 36 1HB TRP 36 -2.727 8.167 -13.677 260 HB3 TRP 36 2HB TRP 36 -4.160 7.329 -14.265 261 HD1 TRP 36 HD TRP 36 -6.210 7.085 -12.603 262 HE1 TRP 36 1HE TRP 36 -6.776 8.200 -10.354 263 HE3 TRP 36 3HE TRP 36 -1.626 9.062 -11.503 264 HZ2 TRP 36 2HZ TRP 36 -5.453 9.718 -8.375 265 HZ3 TRP 36 3HZ TRP 36 -1.361 10.333 -9.413 266 HH2 TRP 36 HH TRP 36 -3.236 10.653 -7.883 267 H CYS 37 H CYS 37 -1.966 6.538 -10.880 268 HA CYS 37 HA CYS 37 0.498 7.709 -11.240 269 HB2 CYS 37 1HB CYS 37 -0.708 7.524 -9.070 270 HB3 CYS 37 2HB CYS 37 -0.242 5.830 -8.988 271 HG CYS 37 HG CYS 37 1.700 8.589 -8.595 272 H GLY 38 H GLY 38 2.273 7.025 -12.226 273 HA2 GLY 38 1HA GLY 38 2.722 4.484 -13.221 274 HA3 GLY 38 2HA GLY 38 3.989 5.664 -12.918 275 H HIS 39 H HIS 39 4.615 5.835 -10.523 276 HA HIS 39 HA HIS 39 5.905 3.634 -9.657 277 HB2 HIS 39 1HB HIS 39 4.649 5.865 -8.079 278 HB3 HIS 39 2HB HIS 39 5.552 4.585 -7.276 279 HD1 HIS 39 1HD HIS 39 7.873 4.307 -9.309 280 HD2 HIS 39 2HD HIS 39 6.430 7.921 -7.852 281 HE1 HIS 39 1HE HIS 39 9.762 5.945 -9.581 282 HE2 HIS 39 2HE HIS 39 8.895 8.103 -8.614 283 H CYS 40 H CYS 40 2.546 4.450 -8.875 284 HA CYS 40 HA CYS 40 2.023 2.355 -7.108 285 HB2 CYS 40 1HB CYS 40 0.231 3.875 -9.000 286 HB3 CYS 40 2HB CYS 40 -0.387 2.662 -7.886 287 HG CYS 40 HG CYS 40 1.526 5.029 -6.468 288 H LYS 41 H LYS 41 1.785 2.491 -10.635 289 HA LYS 41 HA LYS 41 0.584 0.027 -11.100 290 HB2 LYS 41 1HB LYS 41 2.635 1.519 -12.744 291 HB3 LYS 41 2HB LYS 41 1.746 0.116 -13.322 292 HG2 LYS 41 1HG LYS 41 -0.366 1.388 -12.893 293 HG3 LYS 41 2HG LYS 41 0.634 2.806 -12.567 294 HD2 LYS 41 1HD LYS 41 1.361 2.955 -14.768 295 HD3 LYS 41 2HD LYS 41 0.971 1.268 -15.114 296 HE2 LYS 41 1HE LYS 41 -1.215 3.174 -14.401 297 HE3 LYS 41 2HE LYS 41 -0.542 3.196 -16.030 298 HZ1 LYS 41 1HZ LYS 41 -1.170 0.556 -15.080 299 HZ2 LYS 41 2HZ LYS 41 -1.562 1.298 -16.548 300 HZ3 LYS 41 3HZ LYS 41 -2.523 1.566 -15.182 301 H GLN 42 H GLN 42 3.779 0.767 -10.031 302 HA GLN 42 HA GLN 42 4.831 -1.852 -10.709 303 HB2 GLN 42 1HB GLN 42 6.114 0.347 -9.083 304 HB3 GLN 42 2HB GLN 42 6.918 -1.061 -9.764 305 HG2 GLN 42 1HG GLN 42 5.630 1.162 -11.333 306 HG3 GLN 42 2HG GLN 42 7.359 0.947 -11.066 307 HE21 GLN 42 1HE2 GLN 42 7.610 -1.765 -11.418 308 HE22 GLN 42 2HE2 GLN 42 7.256 -2.168 -13.060 309 H LEU 43 H LEU 43 3.289 -0.290 -8.067 310 HA LEU 43 HA LEU 43 4.254 -2.144 -6.069 311 HB2 LEU 43 1HB LEU 43 3.567 0.317 -5.735 312 HB3 LEU 43 2HB LEU 43 1.915 -0.298 -5.739 313 HG LEU 43 HG LEU 43 2.554 -1.772 -3.815 314 HD11 LEU 43 1HD1 LEU 43 5.147 -0.693 -4.438 315 HD12 LEU 43 2HD1 LEU 43 4.710 -2.007 -3.347 316 HD13 LEU 43 3HD1 LEU 43 4.709 -0.342 -2.765 317 HD21 LEU 43 1HD2 LEU 43 2.619 0.134 -2.171 318 HD22 LEU 43 2HD2 LEU 43 1.303 0.186 -3.344 319 HD23 LEU 43 3HD2 LEU 43 2.715 1.222 -3.555 320 H ALA 44 H ALA 44 1.747 -2.039 -8.374 321 HA ALA 44 HA ALA 44 -0.355 -3.386 -7.221 322 HB1 ALA 44 1HB ALA 44 0.060 -4.464 -9.833 323 HB2 ALA 44 2HB ALA 44 -1.125 -3.272 -9.298 324 HB3 ALA 44 3HB ALA 44 0.470 -2.749 -9.841 325 HA PRO 45 HA PRO 45 1.789 -7.600 -8.275 326 HB2 PRO 45 1HB PRO 45 4.438 -7.513 -8.859 327 HB3 PRO 45 2HB PRO 45 3.178 -7.379 -10.091 328 HG2 PRO 45 1HG PRO 45 4.775 -5.218 -8.772 329 HG3 PRO 45 2HG PRO 45 4.337 -5.401 -10.480 330 HD2 PRO 45 1HD PRO 45 3.018 -3.727 -8.810 331 HD3 PRO 45 2HD PRO 45 2.216 -4.560 -10.158 332 H ILE 46 H ILE 46 4.256 -5.378 -6.959 333 HA ILE 46 HA ILE 46 5.343 -7.094 -5.067 334 HB ILE 46 HB ILE 46 5.032 -4.099 -4.832 335 HG12 ILE 46 1HG1 ILE 46 7.558 -5.434 -5.693 336 HG13 ILE 46 2HG1 ILE 46 6.256 -5.289 -6.869 337 HG21 ILE 46 1HG2 ILE 46 5.871 -4.414 -2.789 338 HG22 ILE 46 2HG2 ILE 46 6.251 -6.104 -3.118 339 HG23 ILE 46 3HG2 ILE 46 7.381 -4.837 -3.596 340 HD11 ILE 46 1HD1 ILE 46 6.476 -2.769 -5.698 341 HD12 ILE 46 2HD1 ILE 46 8.131 -3.317 -5.967 342 HD13 ILE 46 3HD1 ILE 46 6.993 -3.255 -7.313 343 H TRP 47 H TRP 47 2.504 -5.018 -4.862 344 HA TRP 47 HA TRP 47 2.057 -5.425 -2.078 345 HB2 TRP 47 1HB TRP 47 1.157 -3.514 -3.483 346 HB3 TRP 47 2HB TRP 47 -0.018 -4.654 -4.132 347 HD1 TRP 47 HD TRP 47 -2.263 -4.577 -2.926 348 HE1 TRP 47 1HE TRP 47 -3.080 -3.943 -0.569 349 HE3 TRP 47 3HE TRP 47 2.245 -3.505 -0.765 350 HZ2 TRP 47 2HZ TRP 47 -1.962 -3.099 1.881 351 HZ3 TRP 47 3HZ TRP 47 2.284 -2.791 1.589 352 HH2 TRP 47 HH TRP 47 0.223 -2.592 2.883 353 H ASP 48 H ASP 48 0.982 -7.036 -5.010 354 HA ASP 48 HA ASP 48 -0.951 -8.695 -3.718 355 HB2 ASP 48 1HB ASP 48 -1.433 -8.560 -5.957 356 HB3 ASP 48 2HB ASP 48 0.263 -8.528 -6.430 357 H LYS 49 H LYS 49 2.469 -8.876 -4.268 358 HA LYS 49 HA LYS 49 2.692 -11.697 -3.777 359 HB2 LYS 49 1HB LYS 49 4.685 -9.450 -3.988 360 HB3 LYS 49 2HB LYS 49 5.174 -11.076 -3.529 361 HG2 LYS 49 1HG LYS 49 4.802 -11.929 -5.612 362 HG3 LYS 49 2HG LYS 49 3.552 -10.743 -5.996 363 HD2 LYS 49 1HD LYS 49 5.399 -10.175 -7.347 364 HD3 LYS 49 2HD LYS 49 5.412 -9.012 -6.019 365 HE2 LYS 49 1HE LYS 49 7.105 -10.376 -4.869 366 HE3 LYS 49 2HE LYS 49 7.107 -11.500 -6.227 367 HZ1 LYS 49 1HZ LYS 49 8.770 -9.416 -5.988 368 HZ2 LYS 49 2HZ LYS 49 7.550 -8.734 -6.940 369 HZ3 LYS 49 3HZ LYS 49 8.351 -10.129 -7.464 370 H LEU 50 H LEU 50 2.786 -8.784 -1.862 371 HA LEU 50 HA LEU 50 3.856 -10.094 0.476 372 HB2 LEU 50 1HB LEU 50 4.464 -7.898 0.513 373 HB3 LEU 50 2HB LEU 50 2.964 -7.357 -0.237 374 HG LEU 50 HG LEU 50 1.858 -7.883 2.007 375 HD11 LEU 50 1HD1 LEU 50 4.625 -8.553 2.584 376 HD12 LEU 50 2HD1 LEU 50 3.157 -8.928 3.485 377 HD13 LEU 50 3HD1 LEU 50 3.960 -7.375 3.716 378 HD21 LEU 50 1HD2 LEU 50 3.840 -5.687 2.329 379 HD22 LEU 50 2HD2 LEU 50 2.104 -5.699 2.640 380 HD23 LEU 50 3HD2 LEU 50 2.703 -5.608 0.983 381 H GLY 51 H GLY 51 0.700 -9.078 -0.717 382 HA2 GLY 51 1HA GLY 51 -0.798 -9.430 1.616 383 HA3 GLY 51 2HA GLY 51 -1.424 -9.590 -0.018 384 H GLU 52 H GLU 52 -0.004 -11.779 -0.928 385 HA GLU 52 HA GLU 52 -1.512 -13.911 0.078 386 HB2 GLU 52 1HB GLU 52 -0.286 -15.308 -1.388 387 HB3 GLU 52 2HB GLU 52 -0.387 -13.746 -2.187 388 HG2 GLU 52 1HG GLU 52 1.845 -13.297 -1.898 389 HG3 GLU 52 2HG GLU 52 1.990 -14.366 -0.504 390 H THR 53 H THR 53 1.591 -12.643 1.015 391 HA THR 53 HA THR 53 2.536 -14.885 2.454 392 HB THR 53 HB THR 53 3.169 -11.954 2.853 393 HG1 THR 53 1HG THR 53 4.345 -12.219 1.124 394 HG21 THR 53 1HG2 THR 53 4.530 -14.447 3.873 395 HG22 THR 53 2HG2 THR 53 3.805 -13.155 4.830 396 HG23 THR 53 3HG2 THR 53 5.265 -12.845 3.891 397 H TYR 54 H TYR 54 0.608 -12.072 3.394 398 HA TYR 54 HA TYR 54 0.168 -13.331 6.020 399 HB2 TYR 54 1HB TYR 54 -0.143 -10.416 5.274 400 HB3 TYR 54 2HB TYR 54 -0.346 -11.106 6.881 401 HD1 TYR 54 2HD TYR 54 2.151 -10.503 4.204 402 HD2 TYR 54 1HD TYR 54 1.499 -11.381 8.316 403 HE1 TYR 54 2HE TYR 54 4.541 -10.137 4.656 404 HE2 TYR 54 1HE TYR 54 3.886 -11.017 8.779 405 HH TYR 54 HH TYR 54 6.141 -11.197 7.070 406 H LYS 55 H LYS 55 -1.254 -14.059 3.634 407 HA LYS 55 HA LYS 55 -3.831 -12.794 3.680 408 HB2 LYS 55 1HB LYS 55 -4.448 -14.331 1.977 409 HB3 LYS 55 2HB LYS 55 -2.773 -13.895 1.664 410 HG2 LYS 55 1HG LYS 55 -2.124 -16.007 2.881 411 HG3 LYS 55 2HG LYS 55 -3.831 -16.451 2.834 412 HD2 LYS 55 1HD LYS 55 -3.825 -16.773 0.565 413 HD3 LYS 55 2HD LYS 55 -2.517 -15.619 0.296 414 HE2 LYS 55 1HE LYS 55 -0.880 -17.155 0.798 415 HE3 LYS 55 2HE LYS 55 -1.950 -18.124 1.810 416 HZ1 LYS 55 1HZ LYS 55 -3.089 -18.874 -0.194 417 HZ2 LYS 55 2HZ LYS 55 -1.444 -19.263 -0.248 418 HZ3 LYS 55 3HZ LYS 55 -2.035 -17.964 -1.155 419 H ASP 56 H ASP 56 -2.364 -15.605 5.147 420 HA ASP 56 HA ASP 56 -4.934 -16.218 6.454 421 HB2 ASP 56 1HB ASP 56 -4.450 -18.483 6.429 422 HB3 ASP 56 2HB ASP 56 -3.738 -17.961 4.905 423 H HIS 57 H HIS 57 -2.845 -14.270 7.241 424 HA HIS 57 HA HIS 57 -1.386 -15.311 9.443 425 HB2 HIS 57 1HB HIS 57 -1.251 -13.008 8.035 426 HB3 HIS 57 2HB HIS 57 -2.102 -12.439 9.468 427 HD1 HIS 57 1HD HIS 57 -0.786 -12.337 11.665 428 HD2 HIS 57 2HD HIS 57 1.410 -13.832 8.470 429 HE1 HIS 57 1HE HIS 57 1.602 -12.380 12.452 430 HE2 HIS 57 2HE HIS 57 2.923 -13.208 10.473 431 H GLU 58 H GLU 58 -1.773 -13.815 11.606 432 HA GLU 58 HA GLU 58 -4.470 -14.588 12.474 433 HB2 GLU 58 1HB GLU 58 -3.576 -14.540 14.750 434 HB3 GLU 58 2HB GLU 58 -2.625 -15.603 13.722 435 HG2 GLU 58 1HG GLU 58 -1.150 -13.458 13.408 436 HG3 GLU 58 2HG GLU 58 -1.901 -12.986 14.932 437 H ASN 59 H ASN 59 -2.109 -11.948 12.782 438 HA ASN 59 HA ASN 59 -4.357 -10.129 13.349 439 HB2 ASN 59 1HB ASN 59 -2.879 -8.767 14.679 440 HB3 ASN 59 2HB ASN 59 -2.752 -10.430 15.246 441 HD21 ASN 59 1HD2 ASN 59 -0.831 -11.448 15.168 442 HD22 ASN 59 2HD2 ASN 59 0.627 -10.734 14.576 443 H ILE 60 H ILE 60 -1.555 -10.778 11.424 444 HA ILE 60 HA ILE 60 -1.507 -8.147 10.214 445 HB ILE 60 HB ILE 60 -0.002 -10.639 9.410 446 HG12 ILE 60 1HG1 ILE 60 0.907 -8.299 11.099 447 HG13 ILE 60 2HG1 ILE 60 0.494 -9.892 11.723 448 HG21 ILE 60 1HG2 ILE 60 1.542 -8.727 8.492 449 HG22 ILE 60 2HG2 ILE 60 0.162 -9.300 7.556 450 HG23 ILE 60 3HG2 ILE 60 0.037 -7.808 8.487 451 HD11 ILE 60 1HD1 ILE 60 2.762 -10.060 11.601 452 HD12 ILE 60 2HD1 ILE 60 2.320 -10.673 10.008 453 HD13 ILE 60 3HD1 ILE 60 2.877 -9.010 10.189 454 H VAL 61 H VAL 61 -3.017 -7.613 8.786 455 HA VAL 61 HA VAL 61 -3.771 -9.594 6.742 456 HB VAL 61 HB VAL 61 -5.564 -7.867 8.407 457 HG11 VAL 61 1HG1 VAL 61 -6.479 -7.124 6.471 458 HG12 VAL 61 2HG1 VAL 61 -5.866 -8.485 5.529 459 HG13 VAL 61 3HG1 VAL 61 -7.295 -8.685 6.543 460 HG21 VAL 61 1HG2 VAL 61 -6.843 -9.865 8.648 461 HG22 VAL 61 2HG2 VAL 61 -5.933 -10.673 7.371 462 HG23 VAL 61 3HG2 VAL 61 -5.151 -10.291 8.905 463 H ILE 62 H ILE 62 -3.009 -8.876 4.868 464 HA ILE 62 HA ILE 62 -2.542 -6.073 4.389 465 HB ILE 62 HB ILE 62 -2.266 -8.418 2.505 466 HG12 ILE 62 1HG1 ILE 62 -0.809 -8.570 4.497 467 HG13 ILE 62 2HG1 ILE 62 0.115 -8.318 3.020 468 HG21 ILE 62 1HG2 ILE 62 -0.934 -6.948 1.128 469 HG22 ILE 62 2HG2 ILE 62 -2.526 -6.236 1.383 470 HG23 ILE 62 3HG2 ILE 62 -1.135 -5.632 2.284 471 HD11 ILE 62 1HD1 ILE 62 0.355 -5.959 3.568 472 HD12 ILE 62 2HD1 ILE 62 -0.585 -6.202 5.041 473 HD13 ILE 62 3HD1 ILE 62 0.984 -6.986 4.855 474 H ALA 63 H ALA 63 -3.596 -4.739 2.957 475 HA ALA 63 HA ALA 63 -5.821 -5.749 1.391 476 HB1 ALA 63 1HB ALA 63 -6.385 -3.537 3.342 477 HB2 ALA 63 2HB ALA 63 -7.527 -4.497 2.400 478 HB3 ALA 63 3HB ALA 63 -6.657 -5.233 3.746 479 H LYS 64 H LYS 64 -6.551 -4.284 -0.206 480 HA LYS 64 HA LYS 64 -4.834 -1.918 -0.581 481 HB2 LYS 64 1HB LYS 64 -4.794 -2.341 -2.968 482 HB3 LYS 64 2HB LYS 64 -4.194 -3.753 -2.109 483 HG2 LYS 64 1HG LYS 64 -6.236 -4.931 -2.467 484 HG3 LYS 64 2HG LYS 64 -7.019 -3.485 -3.108 485 HD2 LYS 64 1HD LYS 64 -5.348 -3.487 -4.960 486 HD3 LYS 64 2HD LYS 64 -4.748 -5.032 -4.353 487 HE2 LYS 64 1HE LYS 64 -7.197 -5.809 -4.553 488 HE3 LYS 64 2HE LYS 64 -7.410 -4.389 -5.575 489 HZ1 LYS 64 1HZ LYS 64 -6.195 -6.890 -6.194 490 HZ2 LYS 64 2HZ LYS 64 -5.143 -5.605 -6.519 491 HZ3 LYS 64 3HZ LYS 64 -6.676 -5.644 -7.234 492 H MET 65 H MET 65 -5.777 -0.116 -1.590 493 HA MET 65 HA MET 65 -8.604 -0.198 -2.251 494 HB2 MET 65 1HB MET 65 -8.343 0.251 0.256 495 HB3 MET 65 2HB MET 65 -7.656 1.802 -0.207 496 HG2 MET 65 1HG MET 65 -9.695 2.451 -1.284 497 HG3 MET 65 2HG MET 65 -10.385 0.849 -1.034 498 HE1 MET 65 1HE MET 65 -10.002 4.210 -0.128 499 HE2 MET 65 2HE MET 65 -11.691 4.024 0.345 500 HE3 MET 65 3HE MET 65 -10.476 4.440 1.555 501 H ASP 66 H ASP 66 -8.985 1.047 -3.964 502 HA ASP 66 HA ASP 66 -6.884 2.752 -4.977 503 HB2 ASP 66 1HB ASP 66 -8.169 1.273 -6.485 504 HB3 ASP 66 2HB ASP 66 -9.631 2.181 -6.110 505 H SER 67 H SER 67 -6.742 4.560 -3.710 506 HA SER 67 HA SER 67 -8.834 6.020 -2.611 507 HB2 SER 67 1HB SER 67 -6.234 6.219 -2.309 508 HB3 SER 67 2HB SER 67 -6.371 7.427 -3.586 509 HG SER 67 HG SER 67 -7.485 7.442 -0.998 510 H THR 68 H THR 68 -7.536 6.034 -5.848 511 HA THR 68 HA THR 68 -8.758 8.467 -6.690 512 HB THR 68 HB THR 68 -7.911 8.045 -8.788 513 HG1 THR 68 1HG THR 68 -7.848 5.239 -8.431 514 HG21 THR 68 1HG2 THR 68 -5.727 7.316 -8.525 515 HG22 THR 68 2HG2 THR 68 -6.182 6.026 -7.413 516 HG23 THR 68 3HG2 THR 68 -6.182 7.702 -6.867 517 H ALA 69 H ALA 69 -9.968 5.362 -6.069 518 HA ALA 69 HA ALA 69 -12.363 5.889 -7.703 519 HB1 ALA 69 1HB ALA 69 -11.028 3.343 -6.879 520 HB2 ALA 69 2HB ALA 69 -12.749 3.361 -7.269 521 HB3 ALA 69 3HB ALA 69 -11.565 3.860 -8.478 522 H ASN 70 H ASN 70 -11.135 5.531 -4.524 523 HA ASN 70 HA ASN 70 -13.879 5.629 -3.460 524 HB2 ASN 70 1HB ASN 70 -12.607 4.563 -1.366 525 HB3 ASN 70 2HB ASN 70 -13.310 3.570 -2.639 526 HD21 ASN 70 1HD2 ASN 70 -12.038 2.178 -3.646 527 HD22 ASN 70 2HD2 ASN 70 -10.312 2.153 -3.567 528 H GLU 71 H GLU 71 -14.303 7.166 -1.956 529 HA GLU 71 HA GLU 71 -12.045 8.853 -1.095 530 HB2 GLU 71 1HB GLU 71 -13.865 9.744 -2.789 531 HB3 GLU 71 2HB GLU 71 -14.807 9.968 -1.322 532 HG2 GLU 71 1HG GLU 71 -13.798 12.019 -1.585 533 HG3 GLU 71 2HG GLU 71 -12.718 11.210 -0.450 534 H VAL 72 H VAL 72 -11.733 8.911 1.023 535 HA VAL 72 HA VAL 72 -14.036 8.597 2.819 536 HB VAL 72 HB VAL 72 -12.583 7.218 4.340 537 HG11 VAL 72 1HG1 VAL 72 -12.975 5.804 1.727 538 HG12 VAL 72 2HG1 VAL 72 -13.227 5.203 3.366 539 HG13 VAL 72 3HG1 VAL 72 -14.352 6.371 2.671 540 HG21 VAL 72 1HG2 VAL 72 -10.395 7.483 3.684 541 HG22 VAL 72 2HG2 VAL 72 -10.782 5.935 2.933 542 HG23 VAL 72 3HG2 VAL 72 -10.786 7.410 1.966 543 H GLU 73 H GLU 73 -13.945 9.767 4.702 544 HA GLU 73 HA GLU 73 -12.006 11.911 4.762 545 HB2 GLU 73 1HB GLU 73 -13.365 12.830 6.561 546 HB3 GLU 73 2HB GLU 73 -14.382 12.362 5.205 547 HG2 GLU 73 1HG GLU 73 -14.726 10.165 6.489 548 HG3 GLU 73 2HG GLU 73 -14.091 11.047 7.876 549 H ALA 74 H ALA 74 -12.440 8.860 6.254 550 HA ALA 74 HA ALA 74 -11.060 9.344 8.687 551 HB1 ALA 74 1HB ALA 74 -10.883 6.624 7.611 552 HB2 ALA 74 2HB ALA 74 -11.524 7.200 9.151 553 HB3 ALA 74 3HB ALA 74 -12.522 7.271 7.699 554 H VAL 75 H VAL 75 -10.003 9.126 5.478 555 HA VAL 75 HA VAL 75 -7.229 9.183 6.346 556 HB VAL 75 HB VAL 75 -8.350 7.034 4.572 557 HG11 VAL 75 1HG1 VAL 75 -5.784 8.433 4.308 558 HG12 VAL 75 2HG1 VAL 75 -5.666 6.673 4.371 559 HG13 VAL 75 3HG1 VAL 75 -6.667 7.448 3.142 560 HG21 VAL 75 1HG2 VAL 75 -6.844 7.194 7.119 561 HG22 VAL 75 2HG2 VAL 75 -8.125 6.086 6.627 562 HG23 VAL 75 3HG2 VAL 75 -6.478 5.843 6.046 563 H LYS 76 H LYS 76 -6.338 10.863 5.366 564 HA LYS 76 HA LYS 76 -7.407 11.728 2.770 565 HB2 LYS 76 1HB LYS 76 -5.933 13.181 4.958 566 HB3 LYS 76 2HB LYS 76 -6.097 13.861 3.345 567 HG2 LYS 76 1HG LYS 76 -8.493 12.963 4.901 568 HG3 LYS 76 2HG LYS 76 -7.783 14.562 5.139 569 HD2 LYS 76 1HD LYS 76 -8.341 15.271 3.012 570 HD3 LYS 76 2HD LYS 76 -8.422 13.627 2.373 571 HE2 LYS 76 1HE LYS 76 -10.454 13.276 3.799 572 HE3 LYS 76 2HE LYS 76 -10.407 14.996 4.183 573 HZ1 LYS 76 1HZ LYS 76 -11.417 15.453 2.282 574 HZ2 LYS 76 2HZ LYS 76 -11.598 13.797 1.993 575 HZ3 LYS 76 3HZ LYS 76 -10.249 14.619 1.385 576 H VAL 77 H VAL 77 -6.284 11.050 1.073 577 HA VAL 77 HA VAL 77 -3.359 10.798 1.325 578 HB VAL 77 HB VAL 77 -5.048 9.459 -0.780 579 HG11 VAL 77 1HG1 VAL 77 -2.245 9.692 -0.290 580 HG12 VAL 77 2HG1 VAL 77 -2.726 8.003 -0.113 581 HG13 VAL 77 3HG1 VAL 77 -3.077 8.869 -1.610 582 HG21 VAL 77 1HG2 VAL 77 -4.029 7.822 1.441 583 HG22 VAL 77 2HG2 VAL 77 -5.353 8.912 1.852 584 HG23 VAL 77 3HG2 VAL 77 -5.557 7.724 0.565 585 H HIS 78 H HIS 78 -2.257 12.364 0.367 586 HA HIS 78 HA HIS 78 -3.420 13.660 -2.010 587 HB2 HIS 78 1HB HIS 78 -1.301 14.902 -0.271 588 HB3 HIS 78 2HB HIS 78 -2.404 15.693 -1.394 589 HD1 HIS 78 1HD HIS 78 -1.913 15.954 1.904 590 HD2 HIS 78 2HD HIS 78 -5.243 14.624 -0.196 591 HE1 HIS 78 1HE HIS 78 -3.859 16.255 3.468 592 HE2 HIS 78 2HE HIS 78 -5.849 15.364 2.207 593 H SER 79 H SER 79 -1.759 11.216 -1.878 594 HA SER 79 HA SER 79 -0.038 11.779 -4.052 595 HB2 SER 79 1HB SER 79 2.126 11.274 -2.950 596 HB3 SER 79 2HB SER 79 1.400 12.764 -2.346 597 HG SER 79 HG SER 79 0.771 11.693 -0.501 598 H PHE 80 H PHE 80 1.371 9.821 -4.566 599 HA PHE 80 HA PHE 80 0.643 7.317 -3.378 600 HB2 PHE 80 1HB PHE 80 -0.182 7.590 -6.252 601 HB3 PHE 80 2HB PHE 80 -0.663 6.375 -5.072 602 HD1 PHE 80 2HD PHE 80 -1.187 9.820 -6.223 603 HD2 PHE 80 1HD PHE 80 -2.482 6.754 -3.571 604 HE1 PHE 80 2HE PHE 80 -3.235 11.099 -5.751 605 HE2 PHE 80 1HE PHE 80 -4.533 8.027 -3.095 606 HZ PHE 80 HZ PHE 80 -4.911 10.203 -4.184 607 HA PRO 81 HA PRO 81 0.640 5.124 -4.232 608 HB2 PRO 81 1HB PRO 81 2.346 3.288 -3.189 609 HB3 PRO 81 2HB PRO 81 1.873 3.302 -4.892 610 HG2 PRO 81 1HG PRO 81 4.364 4.357 -3.609 611 HG3 PRO 81 2HG PRO 81 4.184 3.433 -5.112 612 HD2 PRO 81 1HD PRO 81 4.523 6.119 -5.085 613 HD3 PRO 81 2HD PRO 81 3.564 5.290 -6.328 614 H THR 82 H THR 82 -0.202 5.014 -2.202 615 HA THR 82 HA THR 82 1.429 6.126 -0.012 616 HB THR 82 HB THR 82 -1.468 6.574 -0.680 617 HG1 THR 82 1HG THR 82 0.857 8.060 -0.545 618 HG21 THR 82 1HG2 THR 82 -1.497 5.917 1.639 619 HG22 THR 82 2HG2 THR 82 -1.685 7.668 1.546 620 HG23 THR 82 3HG2 THR 82 -0.129 6.970 1.996 621 H LEU 83 H LEU 83 1.666 4.892 1.741 622 HA LEU 83 HA LEU 83 -0.140 2.587 2.069 623 HB2 LEU 83 1HB LEU 83 2.760 2.748 2.869 624 HB3 LEU 83 2HB LEU 83 1.707 1.342 3.008 625 HG LEU 83 HG LEU 83 2.664 2.597 0.435 626 HD11 LEU 83 1HD1 LEU 83 3.796 0.340 0.224 627 HD12 LEU 83 2HD1 LEU 83 3.470 0.126 1.943 628 HD13 LEU 83 3HD1 LEU 83 4.486 1.460 1.399 629 HD21 LEU 83 1HD2 LEU 83 1.691 0.321 -0.402 630 HD22 LEU 83 2HD2 LEU 83 0.630 1.711 -0.171 631 HD23 LEU 83 3HD2 LEU 83 0.697 0.439 1.050 632 H LYS 84 H LYS 84 -1.034 2.243 4.035 633 HA LYS 84 HA LYS 84 -0.094 3.843 6.307 634 HB2 LYS 84 1HB LYS 84 -3.023 3.569 5.634 635 HB3 LYS 84 2HB LYS 84 -2.295 4.585 6.872 636 HG2 LYS 84 1HG LYS 84 -1.072 5.626 4.762 637 HG3 LYS 84 2HG LYS 84 -2.512 5.009 3.948 638 HD2 LYS 84 1HD LYS 84 -3.949 6.305 5.332 639 HD3 LYS 84 2HD LYS 84 -2.624 6.730 6.418 640 HE2 LYS 84 1HE LYS 84 -2.450 7.469 3.531 641 HE3 LYS 84 2HE LYS 84 -3.468 8.426 4.606 642 HZ1 LYS 84 1HZ LYS 84 -0.792 8.747 4.239 643 HZ2 LYS 84 2HZ LYS 84 -0.875 7.911 5.707 644 HZ3 LYS 84 3HZ LYS 84 -1.695 9.379 5.523 645 H PHE 85 H PHE 85 0.150 2.646 8.073 646 HA PHE 85 HA PHE 85 -0.930 -0.062 8.098 647 HB2 PHE 85 1HB PHE 85 1.415 0.105 8.605 648 HB3 PHE 85 2HB PHE 85 1.113 1.325 9.838 649 HD1 PHE 85 2HD PHE 85 0.813 -2.240 9.003 650 HD2 PHE 85 1HD PHE 85 0.411 0.722 12.033 651 HE1 PHE 85 2HE PHE 85 0.650 -4.008 10.706 652 HE2 PHE 85 1HE PHE 85 0.249 -1.042 13.741 653 HZ PHE 85 HZ PHE 85 0.367 -3.411 13.078 654 H PHE 86 H PHE 86 -2.658 -0.623 9.240 655 HA PHE 86 HA PHE 86 -3.670 1.264 11.255 656 HB2 PHE 86 1HB PHE 86 -5.174 -0.908 9.782 657 HB3 PHE 86 2HB PHE 86 -5.870 0.282 10.877 658 HD1 PHE 86 1HD PHE 86 -3.648 2.291 9.487 659 HD2 PHE 86 2HD PHE 86 -7.010 -0.010 8.253 660 HE1 PHE 86 1HE PHE 86 -3.999 3.824 7.595 661 HE2 PHE 86 2HE PHE 86 -7.365 1.520 6.358 662 HZ PHE 86 HZ PHE 86 -5.858 3.439 6.027 663 HA PRO 87 HA PRO 87 -2.290 -1.988 14.060 664 HB2 PRO 87 1HB PRO 87 -2.509 -0.456 16.291 665 HB3 PRO 87 2HB PRO 87 -1.126 -0.365 15.195 666 HG2 PRO 87 1HG PRO 87 -3.524 1.418 15.370 667 HG3 PRO 87 2HG PRO 87 -1.818 1.855 15.159 668 HD2 PRO 87 1HD PRO 87 -3.570 1.784 13.095 669 HD3 PRO 87 2HD PRO 87 -1.850 1.393 12.901 670 H ALA 88 H ALA 88 -3.251 -2.836 16.145 671 HA ALA 88 HA ALA 88 -6.049 -3.308 15.746 672 HB1 ALA 88 1HB ALA 88 -4.416 -5.017 16.572 673 HB2 ALA 88 2HB ALA 88 -4.379 -4.148 18.107 674 HB3 ALA 88 3HB ALA 88 -5.884 -4.870 17.538 675 H SER 89 H SER 89 -5.979 -0.677 16.054 676 HA SER 89 HA SER 89 -6.885 -0.204 18.819 677 HB2 SER 89 1HB SER 89 -5.358 1.534 16.911 678 HB3 SER 89 2HB SER 89 -6.382 2.277 18.138 679 HG SER 89 HG SER 89 -4.824 1.917 19.483 680 H ALA 90 H ALA 90 -8.994 0.101 19.008 681 HA ALA 90 HA ALA 90 -10.731 0.350 16.791 682 HB1 ALA 90 1HB ALA 90 -12.038 -0.493 18.384 683 HB2 ALA 90 2HB ALA 90 -10.978 0.087 19.669 684 HB3 ALA 90 3HB ALA 90 -12.203 1.157 18.986 685 H ASP 91 H ASP 91 -8.758 2.615 18.199 686 HA ASP 91 HA ASP 91 -10.533 4.887 17.929 687 HB2 ASP 91 1HB ASP 91 -7.612 4.626 18.645 688 HB3 ASP 91 2HB ASP 91 -8.415 6.184 18.465 689 H ARG 92 H ARG 92 -10.120 3.335 15.555 690 HA ARG 92 HA ARG 92 -9.304 3.461 13.392 691 HB2 ARG 92 1HB ARG 92 -10.350 6.262 13.842 692 HB3 ARG 92 2HB ARG 92 -10.142 5.481 12.280 693 HG2 ARG 92 1HG ARG 92 -11.724 3.671 13.388 694 HG3 ARG 92 2HG ARG 92 -12.218 5.063 14.354 695 HD2 ARG 92 1HD ARG 92 -12.187 4.950 11.340 696 HD3 ARG 92 2HD ARG 92 -13.618 4.758 12.351 697 HE ARG 92 HE ARG 92 -12.289 7.215 11.675 698 HH11 ARG 92 2HH1 ARG 92 -14.349 5.614 13.980 699 HH12 ARG 92 1HH1 ARG 92 -15.067 7.083 14.555 700 HH21 ARG 92 2HH2 ARG 92 -13.226 9.155 12.422 701 HH22 ARG 92 1HH2 ARG 92 -14.428 9.096 13.667 702 H THR 93 H THR 93 -7.106 3.638 14.931 703 HA THR 93 HA THR 93 -5.604 6.035 14.444 704 HB THR 93 HB THR 93 -4.617 3.332 15.377 705 HG1 THR 93 1HG THR 93 -6.264 4.757 16.637 706 HG21 THR 93 1HG2 THR 93 -2.569 4.222 15.617 707 HG22 THR 93 2HG2 THR 93 -3.206 5.746 16.235 708 HG23 THR 93 3HG2 THR 93 -3.129 5.462 14.496 709 H VAL 94 H VAL 94 -4.008 6.401 12.955 710 HA VAL 94 HA VAL 94 -3.535 4.300 10.947 711 HB VAL 94 HB VAL 94 -4.173 7.203 10.457 712 HG11 VAL 94 1HG1 VAL 94 -2.627 7.182 8.844 713 HG12 VAL 94 2HG1 VAL 94 -2.411 5.434 8.953 714 HG13 VAL 94 3HG1 VAL 94 -3.723 6.103 7.981 715 HG21 VAL 94 1HG2 VAL 94 -5.314 4.758 9.130 716 HG22 VAL 94 2HG2 VAL 94 -5.986 5.434 10.613 717 HG23 VAL 94 3HG2 VAL 94 -5.958 6.399 9.138 718 H ILE 95 H ILE 95 -1.458 3.974 10.415 719 HA ILE 95 HA ILE 95 0.530 5.870 11.479 720 HB ILE 95 HB ILE 95 0.758 2.899 11.000 721 HG12 ILE 95 1HG1 ILE 95 0.949 4.564 13.520 722 HG13 ILE 95 2HG1 ILE 95 -0.415 3.550 13.063 723 HG21 ILE 95 1HG2 ILE 95 2.877 3.567 10.427 724 HG22 ILE 95 2HG2 ILE 95 2.830 4.987 11.470 725 HG23 ILE 95 3HG2 ILE 95 3.053 3.385 12.172 726 HD11 ILE 95 1HD1 ILE 95 1.952 2.850 14.479 727 HD12 ILE 95 2HD1 ILE 95 0.532 1.864 14.126 728 HD13 ILE 95 3HD1 ILE 95 1.874 1.918 12.984 729 H ASP 96 H ASP 96 2.105 6.662 10.171 730 HA ASP 96 HA ASP 96 1.719 6.350 7.320 731 HB2 ASP 96 1HB ASP 96 3.599 8.087 8.931 732 HB3 ASP 96 2HB ASP 96 3.506 8.103 7.172 733 H TYR 97 H TYR 97 2.944 5.190 5.965 734 HA TYR 97 HA TYR 97 5.227 3.739 7.110 735 HB2 TYR 97 1HB TYR 97 3.380 2.373 6.188 736 HB3 TYR 97 2HB TYR 97 3.629 3.122 4.616 737 HD1 TYR 97 1HD TYR 97 5.871 2.777 3.465 738 HD2 TYR 97 2HD TYR 97 4.634 0.496 6.838 739 HE1 TYR 97 1HE TYR 97 7.536 1.057 2.905 740 HE2 TYR 97 2HE TYR 97 6.298 -1.230 6.287 741 HH TYR 97 HH TYR 97 8.831 -0.783 4.324 742 H ASN 98 H ASN 98 7.100 4.720 6.716 743 HA ASN 98 HA ASN 98 7.622 5.656 3.975 744 HB2 ASN 98 1HB ASN 98 8.184 7.050 6.579 745 HB3 ASN 98 2HB ASN 98 9.156 7.388 5.150 746 HD21 ASN 98 1HD2 ASN 98 6.163 7.866 6.738 747 HD22 ASN 98 2HD2 ASN 98 5.451 8.915 5.564 748 H GLY 99 H GLY 99 8.460 3.367 3.947 749 HA2 GLY 99 1HA GLY 99 11.237 3.329 4.959 750 HA3 GLY 99 2HA GLY 99 10.222 1.895 4.930 751 H GLU 100 H GLU 100 11.732 0.781 3.647 752 HA GLU 100 HA GLU 100 12.704 1.756 1.176 753 HB2 GLU 100 1HB GLU 100 13.258 -0.657 0.740 754 HB3 GLU 100 2HB GLU 100 13.902 -0.010 2.243 755 HG2 GLU 100 1HG GLU 100 12.044 -1.056 3.466 756 HG3 GLU 100 2HG GLU 100 11.462 -1.748 1.953 757 H ARG 101 H ARG 101 9.702 0.384 2.121 758 HA ARG 101 HA ARG 101 7.807 -0.168 0.991 759 HB2 ARG 101 1HB ARG 101 8.097 2.149 0.157 760 HB3 ARG 101 2HB ARG 101 9.021 1.522 -1.201 761 HG2 ARG 101 1HG ARG 101 7.143 0.496 -2.152 762 HG3 ARG 101 2HG ARG 101 6.210 0.632 -0.660 763 HD2 ARG 101 1HD ARG 101 5.327 2.323 -1.980 764 HD3 ARG 101 2HD ARG 101 6.503 3.176 -0.980 765 HE ARG 101 HE ARG 101 6.655 2.696 -3.836 766 HH11 ARG 101 2HH1 ARG 101 8.309 3.682 -0.935 767 HH12 ARG 101 1HH1 ARG 101 9.561 4.529 -1.781 768 HH21 ARG 101 2HH2 ARG 101 8.298 3.808 -4.961 769 HH22 ARG 101 1HH2 ARG 101 9.554 4.601 -4.071 770 H THR 102 H THR 102 9.498 -2.207 0.962 771 HA THR 102 HA THR 102 9.251 -3.281 -1.767 772 HB THR 102 HB THR 102 11.345 -4.463 -1.566 773 HG1 THR 102 1HG THR 102 11.211 -3.522 1.079 774 HG21 THR 102 1HG2 THR 102 12.536 -2.690 -2.236 775 HG22 THR 102 2HG2 THR 102 12.422 -1.920 -0.654 776 HG23 THR 102 3HG2 THR 102 11.123 -1.718 -1.828 777 H LEU 103 H LEU 103 8.750 -5.472 -1.934 778 HA LEU 103 HA LEU 103 6.948 -6.612 -0.312 779 HB2 LEU 103 1HB LEU 103 7.537 -7.615 -2.407 780 HB3 LEU 103 2HB LEU 103 9.150 -8.011 -1.817 781 HG LEU 103 HG LEU 103 8.161 -9.629 -0.250 782 HD11 LEU 103 1HD1 LEU 103 6.032 -9.225 0.312 783 HD12 LEU 103 2HD1 LEU 103 5.643 -10.140 -1.144 784 HD13 LEU 103 3HD1 LEU 103 5.688 -8.378 -1.197 785 HD21 LEU 103 1HD2 LEU 103 6.912 -10.634 -2.650 786 HD22 LEU 103 2HD2 LEU 103 8.376 -11.178 -1.830 787 HD23 LEU 103 3HD2 LEU 103 8.459 -9.867 -3.009 788 H ASP 104 H ASP 104 10.457 -7.089 0.025 789 HA ASP 104 HA ASP 104 10.208 -8.641 2.413 790 HB2 ASP 104 1HB ASP 104 12.167 -8.475 0.639 791 HB3 ASP 104 2HB ASP 104 12.745 -7.219 1.732 792 H GLY 105 H GLY 105 10.648 -5.247 1.678 793 HA2 GLY 105 1HA GLY 105 11.465 -4.399 4.252 794 HA3 GLY 105 2HA GLY 105 10.738 -3.382 3.017 795 H PHE 106 H PHE 106 8.278 -4.788 2.780 796 HA PHE 106 HA PHE 106 6.766 -3.516 4.757 797 HB2 PHE 106 1HB PHE 106 6.044 -5.827 2.946 798 HB3 PHE 106 2HB PHE 106 4.882 -4.938 3.926 799 HD1 PHE 106 2HD PHE 106 5.849 -2.174 3.579 800 HD2 PHE 106 1HD PHE 106 5.438 -5.338 0.762 801 HE1 PHE 106 2HE PHE 106 5.587 -0.526 1.772 802 HE2 PHE 106 1HE PHE 106 5.176 -3.695 -1.051 803 HZ PHE 106 HZ PHE 106 5.249 -1.285 -0.547 804 H LYS 107 H LYS 107 7.707 -6.926 4.441 805 HA LYS 107 HA LYS 107 6.381 -7.978 6.625 806 HB2 LYS 107 1HB LYS 107 9.182 -8.834 5.958 807 HB3 LYS 107 2HB LYS 107 7.824 -9.820 6.485 808 HG2 LYS 107 1HG LYS 107 6.802 -8.971 4.192 809 HG3 LYS 107 2HG LYS 107 8.512 -8.820 3.782 810 HD2 LYS 107 1HD LYS 107 8.635 -11.242 4.800 811 HD3 LYS 107 2HD LYS 107 6.913 -11.257 4.413 812 HE2 LYS 107 1HE LYS 107 7.737 -12.056 2.445 813 HE3 LYS 107 2HE LYS 107 7.805 -10.329 2.098 814 HZ1 LYS 107 1HZ LYS 107 9.933 -12.212 2.309 815 HZ2 LYS 107 2HZ LYS 107 10.183 -10.891 3.334 816 HZ3 LYS 107 3HZ LYS 107 9.948 -10.642 1.678 817 H LYS 108 H LYS 108 9.538 -6.374 6.521 818 HA LYS 108 HA LYS 108 10.305 -6.779 9.169 819 HB2 LYS 108 1HB LYS 108 10.868 -4.298 7.541 820 HB3 LYS 108 2HB LYS 108 11.826 -4.935 8.872 821 HG2 LYS 108 1HG LYS 108 11.973 -7.047 7.301 822 HG3 LYS 108 2HG LYS 108 11.649 -5.844 6.051 823 HD2 LYS 108 1HD LYS 108 13.836 -5.568 8.107 824 HD3 LYS 108 2HD LYS 108 14.081 -6.280 6.510 825 HE2 LYS 108 1HE LYS 108 14.692 -4.101 6.117 826 HE3 LYS 108 2HE LYS 108 12.984 -4.052 5.683 827 HZ1 LYS 108 1HZ LYS 108 12.465 -2.805 7.482 828 HZ2 LYS 108 2HZ LYS 108 14.071 -2.301 7.312 829 HZ3 LYS 108 3HZ LYS 108 13.670 -3.477 8.460 830 H PHE 109 H PHE 109 8.519 -4.046 7.750 831 HA PHE 109 HA PHE 109 8.172 -2.590 10.112 832 HB2 PHE 109 1HB PHE 109 7.737 -1.707 7.833 833 HB3 PHE 109 2HB PHE 109 6.295 -2.713 7.743 834 HD1 PHE 109 2HD PHE 109 7.828 0.201 9.367 835 HD2 PHE 109 1HD PHE 109 4.286 -2.106 8.876 836 HE1 PHE 109 2HE PHE 109 6.517 1.996 10.421 837 HE2 PHE 109 1HE PHE 109 2.969 -0.315 9.929 838 HZ PHE 109 HZ PHE 109 4.084 1.739 10.704 839 H LEU 110 H LEU 110 6.002 -4.944 8.559 840 HA LEU 110 HA LEU 110 3.977 -4.838 10.507 841 HB2 LEU 110 1HB LEU 110 4.747 -7.117 8.690 842 HB3 LEU 110 2HB LEU 110 3.227 -6.977 9.572 843 HG LEU 110 HG LEU 110 4.031 -4.879 7.590 844 HD11 LEU 110 1HD1 LEU 110 4.178 -6.624 6.121 845 HD12 LEU 110 2HD1 LEU 110 2.443 -6.314 6.063 846 HD13 LEU 110 3HD1 LEU 110 3.069 -7.641 7.042 847 HD21 LEU 110 1HD2 LEU 110 1.444 -5.883 8.752 848 HD22 LEU 110 2HD2 LEU 110 1.517 -4.799 7.363 849 HD23 LEU 110 3HD2 LEU 110 2.167 -4.284 8.920 850 H GLU 111 H GLU 111 6.333 -7.472 9.991 851 HA GLU 111 HA GLU 111 5.934 -9.021 12.145 852 HB2 GLU 111 1HB GLU 111 8.551 -8.127 10.950 853 HB3 GLU 111 2HB GLU 111 8.475 -9.331 12.229 854 HG2 GLU 111 1HG GLU 111 6.732 -10.438 10.571 855 HG3 GLU 111 2HG GLU 111 7.664 -9.523 9.387 856 H SER 112 H SER 112 7.565 -5.896 12.181 857 HA SER 112 HA SER 112 8.378 -6.013 14.900 858 HB2 SER 112 1HB SER 112 7.958 -3.637 13.071 859 HB3 SER 112 2HB SER 112 8.733 -3.561 14.653 860 HG SER 112 HG SER 112 9.954 -3.975 12.455 861 H GLY 113 H GLY 113 5.551 -4.663 13.253 862 HA2 GLY 113 1HA GLY 113 3.407 -4.803 14.404 863 HA3 GLY 113 2HA GLY 113 4.257 -4.426 15.896 864 H GLY 114 H GLY 114 4.846 -2.792 12.844 865 HA2 GLY 114 1HA GLY 114 4.522 -0.614 12.195 866 HA3 GLY 114 2HA GLY 114 3.093 -0.618 13.218 867 H GLN 115 H GLN 115 6.555 -0.937 13.981 868 HA GLN 115 HA GLN 115 6.225 1.248 15.918 869 HB2 GLN 115 1HB GLN 115 8.374 -0.874 15.770 870 HB3 GLN 115 2HB GLN 115 8.222 0.350 17.024 871 HG2 GLN 115 1HG GLN 115 6.018 -1.601 16.474 872 HG3 GLN 115 2HG GLN 115 7.377 -2.012 17.519 873 HE21 GLN 115 1HE2 GLN 115 7.823 -0.392 19.269 874 HE22 GLN 115 2HE2 GLN 115 6.456 0.284 20.079 875 H SER 116 H SER 116 6.554 3.023 14.610 876 HA SER 116 HA SER 116 9.136 3.183 13.210 877 HB2 SER 116 1HB SER 116 8.111 5.104 11.989 878 HB3 SER 116 2HB SER 116 7.247 3.587 11.745 879 HG SER 116 HG SER 116 5.713 4.276 13.257 880 H GLY 117 H GLY 117 6.921 5.375 14.961 881 HA2 GLY 117 1HA GLY 117 9.079 6.282 16.659 882 HA3 GLY 117 2HA GLY 117 8.535 7.477 15.491 883 HA PRO 118 HA PRO 118 5.794 7.198 19.413 884 HB2 PRO 118 1HB PRO 118 6.892 9.195 20.889 885 HB3 PRO 118 2HB PRO 118 7.397 7.507 21.031 886 HG2 PRO 118 1HG PRO 118 8.680 9.747 19.516 887 HG3 PRO 118 2HG PRO 118 9.438 8.500 20.523 888 HD2 PRO 118 1HD PRO 118 9.388 8.358 17.819 889 HD3 PRO 118 2HD PRO 118 9.341 6.915 18.852 890 H SER 119 H SER 119 6.784 9.357 17.038 891 HA SER 119 HA SER 119 4.499 11.126 17.612 892 HB2 SER 119 1HB SER 119 6.624 12.316 17.991 893 HB3 SER 119 2HB SER 119 7.133 11.925 16.348 894 HG SER 119 HG SER 119 4.922 13.022 15.897 895 H SER 120 H SER 120 6.712 10.148 14.991 896 HA SER 120 HA SER 120 6.348 10.043 12.719 897 HB2 SER 120 1HB SER 120 3.971 8.439 13.690 898 HB3 SER 120 2HB SER 120 4.785 8.277 12.134 899 HG SER 120 HG SER 120 5.752 6.748 13.289 900 H GLY 121 H GLY 121 5.352 12.455 13.675 901 HA2 GLY 121 1HA GLY 121 3.657 13.252 11.589 902 HA3 GLY 121 2HA GLY 121 2.666 12.975 13.014 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -14.226 -13.267 -2.566 2 HA2 GLY 1 1HA GLY 1 -16.157 -13.713 -1.190 3 HA3 GLY 1 2HA GLY 1 -15.187 -15.179 -1.197 4 H SER 2 H SER 2 -17.023 -14.373 0.843 5 HA SER 2 HA SER 2 -15.439 -13.409 3.064 6 HB2 SER 2 1HB SER 2 -18.309 -14.076 2.612 7 HB3 SER 2 2HB SER 2 -17.705 -14.137 4.268 8 HG SER 2 HG SER 2 -18.546 -12.057 3.572 9 H SER 3 H SER 3 -17.287 -16.388 2.400 10 HA SER 3 HA SER 3 -16.379 -17.844 4.600 11 HB2 SER 3 1HB SER 3 -17.214 -18.881 1.880 12 HB3 SER 3 2HB SER 3 -17.098 -19.846 3.352 13 HG SER 3 HG SER 3 -18.694 -18.426 4.260 14 H GLY 4 H GLY 4 -14.740 -19.366 4.877 15 HA2 GLY 4 1HA GLY 4 -12.603 -20.180 4.680 16 HA3 GLY 4 2HA GLY 4 -12.924 -20.236 2.953 17 H SER 5 H SER 5 -11.551 -19.125 1.749 18 HA SER 5 HA SER 5 -10.786 -16.452 2.312 19 HB2 SER 5 1HB SER 5 -8.358 -16.845 2.636 20 HB3 SER 5 2HB SER 5 -9.323 -17.492 3.962 21 HG SER 5 HG SER 5 -8.031 -19.148 3.488 22 H SER 6 H SER 6 -9.965 -15.455 0.523 23 HA SER 6 HA SER 6 -8.951 -17.046 -1.691 24 HB2 SER 6 1HB SER 6 -10.571 -16.396 -3.281 25 HB3 SER 6 2HB SER 6 -11.510 -16.863 -1.863 26 HG SER 6 HG SER 6 -11.445 -14.506 -3.123 27 H GLY 7 H GLY 7 -8.050 -15.705 -3.426 28 HA2 GLY 7 1HA GLY 7 -6.744 -13.970 -4.171 29 HA3 GLY 7 2HA GLY 7 -7.795 -12.909 -3.244 30 HA PRO 8 HA PRO 8 -3.462 -13.677 -1.260 31 HB2 PRO 8 1HB PRO 8 -1.931 -11.830 -2.532 32 HB3 PRO 8 2HB PRO 8 -2.067 -13.506 -3.077 33 HG2 PRO 8 1HG PRO 8 -3.471 -11.065 -4.092 34 HG3 PRO 8 2HG PRO 8 -2.740 -12.397 -5.006 35 HD2 PRO 8 1HD PRO 8 -5.405 -12.225 -4.563 36 HD3 PRO 8 2HD PRO 8 -4.557 -13.779 -4.689 37 H VAL 9 H VAL 9 -4.530 -10.534 -2.576 38 HA VAL 9 HA VAL 9 -4.283 -9.416 0.142 39 HB VAL 9 HB VAL 9 -2.732 -8.194 -1.072 40 HG11 VAL 9 1HG1 VAL 9 -4.646 -8.051 -3.398 41 HG12 VAL 9 2HG1 VAL 9 -2.984 -7.460 -3.359 42 HG13 VAL 9 3HG1 VAL 9 -3.308 -9.191 -3.259 43 HG21 VAL 9 1HG2 VAL 9 -3.495 -6.101 -0.771 44 HG22 VAL 9 2HG2 VAL 9 -4.868 -6.337 -1.852 45 HG23 VAL 9 3HG2 VAL 9 -4.952 -6.903 -0.184 46 H LYS 10 H LYS 10 -6.006 -8.412 1.026 47 HA LYS 10 HA LYS 10 -8.573 -8.792 -0.151 48 HB2 LYS 10 1HB LYS 10 -7.724 -8.539 2.393 49 HB3 LYS 10 2HB LYS 10 -8.282 -6.895 2.111 50 HG2 LYS 10 1HG LYS 10 -10.078 -9.138 1.356 51 HG3 LYS 10 2HG LYS 10 -9.880 -8.754 3.067 52 HD2 LYS 10 1HD LYS 10 -10.379 -6.338 2.403 53 HD3 LYS 10 2HD LYS 10 -10.929 -7.001 0.862 54 HE2 LYS 10 1HE LYS 10 -12.309 -8.597 2.457 55 HE3 LYS 10 2HE LYS 10 -12.114 -7.251 3.579 56 HZ1 LYS 10 1HZ LYS 10 -12.881 -6.250 1.067 57 HZ2 LYS 10 2HZ LYS 10 -13.719 -6.171 2.534 58 HZ3 LYS 10 3HZ LYS 10 -13.949 -7.489 1.499 59 H VAL 11 H VAL 11 -10.068 -7.234 -0.842 60 HA VAL 11 HA VAL 11 -8.849 -4.692 -1.702 61 HB VAL 11 HB VAL 11 -11.173 -6.163 -2.954 62 HG11 VAL 11 1HG1 VAL 11 -9.947 -3.499 -3.406 63 HG12 VAL 11 2HG1 VAL 11 -10.460 -4.418 -4.822 64 HG13 VAL 11 3HG1 VAL 11 -11.626 -4.015 -3.561 65 HG21 VAL 11 1HG2 VAL 11 -8.266 -6.239 -3.405 66 HG22 VAL 11 2HG2 VAL 11 -9.503 -7.442 -3.767 67 HG23 VAL 11 3HG2 VAL 11 -9.256 -6.077 -4.856 68 H LEU 12 H LEU 12 -9.451 -3.103 -0.379 69 HA LEU 12 HA LEU 12 -12.058 -3.156 0.909 70 HB2 LEU 12 1HB LEU 12 -9.922 -1.051 1.153 71 HB3 LEU 12 2HB LEU 12 -11.274 -1.345 2.245 72 HG LEU 12 HG LEU 12 -9.149 -3.421 1.842 73 HD11 LEU 12 1HD1 LEU 12 -8.211 -2.383 4.025 74 HD12 LEU 12 2HD1 LEU 12 -8.999 -0.911 3.458 75 HD13 LEU 12 3HD1 LEU 12 -7.761 -1.685 2.469 76 HD21 LEU 12 1HD2 LEU 12 -11.525 -3.342 3.262 77 HD22 LEU 12 2HD2 LEU 12 -10.286 -3.043 4.482 78 HD23 LEU 12 3HD2 LEU 12 -10.207 -4.494 3.482 79 H VAL 13 H VAL 13 -13.577 -1.455 0.760 80 HA VAL 13 HA VAL 13 -13.276 0.275 -1.606 81 HB VAL 13 HB VAL 13 -15.783 0.049 -1.890 82 HG11 VAL 13 1HG1 VAL 13 -14.096 -2.416 -2.315 83 HG12 VAL 13 2HG1 VAL 13 -15.606 -2.041 -3.148 84 HG13 VAL 13 3HG1 VAL 13 -14.186 -1.023 -3.393 85 HG21 VAL 13 1HG2 VAL 13 -17.017 -1.376 -0.663 86 HG22 VAL 13 2HG2 VAL 13 -15.745 -2.596 -0.612 87 HG23 VAL 13 3HG2 VAL 13 -15.702 -1.230 0.503 88 H GLY 14 H GLY 14 -14.755 2.173 -1.575 89 HA2 GLY 14 1HA GLY 14 -14.495 3.568 0.889 90 HA3 GLY 14 2HA GLY 14 -15.334 4.145 -0.544 91 H LYS 15 H LYS 15 -16.622 1.201 0.153 92 HA LYS 15 HA LYS 15 -18.923 2.440 1.465 93 HB2 LYS 15 1HB LYS 15 -19.363 1.171 -0.575 94 HB3 LYS 15 2HB LYS 15 -18.616 -0.256 0.131 95 HG2 LYS 15 1HG LYS 15 -20.420 0.008 1.968 96 HG3 LYS 15 2HG LYS 15 -21.241 1.016 0.775 97 HD2 LYS 15 1HD LYS 15 -20.253 -1.743 0.111 98 HD3 LYS 15 2HD LYS 15 -21.839 -1.471 0.837 99 HE2 LYS 15 1HE LYS 15 -22.289 0.136 -1.060 100 HE3 LYS 15 2HE LYS 15 -20.817 -0.474 -1.814 101 HZ1 LYS 15 1HZ LYS 15 -21.796 -2.404 -2.365 102 HZ2 LYS 15 2HZ LYS 15 -23.229 -1.517 -2.229 103 HZ3 LYS 15 3HZ LYS 15 -22.713 -2.491 -0.946 104 H ASN 16 H ASN 16 -16.707 -0.300 1.836 105 HA ASN 16 HA ASN 16 -17.463 -0.411 4.678 106 HB2 ASN 16 1HB ASN 16 -17.185 -2.847 4.638 107 HB3 ASN 16 2HB ASN 16 -18.433 -2.340 3.503 108 HD21 ASN 16 1HD2 ASN 16 -15.035 -3.246 3.742 109 HD22 ASN 16 2HD2 ASN 16 -14.913 -3.905 2.149 110 H PHE 17 H PHE 17 -15.248 0.918 3.205 111 HA PHE 17 HA PHE 17 -12.820 -0.390 3.425 112 HB2 PHE 17 1HB PHE 17 -12.599 1.638 2.362 113 HB3 PHE 17 2HB PHE 17 -13.661 2.468 3.495 114 HD1 PHE 17 2HD PHE 17 -10.344 0.762 3.446 115 HD2 PHE 17 1HD PHE 17 -12.715 3.958 4.957 116 HE1 PHE 17 2HE PHE 17 -8.378 1.660 4.623 117 HE2 PHE 17 1HE PHE 17 -10.753 4.861 6.136 118 HZ PHE 17 HZ PHE 17 -8.581 3.711 5.971 119 H GLU 18 H GLU 18 -14.001 1.996 5.800 120 HA GLU 18 HA GLU 18 -12.170 1.318 7.802 121 HB2 GLU 18 1HB GLU 18 -14.933 2.416 8.310 122 HB3 GLU 18 2HB GLU 18 -13.485 2.651 9.279 123 HG2 GLU 18 1HG GLU 18 -13.573 4.650 8.202 124 HG3 GLU 18 2HG GLU 18 -12.574 3.739 7.071 125 H ASP 19 H ASP 19 -15.216 -0.101 6.902 126 HA ASP 19 HA ASP 19 -15.814 -1.495 9.259 127 HB2 ASP 19 1HB ASP 19 -16.524 -1.828 6.377 128 HB3 ASP 19 2HB ASP 19 -16.889 -3.144 7.489 129 H VAL 20 H VAL 20 -13.669 -2.257 6.581 130 HA VAL 20 HA VAL 20 -12.982 -4.822 7.823 131 HB VAL 20 HB VAL 20 -12.335 -3.687 5.103 132 HG11 VAL 20 1HG1 VAL 20 -10.424 -4.959 5.953 133 HG12 VAL 20 2HG1 VAL 20 -11.484 -6.333 6.276 134 HG13 VAL 20 3HG1 VAL 20 -11.215 -5.796 4.617 135 HG21 VAL 20 1HG2 VAL 20 -14.642 -4.622 5.608 136 HG22 VAL 20 2HG2 VAL 20 -13.789 -5.330 4.237 137 HG23 VAL 20 3HG2 VAL 20 -13.857 -6.192 5.773 138 H ALA 21 H ALA 21 -11.286 -2.055 6.337 139 HA ALA 21 HA ALA 21 -8.719 -2.612 7.132 140 HB1 ALA 21 1HB ALA 21 -9.176 0.202 7.434 141 HB2 ALA 21 2HB ALA 21 -8.326 -0.660 6.151 142 HB3 ALA 21 3HB ALA 21 -10.067 -0.407 6.038 143 H PHE 22 H PHE 22 -10.892 -0.392 8.895 144 HA PHE 22 HA PHE 22 -9.239 -0.482 11.239 145 HB2 PHE 22 1HB PHE 22 -11.846 0.830 10.538 146 HB3 PHE 22 2HB PHE 22 -11.302 0.781 12.212 147 HD1 PHE 22 2HD PHE 22 -8.529 1.296 12.186 148 HD2 PHE 22 1HD PHE 22 -11.531 2.907 9.634 149 HE1 PHE 22 2HE PHE 22 -7.123 3.275 11.787 150 HE2 PHE 22 1HE PHE 22 -10.129 4.888 9.230 151 HZ PHE 22 HZ PHE 22 -7.922 5.075 10.308 152 H ASP 23 H ASP 23 -9.172 -2.560 12.020 153 HA ASP 23 HA ASP 23 -11.661 -3.517 13.246 154 HB2 ASP 23 1HB ASP 23 -11.178 -4.768 11.112 155 HB3 ASP 23 2HB ASP 23 -9.698 -5.354 11.866 156 H GLU 24 H GLU 24 -11.287 -3.411 15.360 157 HA GLU 24 HA GLU 24 -8.840 -3.263 16.632 158 HB2 GLU 24 1HB GLU 24 -9.998 -3.371 18.622 159 HB3 GLU 24 2HB GLU 24 -11.286 -2.923 17.513 160 HG2 GLU 24 1HG GLU 24 -11.580 -5.536 17.343 161 HG3 GLU 24 2HG GLU 24 -10.801 -5.487 18.924 162 H LYS 25 H LYS 25 -7.555 -4.737 17.770 163 HA LYS 25 HA LYS 25 -6.444 -6.691 18.118 164 HB2 LYS 25 1HB LYS 25 -9.143 -7.953 17.600 165 HB3 LYS 25 2HB LYS 25 -7.763 -8.746 18.348 166 HG2 LYS 25 1HG LYS 25 -8.877 -6.250 19.549 167 HG3 LYS 25 2HG LYS 25 -9.670 -7.803 19.828 168 HD2 LYS 25 1HD LYS 25 -7.775 -8.696 20.900 169 HD3 LYS 25 2HD LYS 25 -6.726 -7.412 20.295 170 HE2 LYS 25 1HE LYS 25 -8.274 -5.843 21.653 171 HE3 LYS 25 2HE LYS 25 -8.766 -7.317 22.487 172 HZ1 LYS 25 1HZ LYS 25 -6.135 -7.571 22.606 173 HZ2 LYS 25 2HZ LYS 25 -7.031 -6.767 23.794 174 HZ3 LYS 25 3HZ LYS 25 -6.237 -5.882 22.590 175 H LYS 26 H LYS 26 -6.607 -5.550 15.447 176 HA LYS 26 HA LYS 26 -5.567 -7.814 13.992 177 HB2 LYS 26 1HB LYS 26 -7.813 -8.159 13.347 178 HB3 LYS 26 2HB LYS 26 -8.112 -6.436 13.165 179 HG2 LYS 26 1HG LYS 26 -7.977 -7.173 10.981 180 HG3 LYS 26 2HG LYS 26 -6.352 -6.556 11.285 181 HD2 LYS 26 1HD LYS 26 -6.015 -8.619 10.220 182 HD3 LYS 26 2HD LYS 26 -5.754 -8.955 11.933 183 HE2 LYS 26 1HE LYS 26 -8.076 -9.775 12.091 184 HE3 LYS 26 2HE LYS 26 -8.271 -9.500 10.361 185 HZ1 LYS 26 1HZ LYS 26 -7.019 -11.682 11.724 186 HZ2 LYS 26 2HZ LYS 26 -6.013 -11.013 10.541 187 HZ3 LYS 26 3HZ LYS 26 -7.551 -11.576 10.121 188 H ASN 27 H ASN 27 -3.794 -7.120 13.009 189 HA ASN 27 HA ASN 27 -3.420 -4.269 12.560 190 HB2 ASN 27 1HB ASN 27 -1.443 -6.512 12.109 191 HB3 ASN 27 2HB ASN 27 -1.089 -4.791 12.228 192 HD21 ASN 27 1HD2 ASN 27 -1.758 -7.700 13.941 193 HD22 ASN 27 2HD2 ASN 27 -1.476 -7.084 15.530 194 H VAL 28 H VAL 28 -4.736 -3.863 10.779 195 HA VAL 28 HA VAL 28 -4.246 -5.350 8.317 196 HB VAL 28 HB VAL 28 -6.206 -3.111 8.840 197 HG11 VAL 28 1HG1 VAL 28 -6.730 -4.983 6.659 198 HG12 VAL 28 2HG1 VAL 28 -6.838 -3.222 6.695 199 HG13 VAL 28 3HG1 VAL 28 -5.281 -4.006 6.425 200 HG21 VAL 28 1HG2 VAL 28 -7.807 -5.174 8.610 201 HG22 VAL 28 2HG2 VAL 28 -6.384 -6.074 9.134 202 HG23 VAL 28 3HG2 VAL 28 -7.046 -4.799 10.156 203 H PHE 29 H PHE 29 -3.016 -4.629 6.699 204 HA PHE 29 HA PHE 29 -2.004 -1.870 6.865 205 HB2 PHE 29 1HB PHE 29 -0.293 -3.648 7.092 206 HB3 PHE 29 2HB PHE 29 -0.742 -4.260 5.504 207 HD1 PHE 29 1HD PHE 29 -0.703 -0.673 6.138 208 HD2 PHE 29 2HD PHE 29 1.530 -3.993 4.685 209 HE1 PHE 29 1HE PHE 29 0.905 0.870 5.094 210 HE2 PHE 29 2HE PHE 29 3.141 -2.456 3.639 211 HZ PHE 29 HZ PHE 29 2.830 -0.021 3.843 212 H VAL 30 H VAL 30 -3.386 -0.716 5.618 213 HA VAL 30 HA VAL 30 -4.316 -1.721 3.072 214 HB VAL 30 HB VAL 30 -4.672 1.053 4.208 215 HG11 VAL 30 1HG1 VAL 30 -5.239 1.133 1.946 216 HG12 VAL 30 2HG1 VAL 30 -5.953 -0.480 1.971 217 HG13 VAL 30 3HG1 VAL 30 -6.782 0.865 2.757 218 HG21 VAL 30 1HG2 VAL 30 -6.959 0.127 4.855 219 HG22 VAL 30 2HG2 VAL 30 -6.242 -1.471 4.649 220 HG23 VAL 30 3HG2 VAL 30 -5.586 -0.359 5.849 221 H GLU 31 H GLU 31 -4.054 -0.490 1.072 222 HA GLU 31 HA GLU 31 -1.618 1.135 0.949 223 HB2 GLU 31 1HB GLU 31 -0.676 -0.877 0.276 224 HB3 GLU 31 2HB GLU 31 -2.152 -1.424 -0.507 225 HG2 GLU 31 1HG GLU 31 -1.789 0.288 -2.264 226 HG3 GLU 31 2HG GLU 31 -0.243 0.672 -1.511 227 H PHE 32 H PHE 32 -2.448 3.028 0.310 228 HA PHE 32 HA PHE 32 -4.646 3.167 -1.556 229 HB2 PHE 32 1HB PHE 32 -2.975 5.335 -0.268 230 HB3 PHE 32 2HB PHE 32 -4.385 5.629 -1.281 231 HD1 PHE 32 1HD PHE 32 -6.627 4.894 -0.510 232 HD2 PHE 32 2HD PHE 32 -3.196 4.732 2.004 233 HE1 PHE 32 1HE PHE 32 -8.086 4.712 1.463 234 HE2 PHE 32 2HE PHE 32 -4.649 4.549 3.981 235 HZ PHE 32 HZ PHE 32 -7.097 4.538 3.712 236 H TYR 33 H TYR 33 -4.051 2.520 -3.564 237 HA TYR 33 HA TYR 33 -1.701 3.806 -4.779 238 HB2 TYR 33 1HB TYR 33 -1.635 1.985 -6.351 239 HB3 TYR 33 2HB TYR 33 -1.761 1.305 -4.733 240 HD1 TYR 33 2HD TYR 33 -3.657 2.029 -7.825 241 HD2 TYR 33 1HD TYR 33 -3.602 -0.057 -4.117 242 HE1 TYR 33 2HE TYR 33 -5.631 0.740 -8.527 243 HE2 TYR 33 1HE TYR 33 -5.575 -1.353 -4.810 244 HH TYR 33 HH TYR 33 -6.547 -1.837 -7.661 245 H ALA 34 H ALA 34 -2.020 3.959 -7.293 246 HA ALA 34 HA ALA 34 -4.680 5.100 -7.839 247 HB1 ALA 34 1HB ALA 34 -3.164 6.666 -9.389 248 HB2 ALA 34 2HB ALA 34 -3.584 7.078 -7.726 249 HB3 ALA 34 3HB ALA 34 -2.016 6.357 -8.087 250 HA PRO 35 HA PRO 35 -4.568 2.392 -11.332 251 HB2 PRO 35 1HB PRO 35 -6.676 3.455 -12.673 252 HB3 PRO 35 2HB PRO 35 -6.863 2.441 -11.237 253 HG2 PRO 35 1HG PRO 35 -6.940 5.425 -11.474 254 HG3 PRO 35 2HG PRO 35 -7.995 4.349 -10.538 255 HD2 PRO 35 1HD PRO 35 -5.960 5.735 -9.412 256 HD3 PRO 35 2HD PRO 35 -6.470 4.141 -8.822 257 H TRP 36 H TRP 36 -3.898 5.707 -11.375 258 HA TRP 36 HA TRP 36 -3.100 5.571 -14.210 259 HB2 TRP 36 1HB TRP 36 -3.145 8.216 -13.809 260 HB3 TRP 36 2HB TRP 36 -4.571 7.314 -14.315 261 HD1 TRP 36 HD TRP 36 -6.552 7.062 -12.568 262 HE1 TRP 36 1HE TRP 36 -7.077 8.251 -10.347 263 HE3 TRP 36 3HE TRP 36 -2.007 9.244 -11.721 264 HZ2 TRP 36 2HZ TRP 36 -5.742 9.898 -8.483 265 HZ3 TRP 36 3HZ TRP 36 -1.714 10.611 -9.696 266 HH2 TRP 36 HH TRP 36 -3.544 10.930 -8.112 267 H CYS 37 H CYS 37 -2.135 6.202 -10.951 268 HA CYS 37 HA CYS 37 0.270 7.593 -11.467 269 HB2 CYS 37 1HB CYS 37 -0.850 7.488 -9.246 270 HB3 CYS 37 2HB CYS 37 -0.374 5.799 -9.118 271 HG CYS 37 HG CYS 37 1.840 6.314 -7.945 272 H GLY 38 H GLY 38 1.967 6.863 -12.555 273 HA2 GLY 38 1HA GLY 38 2.392 4.278 -13.430 274 HA3 GLY 38 2HA GLY 38 3.661 5.482 -13.263 275 H HIS 39 H HIS 39 3.776 5.827 -10.545 276 HA HIS 39 HA HIS 39 5.466 3.844 -9.685 277 HB2 HIS 39 1HB HIS 39 3.802 5.866 -8.236 278 HB3 HIS 39 2HB HIS 39 4.684 4.656 -7.309 279 HD1 HIS 39 1HD HIS 39 5.355 7.684 -7.151 280 HD2 HIS 39 2HD HIS 39 7.298 4.950 -9.602 281 HE1 HIS 39 1HE HIS 39 7.613 8.687 -7.618 282 HE2 HIS 39 2HE HIS 39 8.738 7.055 -9.172 283 H CYS 40 H CYS 40 1.968 4.062 -9.203 284 HA CYS 40 HA CYS 40 1.655 1.877 -7.491 285 HB2 CYS 40 1HB CYS 40 -0.271 3.133 -7.650 286 HB3 CYS 40 2HB CYS 40 -0.124 3.334 -9.392 287 HG CYS 40 HG CYS 40 -0.920 0.305 -8.044 288 H LYS 41 H LYS 41 1.451 2.016 -11.040 289 HA LYS 41 HA LYS 41 0.791 -0.555 -11.652 290 HB2 LYS 41 1HB LYS 41 2.665 1.377 -12.983 291 HB3 LYS 41 2HB LYS 41 2.425 -0.233 -13.650 292 HG2 LYS 41 1HG LYS 41 0.799 0.789 -14.813 293 HG3 LYS 41 2HG LYS 41 -0.135 0.525 -13.339 294 HD2 LYS 41 1HD LYS 41 0.845 2.824 -12.622 295 HD3 LYS 41 2HD LYS 41 1.149 3.034 -14.348 296 HE2 LYS 41 1HE LYS 41 -0.977 4.012 -13.821 297 HE3 LYS 41 2HE LYS 41 -1.252 2.551 -14.769 298 HZ1 LYS 41 1HZ LYS 41 -1.358 1.567 -12.302 299 HZ2 LYS 41 2HZ LYS 41 -2.717 2.127 -13.137 300 HZ3 LYS 41 3HZ LYS 41 -1.947 3.126 -12.011 301 H GLN 42 H GLN 42 3.737 0.560 -10.225 302 HA GLN 42 HA GLN 42 5.110 -1.961 -10.719 303 HB2 GLN 42 1HB GLN 42 5.984 0.565 -9.310 304 HB3 GLN 42 2HB GLN 42 6.994 -0.863 -9.494 305 HG2 GLN 42 1HG GLN 42 6.429 -0.530 -12.039 306 HG3 GLN 42 2HG GLN 42 6.135 1.130 -11.522 307 HE21 GLN 42 1HE2 GLN 42 7.855 2.071 -12.498 308 HE22 GLN 42 2HE2 GLN 42 9.499 1.741 -12.084 309 H LEU 43 H LEU 43 3.386 -0.302 -8.206 310 HA LEU 43 HA LEU 43 4.323 -2.034 -6.095 311 HB2 LEU 43 1HB LEU 43 3.528 0.419 -5.922 312 HB3 LEU 43 2HB LEU 43 1.906 -0.271 -5.924 313 HG LEU 43 HG LEU 43 2.559 -1.602 -3.908 314 HD11 LEU 43 1HD1 LEU 43 5.123 -0.410 -4.525 315 HD12 LEU 43 2HD1 LEU 43 4.729 -1.748 -3.447 316 HD13 LEU 43 3HD1 LEU 43 4.629 -0.087 -2.863 317 HD21 LEU 43 1HD2 LEU 43 1.250 0.422 -3.686 318 HD22 LEU 43 2HD2 LEU 43 2.715 1.405 -3.710 319 HD23 LEU 43 3HD2 LEU 43 2.409 0.309 -2.361 320 H ALA 44 H ALA 44 1.911 -2.142 -8.495 321 HA ALA 44 HA ALA 44 -0.175 -3.521 -7.323 322 HB1 ALA 44 1HB ALA 44 -0.900 -3.402 -9.414 323 HB2 ALA 44 2HB ALA 44 0.718 -2.974 -9.970 324 HB3 ALA 44 3HB ALA 44 0.238 -4.669 -9.874 325 HA PRO 45 HA PRO 45 2.150 -7.669 -8.244 326 HB2 PRO 45 1HB PRO 45 4.803 -7.488 -8.793 327 HB3 PRO 45 2HB PRO 45 3.557 -7.434 -10.046 328 HG2 PRO 45 1HG PRO 45 5.045 -5.180 -8.757 329 HG3 PRO 45 2HG PRO 45 4.642 -5.421 -10.466 330 HD2 PRO 45 1HD PRO 45 3.231 -3.763 -8.856 331 HD3 PRO 45 2HD PRO 45 2.483 -4.659 -10.194 332 H ILE 46 H ILE 46 4.419 -5.262 -6.903 333 HA ILE 46 HA ILE 46 5.578 -6.903 -4.966 334 HB ILE 46 HB ILE 46 5.123 -3.924 -4.769 335 HG12 ILE 46 1HG1 ILE 46 7.710 -5.106 -5.657 336 HG13 ILE 46 2HG1 ILE 46 6.387 -5.073 -6.818 337 HG21 ILE 46 1HG2 ILE 46 6.231 -3.989 -2.848 338 HG22 ILE 46 2HG2 ILE 46 6.206 -5.750 -2.927 339 HG23 ILE 46 3HG2 ILE 46 7.566 -4.857 -3.607 340 HD11 ILE 46 1HD1 ILE 46 8.052 -2.903 -5.799 341 HD12 ILE 46 2HD1 ILE 46 7.166 -3.045 -7.317 342 HD13 ILE 46 3HD1 ILE 46 6.329 -2.534 -5.851 343 H TRP 47 H TRP 47 2.677 -4.893 -4.832 344 HA TRP 47 HA TRP 47 2.191 -5.310 -2.057 345 HB2 TRP 47 1HB TRP 47 1.282 -3.420 -3.502 346 HB3 TRP 47 2HB TRP 47 0.120 -4.585 -4.129 347 HD1 TRP 47 HD TRP 47 -2.112 -4.598 -2.891 348 HE1 TRP 47 1HE TRP 47 -2.936 -3.905 -0.553 349 HE3 TRP 47 3HE TRP 47 2.362 -3.239 -0.825 350 HZ2 TRP 47 2HZ TRP 47 -1.835 -2.912 1.849 351 HZ3 TRP 47 3HZ TRP 47 2.390 -2.428 1.498 352 HH2 TRP 47 HH TRP 47 0.334 -2.268 2.805 353 H ASP 48 H ASP 48 1.171 -6.926 -5.010 354 HA ASP 48 HA ASP 48 -0.750 -8.619 -3.754 355 HB2 ASP 48 1HB ASP 48 -1.154 -8.433 -6.021 356 HB3 ASP 48 2HB ASP 48 0.556 -8.500 -6.439 357 H LYS 49 H LYS 49 2.684 -8.778 -4.297 358 HA LYS 49 HA LYS 49 2.925 -11.585 -3.754 359 HB2 LYS 49 1HB LYS 49 4.888 -9.325 -4.032 360 HB3 LYS 49 2HB LYS 49 5.408 -10.916 -3.494 361 HG2 LYS 49 1HG LYS 49 5.068 -11.875 -5.535 362 HG3 LYS 49 2HG LYS 49 3.796 -10.735 -5.982 363 HD2 LYS 49 1HD LYS 49 5.595 -10.140 -7.349 364 HD3 LYS 49 2HD LYS 49 5.663 -8.974 -6.026 365 HE2 LYS 49 1HE LYS 49 7.278 -10.675 -4.933 366 HE3 LYS 49 2HE LYS 49 7.426 -11.337 -6.560 367 HZ1 LYS 49 1HZ LYS 49 8.645 -9.605 -7.238 368 HZ2 LYS 49 2HZ LYS 49 8.925 -9.336 -5.592 369 HZ3 LYS 49 3HZ LYS 49 7.717 -8.467 -6.397 370 H LEU 50 H LEU 50 2.881 -8.671 -1.876 371 HA LEU 50 HA LEU 50 3.990 -9.935 0.484 372 HB2 LEU 50 1HB LEU 50 4.601 -7.737 0.485 373 HB3 LEU 50 2HB LEU 50 3.100 -7.207 -0.272 374 HG LEU 50 HG LEU 50 1.971 -7.633 1.946 375 HD11 LEU 50 1HD1 LEU 50 3.970 -7.321 3.759 376 HD12 LEU 50 2HD1 LEU 50 4.718 -8.417 2.598 377 HD13 LEU 50 3HD1 LEU 50 3.194 -8.856 3.369 378 HD21 LEU 50 1HD2 LEU 50 2.653 -5.395 1.097 379 HD22 LEU 50 2HD2 LEU 50 4.166 -5.567 1.986 380 HD23 LEU 50 3HD2 LEU 50 2.632 -5.517 2.856 381 H GLY 51 H GLY 51 0.848 -9.004 -0.784 382 HA2 GLY 51 1HA GLY 51 -0.648 -9.341 1.584 383 HA3 GLY 51 2HA GLY 51 -1.285 -9.430 -0.051 384 H GLU 52 H GLU 52 0.246 -11.621 -0.970 385 HA GLU 52 HA GLU 52 -1.348 -13.762 -0.047 386 HB2 GLU 52 1HB GLU 52 -0.213 -15.105 -1.607 387 HB3 GLU 52 2HB GLU 52 -0.213 -13.500 -2.323 388 HG2 GLU 52 1HG GLU 52 2.069 -13.149 -1.679 389 HG3 GLU 52 2HG GLU 52 2.089 -14.662 -0.776 390 H THR 53 H THR 53 1.643 -12.453 1.033 391 HA THR 53 HA THR 53 2.622 -14.797 2.345 392 HB THR 53 HB THR 53 3.331 -11.880 2.683 393 HG1 THR 53 1HG THR 53 5.027 -13.867 1.637 394 HG21 THR 53 1HG2 THR 53 4.799 -14.270 3.798 395 HG22 THR 53 2HG2 THR 53 3.748 -13.221 4.749 396 HG23 THR 53 3HG2 THR 53 5.212 -12.569 4.011 397 H TYR 54 H TYR 54 0.636 -12.051 3.287 398 HA TYR 54 HA TYR 54 0.264 -13.299 5.931 399 HB2 TYR 54 1HB TYR 54 -0.038 -10.381 5.193 400 HB3 TYR 54 2HB TYR 54 -0.270 -11.069 6.796 401 HD1 TYR 54 2HD TYR 54 2.264 -10.443 4.165 402 HD2 TYR 54 1HD TYR 54 1.558 -11.402 8.250 403 HE1 TYR 54 2HE TYR 54 4.650 -10.097 4.653 404 HE2 TYR 54 1HE TYR 54 3.942 -11.057 8.749 405 HH TYR 54 HH TYR 54 6.127 -11.141 7.444 406 H LYS 55 H LYS 55 -1.162 -13.797 3.372 407 HA LYS 55 HA LYS 55 -3.748 -12.614 3.550 408 HB2 LYS 55 1HB LYS 55 -4.370 -14.067 1.777 409 HB3 LYS 55 2HB LYS 55 -2.700 -13.608 1.475 410 HG2 LYS 55 1HG LYS 55 -1.992 -15.760 2.506 411 HG3 LYS 55 2HG LYS 55 -3.694 -16.216 2.598 412 HD2 LYS 55 1HD LYS 55 -3.890 -16.469 0.327 413 HD3 LYS 55 2HD LYS 55 -2.610 -15.304 -0.021 414 HE2 LYS 55 1HE LYS 55 -1.509 -17.231 -0.541 415 HE3 LYS 55 2HE LYS 55 -1.121 -17.136 1.176 416 HZ1 LYS 55 1HZ LYS 55 -3.592 -18.503 0.608 417 HZ2 LYS 55 2HZ LYS 55 -2.312 -18.955 1.617 418 HZ3 LYS 55 3HZ LYS 55 -2.231 -19.268 -0.043 419 H ASP 56 H ASP 56 -2.260 -15.483 4.872 420 HA ASP 56 HA ASP 56 -4.818 -16.169 6.165 421 HB2 ASP 56 1HB ASP 56 -2.566 -17.906 5.187 422 HB3 ASP 56 2HB ASP 56 -3.674 -18.476 6.433 423 H HIS 57 H HIS 57 -2.731 -14.259 7.034 424 HA HIS 57 HA HIS 57 -1.233 -15.397 9.154 425 HB2 HIS 57 1HB HIS 57 -1.151 -13.017 7.890 426 HB3 HIS 57 2HB HIS 57 -2.016 -12.545 9.350 427 HD1 HIS 57 1HD HIS 57 -0.699 -12.489 11.538 428 HD2 HIS 57 2HD HIS 57 1.522 -13.846 8.300 429 HE1 HIS 57 1HE HIS 57 1.687 -12.532 12.330 430 HE2 HIS 57 2HE HIS 57 3.022 -13.275 10.328 431 H GLU 58 H GLU 58 -1.621 -14.040 11.410 432 HA GLU 58 HA GLU 58 -4.271 -14.953 12.277 433 HB2 GLU 58 1HB GLU 58 -3.393 -15.224 14.440 434 HB3 GLU 58 2HB GLU 58 -2.117 -15.791 13.372 435 HG2 GLU 58 1HG GLU 58 -1.024 -13.577 13.586 436 HG3 GLU 58 2HG GLU 58 -2.253 -13.129 14.766 437 H ASN 59 H ASN 59 -2.027 -12.225 12.707 438 HA ASN 59 HA ASN 59 -4.349 -10.542 13.384 439 HB2 ASN 59 1HB ASN 59 -2.891 -9.155 14.717 440 HB3 ASN 59 2HB ASN 59 -2.680 -10.829 15.221 441 HD21 ASN 59 1HD2 ASN 59 -0.739 -11.825 14.928 442 HD22 ASN 59 2HD2 ASN 59 0.677 -11.006 14.372 443 H ILE 60 H ILE 60 -1.554 -10.951 11.372 444 HA ILE 60 HA ILE 60 -1.652 -8.282 10.276 445 HB ILE 60 HB ILE 60 -0.150 -10.671 9.205 446 HG12 ILE 60 1HG1 ILE 60 0.773 -8.551 11.158 447 HG13 ILE 60 2HG1 ILE 60 0.439 -10.233 11.558 448 HG21 ILE 60 1HG2 ILE 60 0.775 -9.301 7.698 449 HG22 ILE 60 2HG2 ILE 60 -0.577 -8.227 8.053 450 HG23 ILE 60 3HG2 ILE 60 0.970 -7.995 8.867 451 HD11 ILE 60 1HD1 ILE 60 2.250 -10.928 10.060 452 HD12 ILE 60 2HD1 ILE 60 2.598 -9.233 9.718 453 HD13 ILE 60 3HD1 ILE 60 2.814 -9.866 11.350 454 H VAL 61 H VAL 61 -2.962 -7.632 8.710 455 HA VAL 61 HA VAL 61 -3.927 -9.593 6.745 456 HB VAL 61 HB VAL 61 -5.574 -7.785 8.462 457 HG11 VAL 61 1HG1 VAL 61 -6.294 -6.917 6.435 458 HG12 VAL 61 2HG1 VAL 61 -6.097 -8.454 5.591 459 HG13 VAL 61 3HG1 VAL 61 -7.434 -8.232 6.720 460 HG21 VAL 61 1HG2 VAL 61 -5.300 -10.272 8.827 461 HG22 VAL 61 2HG2 VAL 61 -6.960 -9.687 8.710 462 HG23 VAL 61 3HG2 VAL 61 -6.213 -10.501 7.335 463 H ILE 62 H ILE 62 -3.052 -8.922 4.894 464 HA ILE 62 HA ILE 62 -2.538 -6.132 4.375 465 HB ILE 62 HB ILE 62 -2.190 -8.558 2.610 466 HG12 ILE 62 1HG1 ILE 62 -0.761 -8.389 4.685 467 HG13 ILE 62 2HG1 ILE 62 0.133 -8.445 3.169 468 HG21 ILE 62 1HG2 ILE 62 -0.551 -6.397 1.800 469 HG22 ILE 62 2HG2 ILE 62 -1.854 -7.180 0.907 470 HG23 ILE 62 3HG2 ILE 62 -2.203 -5.795 1.941 471 HD11 ILE 62 1HD1 ILE 62 0.692 -6.717 5.096 472 HD12 ILE 62 2HD1 ILE 62 0.900 -6.327 3.388 473 HD13 ILE 62 3HD1 ILE 62 -0.536 -5.775 4.251 474 H ALA 63 H ALA 63 -3.596 -4.795 2.981 475 HA ALA 63 HA ALA 63 -5.729 -5.816 1.296 476 HB1 ALA 63 1HB ALA 63 -6.337 -3.757 3.412 477 HB2 ALA 63 2HB ALA 63 -7.462 -4.432 2.233 478 HB3 ALA 63 3HB ALA 63 -6.795 -5.458 3.502 479 H LYS 64 H LYS 64 -6.523 -4.242 -0.222 480 HA LYS 64 HA LYS 64 -4.816 -1.860 -0.495 481 HB2 LYS 64 1HB LYS 64 -4.573 -2.223 -2.849 482 HB3 LYS 64 2HB LYS 64 -4.105 -3.707 -2.032 483 HG2 LYS 64 1HG LYS 64 -6.183 -4.751 -2.599 484 HG3 LYS 64 2HG LYS 64 -6.816 -3.237 -3.250 485 HD2 LYS 64 1HD LYS 64 -5.039 -3.271 -4.966 486 HD3 LYS 64 2HD LYS 64 -4.492 -4.827 -4.338 487 HE2 LYS 64 1HE LYS 64 -6.806 -5.701 -4.788 488 HE3 LYS 64 2HE LYS 64 -7.141 -4.186 -5.623 489 HZ1 LYS 64 1HZ LYS 64 -5.928 -4.795 -7.389 490 HZ2 LYS 64 2HZ LYS 64 -6.160 -6.367 -6.812 491 HZ3 LYS 64 3HZ LYS 64 -4.726 -5.542 -6.462 492 H MET 65 H MET 65 -5.769 -0.053 -1.469 493 HA MET 65 HA MET 65 -8.586 -0.216 -2.209 494 HB2 MET 65 1HB MET 65 -8.337 0.304 0.288 495 HB3 MET 65 2HB MET 65 -7.685 1.857 -0.218 496 HG2 MET 65 1HG MET 65 -9.733 2.439 -1.303 497 HG3 MET 65 2HG MET 65 -10.387 0.824 -1.036 498 HE1 MET 65 1HE MET 65 -11.669 3.925 -0.019 499 HE2 MET 65 2HE MET 65 -10.948 4.388 1.523 500 HE3 MET 65 3HE MET 65 -9.946 4.294 0.073 501 H ASP 66 H ASP 66 -9.183 1.250 -3.737 502 HA ASP 66 HA ASP 66 -7.044 2.798 -4.948 503 HB2 ASP 66 1HB ASP 66 -9.760 2.960 -6.097 504 HB3 ASP 66 2HB ASP 66 -8.216 2.651 -6.887 505 H SER 67 H SER 67 -6.680 4.614 -3.770 506 HA SER 67 HA SER 67 -8.618 6.171 -2.483 507 HB2 SER 67 1HB SER 67 -6.028 6.198 -2.260 508 HB3 SER 67 2HB SER 67 -6.086 7.366 -3.581 509 HG SER 67 HG SER 67 -7.602 7.644 -1.204 510 H THR 68 H THR 68 -7.727 5.964 -5.796 511 HA THR 68 HA THR 68 -8.807 8.546 -6.524 512 HB THR 68 HB THR 68 -8.133 8.107 -8.717 513 HG1 THR 68 1HG THR 68 -8.095 5.330 -8.062 514 HG21 THR 68 1HG2 THR 68 -5.879 7.564 -8.542 515 HG22 THR 68 2HG2 THR 68 -6.170 6.328 -7.317 516 HG23 THR 68 3HG2 THR 68 -6.286 8.036 -6.893 517 H ALA 69 H ALA 69 -10.087 5.521 -5.833 518 HA ALA 69 HA ALA 69 -12.545 6.155 -7.332 519 HB1 ALA 69 1HB ALA 69 -12.966 3.846 -7.692 520 HB2 ALA 69 2HB ALA 69 -11.295 4.145 -8.174 521 HB3 ALA 69 3HB ALA 69 -11.641 3.372 -6.627 522 H ASN 70 H ASN 70 -11.107 5.635 -4.315 523 HA ASN 70 HA ASN 70 -13.747 5.624 -3.040 524 HB2 ASN 70 1HB ASN 70 -11.457 3.948 -2.008 525 HB3 ASN 70 2HB ASN 70 -13.125 3.953 -1.445 526 HD21 ASN 70 1HD2 ASN 70 -10.894 2.734 -3.740 527 HD22 ASN 70 2HD2 ASN 70 -11.979 1.670 -4.562 528 H GLU 71 H GLU 71 -13.821 7.534 -2.050 529 HA GLU 71 HA GLU 71 -11.400 8.544 -0.729 530 HB2 GLU 71 1HB GLU 71 -12.841 9.876 -2.489 531 HB3 GLU 71 2HB GLU 71 -13.859 10.204 -1.093 532 HG2 GLU 71 1HG GLU 71 -11.888 11.126 0.078 533 HG3 GLU 71 2HG GLU 71 -10.943 10.884 -1.390 534 H VAL 72 H VAL 72 -11.327 8.898 1.426 535 HA VAL 72 HA VAL 72 -13.793 8.682 2.991 536 HB VAL 72 HB VAL 72 -12.573 7.217 4.645 537 HG11 VAL 72 1HG1 VAL 72 -12.985 5.140 3.363 538 HG12 VAL 72 2HG1 VAL 72 -14.305 6.304 3.236 539 HG13 VAL 72 3HG1 VAL 72 -13.166 6.111 1.903 540 HG21 VAL 72 1HG2 VAL 72 -10.335 7.242 4.190 541 HG22 VAL 72 2HG2 VAL 72 -10.791 5.778 3.319 542 HG23 VAL 72 3HG2 VAL 72 -10.577 7.294 2.444 543 H GLU 73 H GLU 73 -13.699 9.657 5.046 544 HA GLU 73 HA GLU 73 -11.774 11.806 5.217 545 HB2 GLU 73 1HB GLU 73 -13.131 12.644 7.030 546 HB3 GLU 73 2HB GLU 73 -14.180 12.162 5.704 547 HG2 GLU 73 1HG GLU 73 -14.858 10.196 6.835 548 HG3 GLU 73 2HG GLU 73 -13.607 10.392 8.062 549 H ALA 74 H ALA 74 -12.381 8.745 6.755 550 HA ALA 74 HA ALA 74 -10.898 9.100 9.113 551 HB1 ALA 74 1HB ALA 74 -12.422 7.099 8.111 552 HB2 ALA 74 2HB ALA 74 -10.807 6.416 7.921 553 HB3 ALA 74 3HB ALA 74 -11.362 6.937 9.512 554 H VAL 75 H VAL 75 -9.865 9.069 5.916 555 HA VAL 75 HA VAL 75 -7.093 9.063 6.732 556 HB VAL 75 HB VAL 75 -8.217 6.892 4.984 557 HG11 VAL 75 1HG1 VAL 75 -5.676 6.409 4.610 558 HG12 VAL 75 2HG1 VAL 75 -6.523 7.558 3.573 559 HG13 VAL 75 3HG1 VAL 75 -5.508 8.142 4.892 560 HG21 VAL 75 1HG2 VAL 75 -6.483 5.616 6.436 561 HG22 VAL 75 2HG2 VAL 75 -6.565 7.039 7.474 562 HG23 VAL 75 3HG2 VAL 75 -8.021 6.099 7.151 563 H LYS 76 H LYS 76 -6.327 10.819 5.774 564 HA LYS 76 HA LYS 76 -7.426 11.666 3.201 565 HB2 LYS 76 1HB LYS 76 -5.770 13.049 5.301 566 HB3 LYS 76 2HB LYS 76 -5.998 13.742 3.700 567 HG2 LYS 76 1HG LYS 76 -8.333 12.938 5.397 568 HG3 LYS 76 2HG LYS 76 -7.548 14.508 5.584 569 HD2 LYS 76 1HD LYS 76 -8.282 15.269 3.560 570 HD3 LYS 76 2HD LYS 76 -8.306 13.658 2.840 571 HE2 LYS 76 1HE LYS 76 -10.222 14.238 5.036 572 HE3 LYS 76 2HE LYS 76 -10.533 14.958 3.457 573 HZ1 LYS 76 1HZ LYS 76 -10.243 12.069 4.072 574 HZ2 LYS 76 2HZ LYS 76 -10.352 12.695 2.505 575 HZ3 LYS 76 3HZ LYS 76 -11.649 12.870 3.576 576 H VAL 77 H VAL 77 -6.357 11.430 1.348 577 HA VAL 77 HA VAL 77 -3.461 10.891 1.459 578 HB VAL 77 HB VAL 77 -5.312 9.664 -0.579 579 HG11 VAL 77 1HG1 VAL 77 -3.065 9.721 -1.339 580 HG12 VAL 77 2HG1 VAL 77 -2.452 9.181 0.226 581 HG13 VAL 77 3HG1 VAL 77 -3.373 8.073 -0.792 582 HG21 VAL 77 1HG2 VAL 77 -5.957 8.883 1.653 583 HG22 VAL 77 2HG2 VAL 77 -5.217 7.594 0.704 584 HG23 VAL 77 3HG2 VAL 77 -4.288 8.404 1.965 585 H HIS 78 H HIS 78 -2.450 12.576 0.593 586 HA HIS 78 HA HIS 78 -3.670 13.922 -1.723 587 HB2 HIS 78 1HB HIS 78 -1.537 15.005 0.126 588 HB3 HIS 78 2HB HIS 78 -2.403 15.893 -1.125 589 HD1 HIS 78 1HD HIS 78 -5.221 15.655 -0.620 590 HD2 HIS 78 2HD HIS 78 -2.533 15.621 2.547 591 HE1 HIS 78 1HE HIS 78 -6.564 16.295 1.408 592 HE2 HIS 78 2HE HIS 78 -4.898 16.351 3.297 593 H SER 79 H SER 79 -1.923 11.458 -1.593 594 HA SER 79 HA SER 79 -0.344 12.043 -3.886 595 HB2 SER 79 1HB SER 79 0.982 11.948 -1.211 596 HB3 SER 79 2HB SER 79 1.817 11.218 -2.583 597 HG SER 79 HG SER 79 1.145 13.416 -3.581 598 H PHE 80 H PHE 80 1.075 10.091 -4.454 599 HA PHE 80 HA PHE 80 0.407 7.577 -3.259 600 HB2 PHE 80 1HB PHE 80 -0.566 7.896 -6.086 601 HB3 PHE 80 2HB PHE 80 -0.950 6.629 -4.925 602 HD1 PHE 80 1HD PHE 80 -2.573 7.020 -3.149 603 HD2 PHE 80 2HD PHE 80 -1.741 9.983 -6.088 604 HE1 PHE 80 1HE PHE 80 -4.626 8.220 -2.515 605 HE2 PHE 80 2HE PHE 80 -3.791 11.189 -5.458 606 HZ PHE 80 HZ PHE 80 -5.236 10.308 -3.669 607 HA PRO 81 HA PRO 81 0.377 5.389 -4.126 608 HB2 PRO 81 1HB PRO 81 2.140 3.557 -3.175 609 HB3 PRO 81 2HB PRO 81 1.588 3.578 -4.854 610 HG2 PRO 81 1HG PRO 81 4.129 4.641 -3.682 611 HG3 PRO 81 2HG PRO 81 3.886 3.725 -5.181 612 HD2 PRO 81 1HD PRO 81 4.210 6.413 -5.153 613 HD3 PRO 81 2HD PRO 81 3.199 5.586 -6.355 614 H THR 82 H THR 82 -0.325 5.149 -2.033 615 HA THR 82 HA THR 82 1.402 6.242 0.089 616 HB THR 82 HB THR 82 -1.557 6.729 -0.288 617 HG1 THR 82 1HG THR 82 0.684 8.493 -0.211 618 HG21 THR 82 1HG2 THR 82 -1.749 7.466 1.844 619 HG22 THR 82 2HG2 THR 82 -0.097 8.083 1.890 620 HG23 THR 82 3HG2 THR 82 -0.403 6.363 2.126 621 H LEU 83 H LEU 83 1.731 4.877 1.712 622 HA LEU 83 HA LEU 83 -0.160 2.649 2.072 623 HB2 LEU 83 1HB LEU 83 2.736 2.786 2.893 624 HB3 LEU 83 2HB LEU 83 1.674 1.386 3.020 625 HG LEU 83 HG LEU 83 2.664 2.646 0.463 626 HD11 LEU 83 1HD1 LEU 83 3.295 -0.044 1.665 627 HD12 LEU 83 2HD1 LEU 83 4.347 1.367 1.765 628 HD13 LEU 83 3HD1 LEU 83 3.974 0.656 0.195 629 HD21 LEU 83 1HD2 LEU 83 0.562 1.808 -0.083 630 HD22 LEU 83 2HD2 LEU 83 0.710 0.443 1.024 631 HD23 LEU 83 3HD2 LEU 83 1.648 0.473 -0.470 632 H LYS 84 H LYS 84 -1.029 2.244 4.049 633 HA LYS 84 HA LYS 84 -0.121 3.840 6.334 634 HB2 LYS 84 1HB LYS 84 -3.029 3.570 5.558 635 HB3 LYS 84 2HB LYS 84 -2.383 4.480 6.917 636 HG2 LYS 84 1HG LYS 84 -1.054 5.703 4.974 637 HG3 LYS 84 2HG LYS 84 -2.443 5.154 4.034 638 HD2 LYS 84 1HD LYS 84 -3.946 6.233 5.649 639 HD3 LYS 84 2HD LYS 84 -2.546 6.801 6.562 640 HE2 LYS 84 1HE LYS 84 -1.875 7.775 4.186 641 HE3 LYS 84 2HE LYS 84 -3.621 7.718 3.948 642 HZ1 LYS 84 1HZ LYS 84 -2.392 9.783 5.039 643 HZ2 LYS 84 2HZ LYS 84 -2.678 8.886 6.444 644 HZ3 LYS 84 3HZ LYS 84 -3.972 9.344 5.455 645 H PHE 85 H PHE 85 0.155 2.611 8.071 646 HA PHE 85 HA PHE 85 -0.929 -0.096 8.075 647 HB2 PHE 85 1HB PHE 85 1.426 0.073 8.554 648 HB3 PHE 85 2HB PHE 85 1.132 1.265 9.816 649 HD1 PHE 85 2HD PHE 85 0.942 -2.279 8.920 650 HD2 PHE 85 1HD PHE 85 0.347 0.607 11.991 651 HE1 PHE 85 2HE PHE 85 0.801 -4.085 10.585 652 HE2 PHE 85 1HE PHE 85 0.207 -1.194 13.662 653 HZ PHE 85 HZ PHE 85 0.433 -3.544 12.959 654 H PHE 86 H PHE 86 -2.536 -0.764 9.356 655 HA PHE 86 HA PHE 86 -3.604 1.153 11.315 656 HB2 PHE 86 1HB PHE 86 -5.023 -1.141 9.944 657 HB3 PHE 86 2HB PHE 86 -5.757 0.027 11.037 658 HD1 PHE 86 1HD PHE 86 -3.686 2.123 9.532 659 HD2 PHE 86 2HD PHE 86 -6.967 -0.370 8.468 660 HE1 PHE 86 1HE PHE 86 -4.181 3.596 7.624 661 HE2 PHE 86 2HE PHE 86 -7.468 1.098 6.558 662 HZ PHE 86 HZ PHE 86 -6.074 3.083 6.133 663 HA PRO 87 HA PRO 87 -1.983 -1.925 14.190 664 HB2 PRO 87 1HB PRO 87 -2.197 -0.317 16.367 665 HB3 PRO 87 2HB PRO 87 -0.854 -0.210 15.222 666 HG2 PRO 87 1HG PRO 87 -3.322 1.475 15.411 667 HG3 PRO 87 2HG PRO 87 -1.644 1.975 15.126 668 HD2 PRO 87 1HD PRO 87 -3.457 1.749 13.128 669 HD3 PRO 87 2HD PRO 87 -1.728 1.424 12.890 670 H ALA 88 H ALA 88 -2.936 -3.222 15.756 671 HA ALA 88 HA ALA 88 -5.757 -3.441 15.685 672 HB1 ALA 88 1HB ALA 88 -3.615 -4.792 17.288 673 HB2 ALA 88 2HB ALA 88 -5.324 -5.110 17.590 674 HB3 ALA 88 3HB ALA 88 -4.629 -5.454 16.006 675 H SER 89 H SER 89 -6.502 -1.376 16.378 676 HA SER 89 HA SER 89 -6.617 -1.146 19.296 677 HB2 SER 89 1HB SER 89 -4.902 0.452 18.057 678 HB3 SER 89 2HB SER 89 -6.363 1.381 17.722 679 HG SER 89 HG SER 89 -6.759 1.303 20.026 680 H ALA 90 H ALA 90 -8.621 -0.815 20.019 681 HA ALA 90 HA ALA 90 -10.881 -0.981 18.470 682 HB1 ALA 90 1HB ALA 90 -11.831 0.436 20.572 683 HB2 ALA 90 2HB ALA 90 -11.498 -1.296 20.609 684 HB3 ALA 90 3HB ALA 90 -10.305 -0.155 21.230 685 H ASP 91 H ASP 91 -8.819 1.715 18.864 686 HA ASP 91 HA ASP 91 -10.842 3.618 17.959 687 HB2 ASP 91 1HB ASP 91 -8.967 4.004 19.781 688 HB3 ASP 91 2HB ASP 91 -7.981 4.378 18.370 689 H ARG 92 H ARG 92 -10.359 5.054 16.144 690 HA ARG 92 HA ARG 92 -9.360 3.541 13.897 691 HB2 ARG 92 1HB ARG 92 -10.663 6.245 14.165 692 HB3 ARG 92 2HB ARG 92 -10.042 5.651 12.631 693 HG2 ARG 92 1HG ARG 92 -11.677 4.066 12.421 694 HG3 ARG 92 2HG ARG 92 -11.923 3.933 14.164 695 HD2 ARG 92 1HD ARG 92 -12.965 6.171 14.153 696 HD3 ARG 92 2HD ARG 92 -12.777 6.226 12.401 697 HE ARG 92 HE ARG 92 -14.165 3.939 12.802 698 HH11 ARG 92 2HH1 ARG 92 -14.620 7.230 13.844 699 HH12 ARG 92 1HH1 ARG 92 -16.348 7.114 13.891 700 HH21 ARG 92 2HH2 ARG 92 -16.440 3.774 12.860 701 HH22 ARG 92 1HH2 ARG 92 -17.382 5.148 13.332 702 H THR 93 H THR 93 -7.145 3.549 14.941 703 HA THR 93 HA THR 93 -5.668 6.037 14.548 704 HB THR 93 HB THR 93 -4.661 3.402 15.635 705 HG1 THR 93 1HG THR 93 -4.843 4.624 17.674 706 HG21 THR 93 1HG2 THR 93 -2.939 5.008 16.660 707 HG22 THR 93 2HG2 THR 93 -3.494 6.164 15.449 708 HG23 THR 93 3HG2 THR 93 -2.786 4.630 14.945 709 H VAL 94 H VAL 94 -4.046 6.306 13.064 710 HA VAL 94 HA VAL 94 -3.551 4.085 11.196 711 HB VAL 94 HB VAL 94 -4.165 6.955 10.514 712 HG11 VAL 94 1HG1 VAL 94 -3.641 6.259 8.147 713 HG12 VAL 94 2HG1 VAL 94 -2.247 6.462 9.210 714 HG13 VAL 94 3HG1 VAL 94 -2.839 4.845 8.828 715 HG21 VAL 94 1HG2 VAL 94 -5.322 4.492 9.258 716 HG22 VAL 94 2HG2 VAL 94 -5.962 5.127 10.775 717 HG23 VAL 94 3HG2 VAL 94 -5.986 6.125 9.321 718 H ILE 95 H ILE 95 -1.473 3.792 10.576 719 HA ILE 95 HA ILE 95 0.510 5.684 11.656 720 HB ILE 95 HB ILE 95 0.719 2.714 11.171 721 HG12 ILE 95 1HG1 ILE 95 0.870 4.450 13.641 722 HG13 ILE 95 2HG1 ILE 95 -0.351 3.240 13.261 723 HG21 ILE 95 1HG2 ILE 95 2.772 3.867 10.443 724 HG22 ILE 95 2HG2 ILE 95 2.906 4.597 12.042 725 HG23 ILE 95 3HG2 ILE 95 3.035 2.848 11.858 726 HD11 ILE 95 1HD1 ILE 95 1.513 1.537 13.327 727 HD12 ILE 95 2HD1 ILE 95 2.514 2.807 14.032 728 HD13 ILE 95 3HD1 ILE 95 1.056 2.268 14.866 729 H ASP 96 H ASP 96 1.909 6.641 10.309 730 HA ASP 96 HA ASP 96 1.567 6.310 7.475 731 HB2 ASP 96 1HB ASP 96 3.087 8.163 7.248 732 HB3 ASP 96 2HB ASP 96 1.984 8.519 8.574 733 H TYR 97 H TYR 97 2.786 5.182 6.089 734 HA TYR 97 HA TYR 97 5.099 3.738 7.185 735 HB2 TYR 97 1HB TYR 97 3.231 2.379 6.266 736 HB3 TYR 97 2HB TYR 97 3.493 3.127 4.694 737 HD1 TYR 97 1HD TYR 97 6.001 2.944 3.820 738 HD2 TYR 97 2HD TYR 97 4.217 0.332 6.666 739 HE1 TYR 97 1HE TYR 97 7.668 1.220 3.273 740 HE2 TYR 97 2HE TYR 97 5.880 -1.398 6.128 741 HH TYR 97 HH TYR 97 8.688 -0.796 4.461 742 H ASN 98 H ASN 98 6.931 4.805 6.793 743 HA ASN 98 HA ASN 98 7.401 5.772 4.051 744 HB2 ASN 98 1HB ASN 98 8.558 7.068 6.520 745 HB3 ASN 98 2HB ASN 98 8.576 7.681 4.869 746 HD21 ASN 98 1HD2 ASN 98 6.585 7.065 7.673 747 HD22 ASN 98 2HD2 ASN 98 5.307 8.146 7.243 748 H GLY 99 H GLY 99 8.144 3.330 4.283 749 HA2 GLY 99 1HA GLY 99 10.968 3.316 5.144 750 HA3 GLY 99 2HA GLY 99 9.947 1.888 5.046 751 H GLU 100 H GLU 100 11.392 0.791 3.708 752 HA GLU 100 HA GLU 100 12.386 1.889 1.280 753 HB2 GLU 100 1HB GLU 100 13.039 -0.453 0.765 754 HB3 GLU 100 2HB GLU 100 13.582 0.088 2.347 755 HG2 GLU 100 1HG GLU 100 11.369 -1.023 3.167 756 HG3 GLU 100 2HG GLU 100 11.482 -1.902 1.644 757 H ARG 101 H ARG 101 9.402 0.474 2.187 758 HA ARG 101 HA ARG 101 7.501 -0.036 1.047 759 HB2 ARG 101 1HB ARG 101 8.843 1.995 -0.657 760 HB3 ARG 101 2HB ARG 101 7.520 1.092 -1.384 761 HG2 ARG 101 1HG ARG 101 6.188 1.746 0.709 762 HG3 ARG 101 2HG ARG 101 7.461 2.939 0.969 763 HD2 ARG 101 1HD ARG 101 6.976 3.493 -1.565 764 HD3 ARG 101 2HD ARG 101 5.410 2.778 -1.181 765 HE ARG 101 HE ARG 101 5.753 4.546 0.819 766 HH11 ARG 101 2HH1 ARG 101 6.023 4.821 -2.641 767 HH12 ARG 101 1HH1 ARG 101 5.550 6.487 -2.676 768 HH21 ARG 101 2HH2 ARG 101 5.129 6.740 0.786 769 HH22 ARG 101 1HH2 ARG 101 5.042 7.578 -0.726 770 H THR 102 H THR 102 9.324 -2.039 1.007 771 HA THR 102 HA THR 102 9.036 -3.136 -1.713 772 HB THR 102 HB THR 102 11.119 -4.321 -1.500 773 HG1 THR 102 1HG THR 102 12.423 -3.827 0.453 774 HG21 THR 102 1HG2 THR 102 12.581 -2.134 -0.788 775 HG22 THR 102 2HG2 THR 102 11.024 -1.403 -1.176 776 HG23 THR 102 3HG2 THR 102 11.862 -2.384 -2.378 777 H LEU 103 H LEU 103 8.931 -5.501 -1.804 778 HA LEU 103 HA LEU 103 6.960 -6.586 -0.219 779 HB2 LEU 103 1HB LEU 103 7.610 -7.549 -2.341 780 HB3 LEU 103 2HB LEU 103 9.180 -8.004 -1.682 781 HG LEU 103 HG LEU 103 8.068 -9.599 -0.176 782 HD11 LEU 103 1HD1 LEU 103 5.703 -8.211 -1.134 783 HD12 LEU 103 2HD1 LEU 103 5.925 -9.222 0.294 784 HD13 LEU 103 3HD1 LEU 103 5.563 -9.964 -1.264 785 HD21 LEU 103 1HD2 LEU 103 8.874 -10.238 -2.451 786 HD22 LEU 103 2HD2 LEU 103 7.226 -10.017 -3.039 787 HD23 LEU 103 3HD2 LEU 103 7.572 -11.253 -1.828 788 H ASP 104 H ASP 104 10.472 -7.071 0.100 789 HA ASP 104 HA ASP 104 10.230 -8.608 2.496 790 HB2 ASP 104 1HB ASP 104 12.483 -7.446 0.920 791 HB3 ASP 104 2HB ASP 104 12.791 -7.930 2.585 792 H GLY 105 H GLY 105 10.777 -5.219 1.748 793 HA2 GLY 105 1HA GLY 105 11.557 -4.390 4.337 794 HA3 GLY 105 2HA GLY 105 10.891 -3.354 3.083 795 H PHE 106 H PHE 106 8.409 -4.841 2.846 796 HA PHE 106 HA PHE 106 6.901 -3.474 4.808 797 HB2 PHE 106 1HB PHE 106 6.141 -5.663 2.869 798 HB3 PHE 106 2HB PHE 106 4.981 -4.822 3.892 799 HD1 PHE 106 2HD PHE 106 5.686 -2.071 3.767 800 HD2 PHE 106 1HD PHE 106 5.883 -5.006 0.690 801 HE1 PHE 106 2HE PHE 106 5.474 -0.302 2.070 802 HE2 PHE 106 1HE PHE 106 5.672 -3.242 -1.012 803 HZ PHE 106 HZ PHE 106 5.466 -0.886 -0.322 804 H LYS 107 H LYS 107 7.891 -6.847 4.455 805 HA LYS 107 HA LYS 107 6.413 -7.976 6.521 806 HB2 LYS 107 1HB LYS 107 9.239 -8.820 5.939 807 HB3 LYS 107 2HB LYS 107 7.867 -9.819 6.403 808 HG2 LYS 107 1HG LYS 107 6.916 -8.912 4.098 809 HG3 LYS 107 2HG LYS 107 8.639 -8.766 3.745 810 HD2 LYS 107 1HD LYS 107 8.660 -11.220 4.765 811 HD3 LYS 107 2HD LYS 107 6.985 -11.190 4.207 812 HE2 LYS 107 1HE LYS 107 7.962 -11.944 2.301 813 HE3 LYS 107 2HE LYS 107 8.152 -10.213 2.023 814 HZ1 LYS 107 1HZ LYS 107 10.196 -12.095 3.063 815 HZ2 LYS 107 2HZ LYS 107 10.393 -10.416 3.046 816 HZ3 LYS 107 3HZ LYS 107 10.224 -11.262 1.591 817 H LYS 108 H LYS 108 9.563 -6.365 6.615 818 HA LYS 108 HA LYS 108 10.175 -6.864 9.303 819 HB2 LYS 108 1HB LYS 108 10.934 -4.323 7.882 820 HB3 LYS 108 2HB LYS 108 11.842 -5.208 9.100 821 HG2 LYS 108 1HG LYS 108 12.059 -7.072 7.420 822 HG3 LYS 108 2HG LYS 108 11.403 -5.953 6.223 823 HD2 LYS 108 1HD LYS 108 13.763 -5.833 6.035 824 HD3 LYS 108 2HD LYS 108 13.254 -4.364 6.870 825 HE2 LYS 108 1HE LYS 108 13.975 -6.733 8.513 826 HE3 LYS 108 2HE LYS 108 15.278 -5.839 7.733 827 HZ1 LYS 108 1HZ LYS 108 15.160 -4.385 9.379 828 HZ2 LYS 108 2HZ LYS 108 13.822 -5.170 10.053 829 HZ3 LYS 108 3HZ LYS 108 13.596 -3.962 8.890 830 H PHE 109 H PHE 109 8.479 -4.132 7.796 831 HA PHE 109 HA PHE 109 8.069 -2.652 10.148 832 HB2 PHE 109 1HB PHE 109 7.782 -1.764 7.838 833 HB3 PHE 109 2HB PHE 109 6.307 -2.714 7.690 834 HD1 PHE 109 1HD PHE 109 4.337 -2.162 9.066 835 HD2 PHE 109 2HD PHE 109 7.823 0.281 9.042 836 HE1 PHE 109 1HE PHE 109 3.047 -0.318 10.060 837 HE2 PHE 109 2HE PHE 109 6.539 2.129 10.036 838 HZ PHE 109 HZ PHE 109 4.148 1.831 10.547 839 H LEU 110 H LEU 110 6.030 -5.053 8.517 840 HA LEU 110 HA LEU 110 3.877 -4.875 10.354 841 HB2 LEU 110 1HB LEU 110 4.672 -7.111 8.495 842 HB3 LEU 110 2HB LEU 110 3.134 -7.001 9.349 843 HG LEU 110 HG LEU 110 4.025 -4.889 7.405 844 HD11 LEU 110 1HD1 LEU 110 4.057 -6.811 6.060 845 HD12 LEU 110 2HD1 LEU 110 2.463 -6.102 5.806 846 HD13 LEU 110 3HD1 LEU 110 2.647 -7.502 6.863 847 HD21 LEU 110 1HD2 LEU 110 1.304 -5.746 8.385 848 HD22 LEU 110 2HD2 LEU 110 1.651 -4.405 7.293 849 HD23 LEU 110 3HD2 LEU 110 2.206 -4.346 8.966 850 H GLU 111 H GLU 111 6.194 -7.551 9.880 851 HA GLU 111 HA GLU 111 5.668 -9.143 11.972 852 HB2 GLU 111 1HB GLU 111 8.349 -8.269 10.916 853 HB3 GLU 111 2HB GLU 111 8.202 -9.491 12.172 854 HG2 GLU 111 1HG GLU 111 6.517 -10.548 10.423 855 HG3 GLU 111 2HG GLU 111 7.514 -9.630 9.295 856 H SER 112 H SER 112 7.223 -6.004 12.166 857 HA SER 112 HA SER 112 7.929 -6.220 14.927 858 HB2 SER 112 1HB SER 112 7.684 -3.801 13.124 859 HB3 SER 112 2HB SER 112 8.356 -3.772 14.754 860 HG SER 112 HG SER 112 9.464 -4.674 12.401 861 H GLY 113 H GLY 113 5.251 -4.746 13.141 862 HA2 GLY 113 1HA GLY 113 3.033 -4.850 14.148 863 HA3 GLY 113 2HA GLY 113 3.795 -4.545 15.702 864 H GLY 114 H GLY 114 4.558 -2.857 12.706 865 HA2 GLY 114 1HA GLY 114 4.415 -0.636 12.145 866 HA3 GLY 114 2HA GLY 114 2.877 -0.647 12.996 867 H GLN 115 H GLN 115 6.203 -1.089 14.172 868 HA GLN 115 HA GLN 115 5.676 0.818 16.298 869 HB2 GLN 115 1HB GLN 115 7.591 -0.018 17.364 870 HB3 GLN 115 2HB GLN 115 6.883 -1.426 16.583 871 HG2 GLN 115 1HG GLN 115 8.481 -1.218 14.751 872 HG3 GLN 115 2HG GLN 115 9.191 0.194 15.531 873 HE21 GLN 115 1HE2 GLN 115 10.883 -1.739 14.972 874 HE22 GLN 115 2HE2 GLN 115 11.335 -2.633 16.379 875 H SER 116 H SER 116 7.786 0.472 13.491 876 HA SER 116 HA SER 116 9.520 2.564 13.805 877 HB2 SER 116 1HB SER 116 9.211 0.879 11.830 878 HB3 SER 116 2HB SER 116 8.211 2.155 11.134 879 HG SER 116 HG SER 116 9.980 3.534 11.206 880 H GLY 117 H GLY 117 9.500 4.759 13.531 881 HA2 GLY 117 1HA GLY 117 7.922 6.481 12.277 882 HA3 GLY 117 2HA GLY 117 6.865 6.009 13.600 883 HA PRO 118 HA PRO 118 9.735 9.562 14.812 884 HB2 PRO 118 1HB PRO 118 7.811 11.453 15.112 885 HB3 PRO 118 2HB PRO 118 8.650 11.171 13.582 886 HG2 PRO 118 1HG PRO 118 5.954 10.217 14.468 887 HG3 PRO 118 2HG PRO 118 6.447 10.875 12.897 888 HD2 PRO 118 1HD PRO 118 6.154 8.220 13.337 889 HD3 PRO 118 2HD PRO 118 7.352 8.873 12.201 890 H SER 119 H SER 119 9.471 10.918 16.850 891 HA SER 119 HA SER 119 7.702 9.668 18.822 892 HB2 SER 119 1HB SER 119 9.896 8.513 18.955 893 HB3 SER 119 2HB SER 119 10.671 10.066 19.268 894 HG SER 119 HG SER 119 10.101 8.744 21.159 895 H SER 120 H SER 120 6.497 11.343 19.442 896 HA SER 120 HA SER 120 7.779 13.951 19.851 897 HB2 SER 120 1HB SER 120 5.537 14.900 19.764 898 HB3 SER 120 2HB SER 120 5.796 13.867 18.358 899 HG SER 120 HG SER 120 4.795 12.215 19.952 900 H GLY 121 H GLY 121 8.746 13.395 21.862 901 HA2 GLY 121 1HA GLY 121 6.801 13.338 24.084 902 HA3 GLY 121 2HA GLY 121 8.251 12.346 24.107 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -15.345 -22.241 4.740 2 HA2 GLY 1 1HA GLY 1 -15.116 -21.790 1.866 3 HA3 GLY 1 2HA GLY 1 -14.229 -20.685 2.907 4 H SER 2 H SER 2 -14.347 -23.834 1.522 5 HA SER 2 HA SER 2 -12.280 -24.984 3.138 6 HB2 SER 2 1HB SER 2 -14.122 -26.166 1.704 7 HB3 SER 2 2HB SER 2 -12.959 -25.984 0.391 8 HG SER 2 HG SER 2 -12.594 -27.949 1.382 9 H SER 3 H SER 3 -10.524 -23.589 3.075 10 HA SER 3 HA SER 3 -8.728 -22.450 2.202 11 HB2 SER 3 1HB SER 3 -7.171 -23.909 1.062 12 HB3 SER 3 2HB SER 3 -8.016 -24.848 2.293 13 HG SER 3 HG SER 3 -8.067 -26.063 0.461 14 H GLY 4 H GLY 4 -11.086 -21.697 0.889 15 HA2 GLY 4 1HA GLY 4 -10.195 -21.437 -1.915 16 HA3 GLY 4 2HA GLY 4 -11.874 -21.376 -1.400 17 H SER 5 H SER 5 -8.928 -19.734 -0.252 18 HA SER 5 HA SER 5 -10.043 -17.352 0.484 19 HB2 SER 5 1HB SER 5 -7.602 -18.115 0.684 20 HB3 SER 5 2HB SER 5 -7.383 -17.454 -0.936 21 HG SER 5 HG SER 5 -8.136 -15.439 -0.099 22 H SER 6 H SER 6 -8.675 -18.069 -2.729 23 HA SER 6 HA SER 6 -9.063 -17.175 -4.784 24 HB2 SER 6 1HB SER 6 -11.474 -17.757 -3.957 25 HB3 SER 6 2HB SER 6 -11.653 -16.009 -3.811 26 HG SER 6 HG SER 6 -10.582 -16.988 -6.187 27 H GLY 7 H GLY 7 -7.665 -15.616 -2.794 28 HA2 GLY 7 1HA GLY 7 -7.339 -13.211 -4.145 29 HA3 GLY 7 2HA GLY 7 -8.494 -12.903 -2.857 30 HA PRO 8 HA PRO 8 -3.948 -13.683 -1.265 31 HB2 PRO 8 1HB PRO 8 -2.316 -11.909 -2.514 32 HB3 PRO 8 2HB PRO 8 -2.558 -13.562 -3.091 33 HG2 PRO 8 1HG PRO 8 -3.818 -11.020 -4.045 34 HG3 PRO 8 2HG PRO 8 -3.177 -12.375 -4.992 35 HD2 PRO 8 1HD PRO 8 -5.824 -12.050 -4.522 36 HD3 PRO 8 2HD PRO 8 -5.073 -13.650 -4.686 37 H VAL 9 H VAL 9 -4.893 -10.470 -2.497 38 HA VAL 9 HA VAL 9 -4.556 -9.424 0.240 39 HB VAL 9 HB VAL 9 -2.916 -8.276 -0.921 40 HG11 VAL 9 1HG1 VAL 9 -3.505 -9.200 -3.134 41 HG12 VAL 9 2HG1 VAL 9 -4.772 -7.980 -3.280 42 HG13 VAL 9 3HG1 VAL 9 -3.079 -7.491 -3.200 43 HG21 VAL 9 1HG2 VAL 9 -4.910 -6.275 -1.713 44 HG22 VAL 9 2HG2 VAL 9 -5.072 -6.860 -0.057 45 HG23 VAL 9 3HG2 VAL 9 -3.552 -6.145 -0.595 46 H LYS 10 H LYS 10 -6.264 -8.465 1.157 47 HA LYS 10 HA LYS 10 -8.822 -8.619 -0.022 48 HB2 LYS 10 1HB LYS 10 -7.679 -7.617 2.507 49 HB3 LYS 10 2HB LYS 10 -9.183 -6.850 2.015 50 HG2 LYS 10 1HG LYS 10 -10.020 -9.285 1.692 51 HG3 LYS 10 2HG LYS 10 -8.662 -9.698 2.741 52 HD2 LYS 10 1HD LYS 10 -10.894 -7.771 3.388 53 HD3 LYS 10 2HD LYS 10 -10.701 -9.400 4.041 54 HE2 LYS 10 1HE LYS 10 -8.441 -7.496 4.347 55 HE3 LYS 10 2HE LYS 10 -9.869 -7.246 5.349 56 HZ1 LYS 10 1HZ LYS 10 -7.843 -9.277 5.522 57 HZ2 LYS 10 2HZ LYS 10 -9.413 -9.902 5.584 58 HZ3 LYS 10 3HZ LYS 10 -8.926 -8.728 6.700 59 H VAL 11 H VAL 11 -10.246 -6.958 -0.673 60 HA VAL 11 HA VAL 11 -8.887 -4.495 -1.558 61 HB VAL 11 HB VAL 11 -11.207 -5.920 -2.870 62 HG11 VAL 11 1HG1 VAL 11 -11.695 -3.869 -3.630 63 HG12 VAL 11 2HG1 VAL 11 -10.133 -3.211 -3.138 64 HG13 VAL 11 3HG1 VAL 11 -10.284 -4.082 -4.665 65 HG21 VAL 11 1HG2 VAL 11 -8.757 -5.479 -4.401 66 HG22 VAL 11 2HG2 VAL 11 -8.548 -6.555 -3.020 67 HG23 VAL 11 3HG2 VAL 11 -9.756 -6.925 -4.251 68 H LEU 12 H LEU 12 -9.437 -2.959 -0.131 69 HA LEU 12 HA LEU 12 -12.042 -2.890 1.104 70 HB2 LEU 12 1HB LEU 12 -9.972 -0.721 1.228 71 HB3 LEU 12 2HB LEU 12 -11.230 -1.103 2.402 72 HG LEU 12 HG LEU 12 -9.016 -3.047 1.856 73 HD11 LEU 12 1HD1 LEU 12 -7.568 -1.447 2.488 74 HD12 LEU 12 2HD1 LEU 12 -8.177 -1.812 4.102 75 HD13 LEU 12 3HD1 LEU 12 -8.826 -0.440 3.204 76 HD21 LEU 12 1HD2 LEU 12 -10.274 -4.178 3.312 77 HD22 LEU 12 2HD2 LEU 12 -11.219 -2.750 3.736 78 HD23 LEU 12 3HD2 LEU 12 -9.672 -3.052 4.529 79 H VAL 13 H VAL 13 -13.628 -1.322 0.826 80 HA VAL 13 HA VAL 13 -13.325 0.415 -1.534 81 HB VAL 13 HB VAL 13 -15.769 0.059 -1.970 82 HG11 VAL 13 1HG1 VAL 13 -15.468 -2.056 -3.126 83 HG12 VAL 13 2HG1 VAL 13 -14.017 -1.064 -3.278 84 HG13 VAL 13 3HG1 VAL 13 -14.049 -2.413 -2.143 85 HG21 VAL 13 1HG2 VAL 13 -16.841 -0.842 -0.197 86 HG22 VAL 13 2HG2 VAL 13 -16.389 -2.361 -0.970 87 HG23 VAL 13 3HG2 VAL 13 -15.416 -1.723 0.355 88 H GLY 14 H GLY 14 -14.710 2.311 -1.545 89 HA2 GLY 14 1HA GLY 14 -14.666 3.706 0.895 90 HA3 GLY 14 2HA GLY 14 -15.513 4.220 -0.556 91 H LYS 15 H LYS 15 -16.832 1.357 -0.152 92 HA LYS 15 HA LYS 15 -19.138 2.440 1.238 93 HB2 LYS 15 1HB LYS 15 -19.386 1.149 -0.871 94 HB3 LYS 15 2HB LYS 15 -18.762 -0.273 -0.045 95 HG2 LYS 15 1HG LYS 15 -20.699 0.073 1.598 96 HG3 LYS 15 2HG LYS 15 -21.368 1.144 0.366 97 HD2 LYS 15 1HD LYS 15 -20.509 -1.675 -0.239 98 HD3 LYS 15 2HD LYS 15 -22.137 -1.281 0.320 99 HE2 LYS 15 1HE LYS 15 -20.946 0.151 -2.023 100 HE3 LYS 15 2HE LYS 15 -21.663 -1.446 -2.226 101 HZ1 LYS 15 1HZ LYS 15 -22.941 1.105 -1.704 102 HZ2 LYS 15 2HZ LYS 15 -23.576 -0.210 -0.851 103 HZ3 LYS 15 3HZ LYS 15 -23.521 -0.246 -2.541 104 H ASN 16 H ASN 16 -16.851 -0.245 1.605 105 HA ASN 16 HA ASN 16 -17.589 -0.373 4.447 106 HB2 ASN 16 1HB ASN 16 -17.443 -2.808 4.413 107 HB3 ASN 16 2HB ASN 16 -18.656 -2.260 3.259 108 HD21 ASN 16 1HD2 ASN 16 -15.394 -3.486 3.608 109 HD22 ASN 16 2HD2 ASN 16 -15.250 -4.100 1.999 110 H PHE 17 H PHE 17 -15.409 1.004 3.205 111 HA PHE 17 HA PHE 17 -12.999 -0.422 3.250 112 HB2 PHE 17 1HB PHE 17 -12.713 1.630 2.262 113 HB3 PHE 17 2HB PHE 17 -13.765 2.449 3.411 114 HD1 PHE 17 2HD PHE 17 -10.505 0.631 3.402 115 HD2 PHE 17 1HD PHE 17 -12.777 3.925 4.854 116 HE1 PHE 17 2HE PHE 17 -8.529 1.454 4.616 117 HE2 PHE 17 1HE PHE 17 -10.805 4.754 6.069 118 HZ PHE 17 HZ PHE 17 -8.678 3.518 5.952 119 H GLU 18 H GLU 18 -14.066 1.919 5.721 120 HA GLU 18 HA GLU 18 -12.234 1.142 7.673 121 HB2 GLU 18 1HB GLU 18 -14.987 2.232 8.252 122 HB3 GLU 18 2HB GLU 18 -13.533 2.412 9.224 123 HG2 GLU 18 1HG GLU 18 -13.574 4.453 8.243 124 HG3 GLU 18 2HG GLU 18 -12.637 3.578 7.033 125 H ASP 19 H ASP 19 -15.229 -0.292 6.699 126 HA ASP 19 HA ASP 19 -15.793 -1.771 9.038 127 HB2 ASP 19 1HB ASP 19 -17.219 -1.319 6.863 128 HB3 ASP 19 2HB ASP 19 -16.500 -2.838 6.336 129 H VAL 20 H VAL 20 -13.896 -2.503 6.145 130 HA VAL 20 HA VAL 20 -13.130 -5.093 7.271 131 HB VAL 20 HB VAL 20 -12.667 -3.866 4.554 132 HG11 VAL 20 1HG1 VAL 20 -10.699 -5.156 5.194 133 HG12 VAL 20 2HG1 VAL 20 -11.722 -6.539 5.586 134 HG13 VAL 20 3HG1 VAL 20 -11.602 -5.974 3.919 135 HG21 VAL 20 1HG2 VAL 20 -14.091 -5.667 3.767 136 HG22 VAL 20 2HG2 VAL 20 -14.232 -6.301 5.406 137 HG23 VAL 20 3HG2 VAL 20 -14.926 -4.730 5.006 138 H ALA 21 H ALA 21 -11.520 -2.259 5.818 139 HA ALA 21 HA ALA 21 -8.905 -2.898 6.418 140 HB1 ALA 21 1HB ALA 21 -9.965 -0.871 5.135 141 HB2 ALA 21 2HB ALA 21 -9.773 -0.062 6.691 142 HB3 ALA 21 3HB ALA 21 -8.367 -0.738 5.870 143 H PHE 22 H PHE 22 -10.900 -0.644 8.340 144 HA PHE 22 HA PHE 22 -9.124 -0.831 10.583 145 HB2 PHE 22 1HB PHE 22 -11.762 0.537 10.110 146 HB3 PHE 22 2HB PHE 22 -11.025 0.501 11.708 147 HD1 PHE 22 2HD PHE 22 -8.284 0.996 11.389 148 HD2 PHE 22 1HD PHE 22 -11.510 2.571 9.101 149 HE1 PHE 22 2HE PHE 22 -6.907 2.946 10.797 150 HE2 PHE 22 1HE PHE 22 -10.137 4.524 8.505 151 HZ PHE 22 HZ PHE 22 -7.833 4.715 9.354 152 H ASP 23 H ASP 23 -9.088 -2.464 11.964 153 HA ASP 23 HA ASP 23 -11.580 -3.578 12.964 154 HB2 ASP 23 1HB ASP 23 -10.934 -4.965 10.975 155 HB3 ASP 23 2HB ASP 23 -9.449 -5.391 11.821 156 H GLU 24 H GLU 24 -11.452 -4.177 15.062 157 HA GLU 24 HA GLU 24 -9.131 -3.448 16.544 158 HB2 GLU 24 1HB GLU 24 -11.225 -3.122 17.610 159 HB3 GLU 24 2HB GLU 24 -11.727 -4.778 17.297 160 HG2 GLU 24 1HG GLU 24 -10.465 -5.634 19.010 161 HG3 GLU 24 2HG GLU 24 -9.326 -4.289 18.987 162 H LYS 25 H LYS 25 -7.831 -4.795 17.875 163 HA LYS 25 HA LYS 25 -6.408 -6.551 18.168 164 HB2 LYS 25 1HB LYS 25 -9.044 -7.984 17.846 165 HB3 LYS 25 2HB LYS 25 -7.559 -8.809 18.300 166 HG2 LYS 25 1HG LYS 25 -8.690 -6.494 19.849 167 HG3 LYS 25 2HG LYS 25 -9.088 -8.180 20.190 168 HD2 LYS 25 1HD LYS 25 -6.241 -7.237 20.061 169 HD3 LYS 25 2HD LYS 25 -7.194 -7.087 21.539 170 HE2 LYS 25 1HE LYS 25 -7.704 -9.611 21.128 171 HE3 LYS 25 2HE LYS 25 -6.259 -9.547 20.121 172 HZ1 LYS 25 1HZ LYS 25 -5.903 -10.206 22.498 173 HZ2 LYS 25 2HZ LYS 25 -6.297 -8.621 22.936 174 HZ3 LYS 25 3HZ LYS 25 -4.947 -8.918 21.960 175 H LYS 26 H LYS 26 -6.621 -5.542 15.489 176 HA LYS 26 HA LYS 26 -5.433 -7.781 14.100 177 HB2 LYS 26 1HB LYS 26 -7.656 -8.217 13.419 178 HB3 LYS 26 2HB LYS 26 -8.005 -6.509 13.188 179 HG2 LYS 26 1HG LYS 26 -7.782 -7.231 11.024 180 HG3 LYS 26 2HG LYS 26 -6.148 -6.657 11.369 181 HD2 LYS 26 1HD LYS 26 -5.925 -8.765 10.295 182 HD3 LYS 26 2HD LYS 26 -5.569 -9.024 12.004 183 HE2 LYS 26 1HE LYS 26 -7.028 -10.770 10.977 184 HE3 LYS 26 2HE LYS 26 -7.730 -9.970 12.382 185 HZ1 LYS 26 1HZ LYS 26 -9.125 -10.320 10.230 186 HZ2 LYS 26 2HZ LYS 26 -8.326 -8.925 9.704 187 HZ3 LYS 26 3HZ LYS 26 -9.268 -8.881 11.108 188 H ASN 27 H ASN 27 -3.683 -7.047 13.101 189 HA ASN 27 HA ASN 27 -3.388 -4.186 12.652 190 HB2 ASN 27 1HB ASN 27 -1.360 -6.393 12.242 191 HB3 ASN 27 2HB ASN 27 -1.037 -4.662 12.293 192 HD21 ASN 27 1HD2 ASN 27 -1.641 -7.516 14.118 193 HD22 ASN 27 2HD2 ASN 27 -1.366 -6.835 15.682 194 H VAL 28 H VAL 28 -4.680 -3.788 10.863 195 HA VAL 28 HA VAL 28 -4.176 -5.280 8.407 196 HB VAL 28 HB VAL 28 -6.166 -3.088 9.010 197 HG11 VAL 28 1HG1 VAL 28 -7.099 -4.221 6.767 198 HG12 VAL 28 2HG1 VAL 28 -6.041 -2.808 6.767 199 HG13 VAL 28 3HG1 VAL 28 -5.367 -4.415 6.494 200 HG21 VAL 28 1HG2 VAL 28 -7.523 -5.398 8.343 201 HG22 VAL 28 2HG2 VAL 28 -6.187 -5.975 9.339 202 HG23 VAL 28 3HG2 VAL 28 -7.295 -4.757 9.971 203 H PHE 29 H PHE 29 -2.998 -4.546 6.748 204 HA PHE 29 HA PHE 29 -1.944 -1.803 6.933 205 HB2 PHE 29 1HB PHE 29 -0.254 -3.612 7.117 206 HB3 PHE 29 2HB PHE 29 -0.727 -4.186 5.521 207 HD1 PHE 29 1HD PHE 29 -0.644 -0.613 6.215 208 HD2 PHE 29 2HD PHE 29 1.548 -3.931 4.697 209 HE1 PHE 29 1HE PHE 29 0.972 0.930 5.185 210 HE2 PHE 29 2HE PHE 29 3.168 -2.393 3.666 211 HZ PHE 29 HZ PHE 29 2.882 0.041 3.910 212 H VAL 30 H VAL 30 -3.326 -0.619 5.716 213 HA VAL 30 HA VAL 30 -4.308 -1.589 3.176 214 HB VAL 30 HB VAL 30 -4.603 1.193 4.308 215 HG11 VAL 30 1HG1 VAL 30 -6.794 0.933 2.939 216 HG12 VAL 30 2HG1 VAL 30 -5.285 1.295 2.099 217 HG13 VAL 30 3HG1 VAL 30 -5.916 -0.352 2.110 218 HG21 VAL 30 1HG2 VAL 30 -6.201 -1.299 4.830 219 HG22 VAL 30 2HG2 VAL 30 -5.457 -0.211 6.001 220 HG23 VAL 30 3HG2 VAL 30 -6.861 0.318 5.073 221 H GLU 31 H GLU 31 -3.996 -0.470 1.162 222 HA GLU 31 HA GLU 31 -1.571 1.178 1.017 223 HB2 GLU 31 1HB GLU 31 -0.660 -0.869 0.377 224 HB3 GLU 31 2HB GLU 31 -2.131 -1.381 -0.438 225 HG2 GLU 31 1HG GLU 31 -1.672 0.439 -2.129 226 HG3 GLU 31 2HG GLU 31 -0.081 0.594 -1.387 227 H PHE 32 H PHE 32 -2.428 3.067 0.386 228 HA PHE 32 HA PHE 32 -4.625 3.197 -1.475 229 HB2 PHE 32 1HB PHE 32 -2.924 5.390 -0.270 230 HB3 PHE 32 2HB PHE 32 -4.381 5.647 -1.223 231 HD1 PHE 32 1HD PHE 32 -6.577 5.005 -0.327 232 HD2 PHE 32 2HD PHE 32 -3.033 4.728 2.013 233 HE1 PHE 32 1HE PHE 32 -7.941 4.846 1.715 234 HE2 PHE 32 2HE PHE 32 -4.391 4.568 4.058 235 HZ PHE 32 HZ PHE 32 -6.849 4.626 3.911 236 H TYR 33 H TYR 33 -4.061 2.525 -3.482 237 HA TYR 33 HA TYR 33 -1.705 3.763 -4.734 238 HB2 TYR 33 1HB TYR 33 -1.701 1.931 -6.300 239 HB3 TYR 33 2HB TYR 33 -1.803 1.267 -4.674 240 HD1 TYR 33 2HD TYR 33 -3.821 2.076 -7.681 241 HD2 TYR 33 1HD TYR 33 -3.585 -0.141 -4.057 242 HE1 TYR 33 2HE TYR 33 -5.828 0.812 -8.330 243 HE2 TYR 33 1HE TYR 33 -5.591 -1.412 -4.697 244 HH TYR 33 HH TYR 33 -7.421 -1.367 -6.125 245 H ALA 34 H ALA 34 -2.008 4.004 -7.205 246 HA ALA 34 HA ALA 34 -4.679 5.107 -7.771 247 HB1 ALA 34 1HB ALA 34 -3.853 7.092 -8.575 248 HB2 ALA 34 2HB ALA 34 -2.726 6.772 -7.256 249 HB3 ALA 34 3HB ALA 34 -2.260 6.416 -8.919 250 HA PRO 35 HA PRO 35 -4.457 2.533 -11.354 251 HB2 PRO 35 1HB PRO 35 -6.503 3.654 -12.742 252 HB3 PRO 35 2HB PRO 35 -6.754 2.600 -11.345 253 HG2 PRO 35 1HG PRO 35 -6.798 5.590 -11.496 254 HG3 PRO 35 2HG PRO 35 -7.896 4.497 -10.633 255 HD2 PRO 35 1HD PRO 35 -5.895 5.831 -9.389 256 HD3 PRO 35 2HD PRO 35 -6.440 4.224 -8.867 257 H TRP 36 H TRP 36 -3.698 5.811 -11.253 258 HA TRP 36 HA TRP 36 -2.848 5.779 -14.075 259 HB2 TRP 36 1HB TRP 36 -2.800 8.406 -13.525 260 HB3 TRP 36 2HB TRP 36 -4.234 7.587 -14.136 261 HD1 TRP 36 HD TRP 36 -6.291 7.312 -12.486 262 HE1 TRP 36 1HE TRP 36 -6.862 8.386 -10.217 263 HE3 TRP 36 3HE TRP 36 -1.706 9.258 -11.333 264 HZ2 TRP 36 2HZ TRP 36 -5.543 9.863 -8.205 265 HZ3 TRP 36 3HZ TRP 36 -1.445 10.488 -9.218 266 HH2 TRP 36 HH TRP 36 -3.325 10.783 -7.688 267 H CYS 37 H CYS 37 -1.939 6.308 -10.765 268 HA CYS 37 HA CYS 37 0.503 7.626 -11.124 269 HB2 CYS 37 1HB CYS 37 -0.531 7.407 -8.930 270 HB3 CYS 37 2HB CYS 37 -0.325 5.661 -8.979 271 HG CYS 37 HG CYS 37 2.294 7.862 -8.974 272 H GLY 38 H GLY 38 2.007 6.937 -12.519 273 HA2 GLY 38 1HA GLY 38 2.450 4.416 -13.494 274 HA3 GLY 38 2HA GLY 38 3.713 5.628 -13.341 275 H HIS 39 H HIS 39 3.745 5.795 -10.509 276 HA HIS 39 HA HIS 39 5.554 3.746 -9.892 277 HB2 HIS 39 1HB HIS 39 4.027 5.671 -8.140 278 HB3 HIS 39 2HB HIS 39 5.218 4.543 -7.499 279 HD1 HIS 39 1HD HIS 39 7.688 4.811 -8.732 280 HD2 HIS 39 2HD HIS 39 5.092 8.053 -8.842 281 HE1 HIS 39 1HE HIS 39 9.127 6.808 -9.246 282 HE2 HIS 39 2HE HIS 39 7.548 8.770 -9.223 283 H CYS 40 H CYS 40 2.110 4.096 -9.199 284 HA CYS 40 HA CYS 40 1.794 1.944 -7.455 285 HB2 CYS 40 1HB CYS 40 -0.122 3.193 -7.536 286 HB3 CYS 40 2HB CYS 40 0.009 3.477 -9.267 287 HG CYS 40 HG CYS 40 -2.064 1.980 -9.615 288 H LYS 41 H LYS 41 1.530 2.039 -10.997 289 HA LYS 41 HA LYS 41 0.740 -0.510 -11.560 290 HB2 LYS 41 1HB LYS 41 2.744 1.250 -12.962 291 HB3 LYS 41 2HB LYS 41 2.258 -0.309 -13.614 292 HG2 LYS 41 1HG LYS 41 0.061 0.395 -13.978 293 HG3 LYS 41 2HG LYS 41 0.238 1.789 -12.910 294 HD2 LYS 41 1HD LYS 41 2.068 2.516 -14.617 295 HD3 LYS 41 2HD LYS 41 1.241 1.394 -15.701 296 HE2 LYS 41 1HE LYS 41 -0.899 2.655 -14.990 297 HE3 LYS 41 2HE LYS 41 0.210 3.906 -14.431 298 HZ1 LYS 41 1HZ LYS 41 0.469 2.845 -17.163 299 HZ2 LYS 41 2HZ LYS 41 0.910 4.361 -16.558 300 HZ3 LYS 41 3HZ LYS 41 -0.721 4.000 -16.826 301 H GLN 42 H GLN 42 3.792 0.511 -10.261 302 HA GLN 42 HA GLN 42 5.049 -2.065 -10.734 303 HB2 GLN 42 1HB GLN 42 5.994 0.464 -9.385 304 HB3 GLN 42 2HB GLN 42 6.954 -1.009 -9.439 305 HG2 GLN 42 1HG GLN 42 5.900 0.162 -11.971 306 HG3 GLN 42 2HG GLN 42 7.323 0.862 -11.201 307 HE21 GLN 42 1HE2 GLN 42 7.964 0.057 -13.503 308 HE22 GLN 42 2HE2 GLN 42 8.710 -1.501 -13.537 309 H LEU 43 H LEU 43 3.392 -0.367 -8.203 310 HA LEU 43 HA LEU 43 4.288 -2.125 -6.101 311 HB2 LEU 43 1HB LEU 43 3.533 0.345 -5.930 312 HB3 LEU 43 2HB LEU 43 1.903 -0.324 -5.918 313 HG LEU 43 HG LEU 43 2.547 -1.656 -3.904 314 HD11 LEU 43 1HD1 LEU 43 5.129 -0.488 -4.536 315 HD12 LEU 43 2HD1 LEU 43 4.727 -1.855 -3.497 316 HD13 LEU 43 3HD1 LEU 43 4.651 -0.212 -2.860 317 HD21 LEU 43 1HD2 LEU 43 1.272 0.345 -3.607 318 HD22 LEU 43 2HD2 LEU 43 2.711 1.351 -3.775 319 HD23 LEU 43 3HD2 LEU 43 2.523 0.308 -2.365 320 H ALA 44 H ALA 44 1.840 -2.150 -8.481 321 HA ALA 44 HA ALA 44 -0.259 -3.500 -7.317 322 HB1 ALA 44 1HB ALA 44 0.642 -2.966 -9.963 323 HB2 ALA 44 2HB ALA 44 0.126 -4.651 -9.871 324 HB3 ALA 44 3HB ALA 44 -0.984 -3.362 -9.407 325 HA PRO 45 HA PRO 45 1.975 -7.695 -8.249 326 HB2 PRO 45 1HB PRO 45 4.629 -7.571 -8.806 327 HB3 PRO 45 2HB PRO 45 3.381 -7.488 -10.055 328 HG2 PRO 45 1HG PRO 45 4.921 -5.268 -8.767 329 HG3 PRO 45 2HG PRO 45 4.508 -5.498 -10.476 330 HD2 PRO 45 1HD PRO 45 3.137 -3.813 -8.859 331 HD3 PRO 45 2HD PRO 45 2.367 -4.691 -10.196 332 H ILE 46 H ILE 46 4.331 -5.361 -6.928 333 HA ILE 46 HA ILE 46 5.453 -7.020 -4.996 334 HB ILE 46 HB ILE 46 5.052 -4.034 -4.792 335 HG12 ILE 46 1HG1 ILE 46 7.614 -5.276 -5.678 336 HG13 ILE 46 2HG1 ILE 46 6.294 -5.195 -6.840 337 HG21 ILE 46 1HG2 ILE 46 5.867 -4.398 -2.733 338 HG22 ILE 46 2HG2 ILE 46 6.445 -6.013 -3.140 339 HG23 ILE 46 3HG2 ILE 46 7.410 -4.599 -3.563 340 HD11 ILE 46 1HD1 ILE 46 6.334 -2.661 -5.811 341 HD12 ILE 46 2HD1 ILE 46 8.043 -3.098 -5.845 342 HD13 ILE 46 3HD1 ILE 46 7.083 -3.175 -7.322 343 H TRP 47 H TRP 47 2.583 -4.969 -4.844 344 HA TRP 47 HA TRP 47 2.104 -5.389 -2.067 345 HB2 TRP 47 1HB TRP 47 1.223 -3.477 -3.503 346 HB3 TRP 47 2HB TRP 47 0.033 -4.619 -4.122 347 HD1 TRP 47 HD TRP 47 -2.187 -4.596 -2.861 348 HE1 TRP 47 1HE TRP 47 -2.976 -3.889 -0.516 349 HE3 TRP 47 3HE TRP 47 2.330 -3.314 -0.839 350 HZ2 TRP 47 2HZ TRP 47 -1.834 -2.915 1.875 351 HZ3 TRP 47 3HZ TRP 47 2.395 -2.503 1.483 352 HH2 TRP 47 HH TRP 47 0.355 -2.308 2.810 353 H ASP 48 H ASP 48 1.068 -6.984 -5.021 354 HA ASP 48 HA ASP 48 -0.890 -8.643 -3.774 355 HB2 ASP 48 1HB ASP 48 -1.322 -8.512 -6.022 356 HB3 ASP 48 2HB ASP 48 0.384 -8.473 -6.457 357 H LYS 49 H LYS 49 2.542 -8.851 -4.288 358 HA LYS 49 HA LYS 49 2.730 -11.667 -3.750 359 HB2 LYS 49 1HB LYS 49 4.746 -9.448 -4.019 360 HB3 LYS 49 2HB LYS 49 5.222 -11.063 -3.510 361 HG2 LYS 49 1HG LYS 49 4.823 -11.983 -5.564 362 HG3 LYS 49 2HG LYS 49 3.610 -10.773 -5.992 363 HD2 LYS 49 1HD LYS 49 5.459 -10.270 -7.347 364 HD3 LYS 49 2HD LYS 49 5.544 -9.102 -6.026 365 HE2 LYS 49 1HE LYS 49 7.735 -9.856 -6.215 366 HE3 LYS 49 2HE LYS 49 7.087 -10.827 -4.894 367 HZ1 LYS 49 1HZ LYS 49 7.495 -12.666 -6.031 368 HZ2 LYS 49 2HZ LYS 49 8.269 -11.741 -7.217 369 HZ3 LYS 49 3HZ LYS 49 6.626 -12.111 -7.372 370 H LEU 50 H LEU 50 2.801 -8.732 -1.887 371 HA LEU 50 HA LEU 50 3.871 -10.014 0.475 372 HB2 LEU 50 1HB LEU 50 4.526 -7.836 0.498 373 HB3 LEU 50 2HB LEU 50 3.061 -7.275 -0.305 374 HG LEU 50 HG LEU 50 1.874 -7.689 1.907 375 HD11 LEU 50 1HD1 LEU 50 3.214 -8.967 3.241 376 HD12 LEU 50 2HD1 LEU 50 3.664 -7.361 3.814 377 HD13 LEU 50 3HD1 LEU 50 4.700 -8.210 2.668 378 HD21 LEU 50 1HD2 LEU 50 2.759 -5.473 0.907 379 HD22 LEU 50 2HD2 LEU 50 3.996 -5.592 2.158 380 HD23 LEU 50 3HD2 LEU 50 2.291 -5.519 2.607 381 H GLY 51 H GLY 51 0.746 -9.070 -0.803 382 HA2 GLY 51 1HA GLY 51 -0.764 -9.322 1.562 383 HA3 GLY 51 2HA GLY 51 -1.393 -9.471 -0.073 384 H GLU 52 H GLU 52 0.023 -11.696 -0.956 385 HA GLU 52 HA GLU 52 -1.546 -13.791 0.064 386 HB2 GLU 52 1HB GLU 52 -0.505 -15.159 -1.496 387 HB3 GLU 52 2HB GLU 52 -0.325 -13.565 -2.216 388 HG2 GLU 52 1HG GLU 52 1.958 -13.432 -1.373 389 HG3 GLU 52 2HG GLU 52 1.780 -15.021 -0.632 390 H THR 53 H THR 53 1.564 -12.557 0.983 391 HA THR 53 HA THR 53 2.504 -14.826 2.395 392 HB THR 53 HB THR 53 3.187 -11.901 2.747 393 HG1 THR 53 1HG THR 53 4.014 -12.425 0.826 394 HG21 THR 53 1HG2 THR 53 3.669 -13.414 4.731 395 HG22 THR 53 2HG2 THR 53 5.050 -12.550 4.055 396 HG23 THR 53 3HG2 THR 53 4.809 -14.258 3.685 397 H TYR 54 H TYR 54 0.545 -12.044 3.318 398 HA TYR 54 HA TYR 54 0.157 -13.273 5.968 399 HB2 TYR 54 1HB TYR 54 -0.165 -10.360 5.219 400 HB3 TYR 54 2HB TYR 54 -0.334 -11.047 6.831 401 HD1 TYR 54 2HD TYR 54 2.094 -10.369 4.119 402 HD2 TYR 54 1HD TYR 54 1.554 -11.391 8.213 403 HE1 TYR 54 2HE TYR 54 4.491 -9.997 4.522 404 HE2 TYR 54 1HE TYR 54 3.950 -11.020 8.628 405 HH TYR 54 HH TYR 54 6.146 -11.123 6.943 406 H LYS 55 H LYS 55 -1.286 -13.958 3.554 407 HA LYS 55 HA LYS 55 -3.872 -12.708 3.690 408 HB2 LYS 55 1HB LYS 55 -4.502 -14.160 1.921 409 HB3 LYS 55 2HB LYS 55 -2.834 -13.700 1.606 410 HG2 LYS 55 1HG LYS 55 -2.123 -15.853 2.649 411 HG3 LYS 55 2HG LYS 55 -3.826 -16.311 2.724 412 HD2 LYS 55 1HD LYS 55 -3.993 -16.586 0.461 413 HD3 LYS 55 2HD LYS 55 -2.751 -15.380 0.114 414 HE2 LYS 55 1HE LYS 55 -1.090 -17.032 1.099 415 HE3 LYS 55 2HE LYS 55 -2.388 -18.223 1.027 416 HZ1 LYS 55 1HZ LYS 55 -2.229 -18.390 -1.192 417 HZ2 LYS 55 2HZ LYS 55 -0.669 -17.779 -0.960 418 HZ3 LYS 55 3HZ LYS 55 -1.923 -16.742 -1.420 419 H ASP 56 H ASP 56 -2.330 -15.484 5.094 420 HA ASP 56 HA ASP 56 -4.888 -16.244 6.346 421 HB2 ASP 56 1HB ASP 56 -2.595 -17.899 5.360 422 HB3 ASP 56 2HB ASP 56 -3.571 -18.488 6.703 423 H HIS 57 H HIS 57 -2.754 -14.280 7.154 424 HA HIS 57 HA HIS 57 -1.339 -15.336 9.366 425 HB2 HIS 57 1HB HIS 57 -1.208 -13.009 7.994 426 HB3 HIS 57 2HB HIS 57 -2.073 -12.469 9.429 427 HD1 HIS 57 1HD HIS 57 -0.776 -12.407 11.642 428 HD2 HIS 57 2HD HIS 57 1.456 -13.813 8.432 429 HE1 HIS 57 1HE HIS 57 1.607 -12.445 12.446 430 HE2 HIS 57 2HE HIS 57 2.949 -13.218 10.459 431 H GLU 58 H GLU 58 -1.754 -13.891 11.552 432 HA GLU 58 HA GLU 58 -4.459 -14.683 12.375 433 HB2 GLU 58 1HB GLU 58 -3.634 -14.848 14.606 434 HB3 GLU 58 2HB GLU 58 -2.468 -15.652 13.566 435 HG2 GLU 58 1HG GLU 58 -1.143 -13.512 13.589 436 HG3 GLU 58 2HG GLU 58 -2.232 -12.952 14.858 437 H ASN 59 H ASN 59 -2.100 -12.053 12.793 438 HA ASN 59 HA ASN 59 -4.354 -10.247 13.378 439 HB2 ASN 59 1HB ASN 59 -2.866 -8.903 14.722 440 HB3 ASN 59 2HB ASN 59 -2.754 -10.574 15.268 441 HD21 ASN 59 1HD2 ASN 59 -0.848 -11.633 15.134 442 HD22 ASN 59 2HD2 ASN 59 0.619 -10.914 14.572 443 H ILE 60 H ILE 60 -1.498 -10.813 11.480 444 HA ILE 60 HA ILE 60 -1.464 -8.173 10.315 445 HB ILE 60 HB ILE 60 0.007 -10.657 9.425 446 HG12 ILE 60 1HG1 ILE 60 0.850 -8.412 11.270 447 HG13 ILE 60 2HG1 ILE 60 0.604 -10.097 11.715 448 HG21 ILE 60 1HG2 ILE 60 -0.061 -7.865 8.492 449 HG22 ILE 60 2HG2 ILE 60 1.543 -8.577 8.662 450 HG23 ILE 60 3HG2 ILE 60 0.342 -9.345 7.623 451 HD11 ILE 60 1HD1 ILE 60 2.442 -10.462 9.843 452 HD12 ILE 60 2HD1 ILE 60 2.866 -8.814 10.309 453 HD13 ILE 60 3HD1 ILE 60 2.857 -10.098 11.518 454 H VAL 61 H VAL 61 -2.895 -7.558 8.846 455 HA VAL 61 HA VAL 61 -3.746 -9.503 6.806 456 HB VAL 61 HB VAL 61 -5.443 -7.746 8.519 457 HG11 VAL 61 1HG1 VAL 61 -5.880 -6.876 6.301 458 HG12 VAL 61 2HG1 VAL 61 -6.126 -8.510 5.681 459 HG13 VAL 61 3HG1 VAL 61 -7.256 -7.831 6.853 460 HG21 VAL 61 1HG2 VAL 61 -6.936 -9.691 8.425 461 HG22 VAL 61 2HG2 VAL 61 -5.820 -10.490 7.318 462 HG23 VAL 61 3HG2 VAL 61 -5.319 -10.136 8.971 463 H ILE 62 H ILE 62 -3.240 -8.839 4.834 464 HA ILE 62 HA ILE 62 -2.579 -6.037 4.381 465 HB ILE 62 HB ILE 62 -2.289 -8.405 2.528 466 HG12 ILE 62 1HG1 ILE 62 -0.889 -8.521 4.587 467 HG13 ILE 62 2HG1 ILE 62 0.059 -8.382 3.110 468 HG21 ILE 62 1HG2 ILE 62 -0.598 -6.090 2.051 469 HG22 ILE 62 2HG2 ILE 62 -1.594 -7.014 0.929 470 HG23 ILE 62 3HG2 ILE 62 -2.316 -5.724 1.890 471 HD11 ILE 62 1HD1 ILE 62 0.725 -6.980 5.156 472 HD12 ILE 62 2HD1 ILE 62 0.687 -6.202 3.573 473 HD13 ILE 62 3HD1 ILE 62 -0.639 -5.957 4.710 474 H ALA 63 H ALA 63 -3.663 -4.683 3.032 475 HA ALA 63 HA ALA 63 -5.824 -5.694 1.369 476 HB1 ALA 63 1HB ALA 63 -6.762 -5.259 3.673 477 HB2 ALA 63 2HB ALA 63 -6.427 -3.550 3.391 478 HB3 ALA 63 3HB ALA 63 -7.555 -4.412 2.344 479 H LYS 64 H LYS 64 -6.506 -4.229 -0.238 480 HA LYS 64 HA LYS 64 -4.833 -1.820 -0.515 481 HB2 LYS 64 1HB LYS 64 -4.653 -2.216 -2.893 482 HB3 LYS 64 2HB LYS 64 -4.087 -3.639 -2.029 483 HG2 LYS 64 1HG LYS 64 -6.142 -4.800 -2.489 484 HG3 LYS 64 2HG LYS 64 -6.836 -3.352 -3.223 485 HD2 LYS 64 1HD LYS 64 -5.000 -3.427 -4.917 486 HD3 LYS 64 2HD LYS 64 -4.509 -4.980 -4.237 487 HE2 LYS 64 1HE LYS 64 -6.814 -5.822 -4.700 488 HE3 LYS 64 2HE LYS 64 -7.145 -4.305 -5.536 489 HZ1 LYS 64 1HZ LYS 64 -5.515 -6.567 -6.369 490 HZ2 LYS 64 2HZ LYS 64 -4.918 -5.035 -6.763 491 HZ3 LYS 64 3HZ LYS 64 -6.452 -5.507 -7.297 492 H MET 65 H MET 65 -5.812 0.011 -1.290 493 HA MET 65 HA MET 65 -8.613 -0.158 -2.123 494 HB2 MET 65 1HB MET 65 -8.491 0.311 0.346 495 HB3 MET 65 2HB MET 65 -7.664 1.814 -0.041 496 HG2 MET 65 1HG MET 65 -9.584 2.644 -1.204 497 HG3 MET 65 2HG MET 65 -10.405 1.093 -1.045 498 HE1 MET 65 1HE MET 65 -11.741 4.062 0.044 499 HE2 MET 65 2HE MET 65 -10.957 4.575 1.539 500 HE3 MET 65 3HE MET 65 -10.023 4.462 0.046 501 H ASP 66 H ASP 66 -9.161 1.258 -3.695 502 HA ASP 66 HA ASP 66 -7.030 2.851 -4.847 503 HB2 ASP 66 1HB ASP 66 -8.559 1.416 -6.231 504 HB3 ASP 66 2HB ASP 66 -9.868 2.525 -5.835 505 H SER 67 H SER 67 -6.706 4.669 -3.660 506 HA SER 67 HA SER 67 -8.680 6.199 -2.398 507 HB2 SER 67 1HB SER 67 -6.049 6.242 -2.221 508 HB3 SER 67 2HB SER 67 -6.197 7.508 -3.440 509 HG SER 67 HG SER 67 -7.839 8.392 -1.873 510 H THR 68 H THR 68 -7.659 6.071 -5.696 511 HA THR 68 HA THR 68 -8.770 8.624 -6.435 512 HB THR 68 HB THR 68 -8.023 8.219 -8.592 513 HG1 THR 68 1HG THR 68 -7.879 5.418 -8.180 514 HG21 THR 68 1HG2 THR 68 -6.183 6.288 -7.226 515 HG22 THR 68 2HG2 THR 68 -6.221 7.982 -6.735 516 HG23 THR 68 3HG2 THR 68 -5.805 7.554 -8.394 517 H ALA 69 H ALA 69 -9.940 5.420 -6.047 518 HA ALA 69 HA ALA 69 -12.387 6.065 -7.550 519 HB1 ALA 69 1HB ALA 69 -11.524 3.345 -6.590 520 HB2 ALA 69 2HB ALA 69 -12.805 3.729 -7.740 521 HB3 ALA 69 3HB ALA 69 -11.118 3.998 -8.178 522 H ASN 70 H ASN 70 -11.111 5.683 -4.419 523 HA ASN 70 HA ASN 70 -13.810 5.867 -3.292 524 HB2 ASN 70 1HB ASN 70 -11.672 4.092 -2.102 525 HB3 ASN 70 2HB ASN 70 -13.343 4.253 -1.570 526 HD21 ASN 70 1HD2 ASN 70 -11.186 2.603 -3.575 527 HD22 ASN 70 2HD2 ASN 70 -12.336 1.645 -4.438 528 H GLU 71 H GLU 71 -13.996 7.434 -1.818 529 HA GLU 71 HA GLU 71 -11.522 8.547 -0.666 530 HB2 GLU 71 1HB GLU 71 -13.000 9.899 -2.400 531 HB3 GLU 71 2HB GLU 71 -13.963 10.235 -0.968 532 HG2 GLU 71 1HG GLU 71 -12.358 11.531 -0.015 533 HG3 GLU 71 2HG GLU 71 -11.036 10.660 -0.789 534 H VAL 72 H VAL 72 -11.422 8.780 1.492 535 HA VAL 72 HA VAL 72 -13.891 8.568 3.061 536 HB VAL 72 HB VAL 72 -12.712 7.062 4.676 537 HG11 VAL 72 1HG1 VAL 72 -14.317 6.015 3.334 538 HG12 VAL 72 2HG1 VAL 72 -13.328 6.159 1.880 539 HG13 VAL 72 3HG1 VAL 72 -12.877 5.017 3.146 540 HG21 VAL 72 1HG2 VAL 72 -10.465 7.105 4.350 541 HG22 VAL 72 2HG2 VAL 72 -10.841 5.712 3.336 542 HG23 VAL 72 3HG2 VAL 72 -10.609 7.299 2.603 543 H GLU 73 H GLU 73 -13.891 9.689 4.980 544 HA GLU 73 HA GLU 73 -11.967 11.792 5.223 545 HB2 GLU 73 1HB GLU 73 -13.308 12.569 7.075 546 HB3 GLU 73 2HB GLU 73 -14.371 12.079 5.763 547 HG2 GLU 73 1HG GLU 73 -15.456 11.114 7.502 548 HG3 GLU 73 2HG GLU 73 -14.368 9.794 7.078 549 H ALA 74 H ALA 74 -12.447 8.686 6.705 550 HA ALA 74 HA ALA 74 -10.941 9.039 9.049 551 HB1 ALA 74 1HB ALA 74 -12.460 7.062 8.227 552 HB2 ALA 74 2HB ALA 74 -10.927 6.414 7.643 553 HB3 ALA 74 3HB ALA 74 -11.135 6.776 9.356 554 H VAL 75 H VAL 75 -9.970 9.009 5.806 555 HA VAL 75 HA VAL 75 -7.174 9.059 6.602 556 HB VAL 75 HB VAL 75 -8.284 7.034 4.668 557 HG11 VAL 75 1HG1 VAL 75 -6.526 7.738 3.385 558 HG12 VAL 75 2HG1 VAL 75 -5.586 8.286 4.774 559 HG13 VAL 75 3HG1 VAL 75 -5.704 6.563 4.412 560 HG21 VAL 75 1HG2 VAL 75 -8.157 5.884 6.610 561 HG22 VAL 75 2HG2 VAL 75 -6.459 5.740 6.157 562 HG23 VAL 75 3HG2 VAL 75 -6.963 6.978 7.308 563 H LYS 76 H LYS 76 -6.321 10.796 5.689 564 HA LYS 76 HA LYS 76 -7.474 11.793 3.177 565 HB2 LYS 76 1HB LYS 76 -5.901 13.164 5.357 566 HB3 LYS 76 2HB LYS 76 -6.254 13.925 3.811 567 HG2 LYS 76 1HG LYS 76 -8.485 12.804 5.442 568 HG3 LYS 76 2HG LYS 76 -7.780 14.364 5.871 569 HD2 LYS 76 1HD LYS 76 -8.367 15.312 3.789 570 HD3 LYS 76 2HD LYS 76 -8.727 13.733 3.086 571 HE2 LYS 76 1HE LYS 76 -10.611 13.504 4.674 572 HE3 LYS 76 2HE LYS 76 -10.275 15.130 5.267 573 HZ1 LYS 76 1HZ LYS 76 -11.938 14.490 3.210 574 HZ2 LYS 76 2HZ LYS 76 -10.545 15.031 2.419 575 HZ3 LYS 76 3HZ LYS 76 -11.322 16.031 3.541 576 H VAL 77 H VAL 77 -6.390 10.999 1.484 577 HA VAL 77 HA VAL 77 -3.457 10.850 1.626 578 HB VAL 77 HB VAL 77 -5.212 9.596 -0.481 579 HG11 VAL 77 1HG1 VAL 77 -2.940 9.804 -1.185 580 HG12 VAL 77 2HG1 VAL 77 -2.347 9.186 0.358 581 HG13 VAL 77 3HG1 VAL 77 -3.213 8.118 -0.748 582 HG21 VAL 77 1HG2 VAL 77 -5.686 8.837 1.908 583 HG22 VAL 77 2HG2 VAL 77 -5.283 7.586 0.733 584 HG23 VAL 77 3HG2 VAL 77 -4.066 8.139 1.883 585 H HIS 78 H HIS 78 -2.328 12.376 0.635 586 HA HIS 78 HA HIS 78 -3.583 13.829 -1.601 587 HB2 HIS 78 1HB HIS 78 -1.444 14.876 0.262 588 HB3 HIS 78 2HB HIS 78 -2.315 15.787 -0.968 589 HD1 HIS 78 1HD HIS 78 -2.316 16.671 1.989 590 HD2 HIS 78 2HD HIS 78 -5.258 14.314 0.243 591 HE1 HIS 78 1HE HIS 78 -4.364 16.989 3.412 592 HE2 HIS 78 2HE HIS 78 -6.107 15.487 2.386 593 H SER 79 H SER 79 -1.849 11.356 -1.516 594 HA SER 79 HA SER 79 -0.275 11.960 -3.801 595 HB2 SER 79 1HB SER 79 1.938 11.690 -2.930 596 HB3 SER 79 2HB SER 79 1.144 12.912 -1.936 597 HG SER 79 HG SER 79 1.369 11.655 -0.275 598 H PHE 80 H PHE 80 1.154 10.019 -4.382 599 HA PHE 80 HA PHE 80 0.498 7.497 -3.195 600 HB2 PHE 80 1HB PHE 80 -0.469 7.823 -6.023 601 HB3 PHE 80 2HB PHE 80 -0.848 6.549 -4.869 602 HD1 PHE 80 1HD PHE 80 -2.481 6.919 -3.099 603 HD2 PHE 80 2HD PHE 80 -1.652 9.907 -6.014 604 HE1 PHE 80 1HE PHE 80 -4.542 8.105 -2.465 605 HE2 PHE 80 2HE PHE 80 -3.710 11.099 -5.384 606 HZ PHE 80 HZ PHE 80 -5.158 10.198 -3.607 607 HA PRO 81 HA PRO 81 0.485 5.313 -4.061 608 HB2 PRO 81 1HB PRO 81 2.258 3.491 -3.108 609 HB3 PRO 81 2HB PRO 81 1.709 3.509 -4.788 610 HG2 PRO 81 1HG PRO 81 4.241 4.587 -3.610 611 HG3 PRO 81 2HG PRO 81 4.007 3.671 -5.110 612 HD2 PRO 81 1HD PRO 81 4.314 6.361 -5.080 613 HD3 PRO 81 2HD PRO 81 3.310 5.528 -6.284 614 H THR 82 H THR 82 -0.239 5.114 -1.981 615 HA THR 82 HA THR 82 1.487 6.190 0.152 616 HB THR 82 HB THR 82 -1.443 6.735 -0.323 617 HG1 THR 82 1HG THR 82 -0.371 8.948 0.133 618 HG21 THR 82 1HG2 THR 82 -1.018 6.167 2.061 619 HG22 THR 82 2HG2 THR 82 -1.528 7.838 1.821 620 HG23 THR 82 3HG2 THR 82 0.170 7.468 2.121 621 H LEU 83 H LEU 83 1.773 4.855 1.811 622 HA LEU 83 HA LEU 83 -0.124 2.627 2.153 623 HB2 LEU 83 1HB LEU 83 2.718 2.685 3.127 624 HB3 LEU 83 2HB LEU 83 1.646 1.294 2.983 625 HG LEU 83 HG LEU 83 2.784 2.839 0.655 626 HD11 LEU 83 1HD1 LEU 83 4.622 1.757 1.617 627 HD12 LEU 83 2HD1 LEU 83 4.074 0.658 0.352 628 HD13 LEU 83 3HD1 LEU 83 3.676 0.329 2.038 629 HD21 LEU 83 1HD2 LEU 83 0.937 0.515 0.923 630 HD22 LEU 83 2HD2 LEU 83 2.055 0.571 -0.440 631 HD23 LEU 83 3HD2 LEU 83 0.887 1.872 -0.202 632 H LYS 84 H LYS 84 -0.976 2.203 4.142 633 HA LYS 84 HA LYS 84 -0.079 3.800 6.425 634 HB2 LYS 84 1HB LYS 84 -2.990 3.578 5.651 635 HB3 LYS 84 2HB LYS 84 -2.317 4.503 6.987 636 HG2 LYS 84 1HG LYS 84 -0.979 5.655 5.000 637 HG3 LYS 84 2HG LYS 84 -2.398 5.123 4.094 638 HD2 LYS 84 1HD LYS 84 -3.863 6.336 5.547 639 HD3 LYS 84 2HD LYS 84 -2.540 6.709 6.654 640 HE2 LYS 84 1HE LYS 84 -2.309 7.565 3.812 641 HE3 LYS 84 2HE LYS 84 -3.388 8.465 4.877 642 HZ1 LYS 84 1HZ LYS 84 -1.405 8.588 6.434 643 HZ2 LYS 84 2HZ LYS 84 -1.343 9.543 5.040 644 HZ3 LYS 84 3HZ LYS 84 -0.465 8.099 5.116 645 H PHE 85 H PHE 85 0.182 2.550 8.147 646 HA PHE 85 HA PHE 85 -0.975 -0.127 8.146 647 HB2 PHE 85 1HB PHE 85 1.370 -0.074 8.619 648 HB3 PHE 85 2HB PHE 85 1.158 1.181 9.836 649 HD1 PHE 85 1HD PHE 85 0.283 0.648 12.035 650 HD2 PHE 85 2HD PHE 85 0.880 -2.379 9.103 651 HE1 PHE 85 1HE PHE 85 0.088 -1.076 13.780 652 HE2 PHE 85 2HE PHE 85 0.685 -4.108 10.843 653 HZ PHE 85 HZ PHE 85 0.288 -3.458 13.185 654 H PHE 86 H PHE 86 -2.573 -0.770 9.455 655 HA PHE 86 HA PHE 86 -3.603 1.182 11.399 656 HB2 PHE 86 1HB PHE 86 -5.035 -1.118 10.051 657 HB3 PHE 86 2HB PHE 86 -5.762 0.026 11.174 658 HD1 PHE 86 1HD PHE 86 -3.724 2.153 9.653 659 HD2 PHE 86 2HD PHE 86 -7.024 -0.333 8.633 660 HE1 PHE 86 1HE PHE 86 -4.267 3.649 7.777 661 HE2 PHE 86 2HE PHE 86 -7.571 1.158 6.754 662 HZ PHE 86 HZ PHE 86 -6.192 3.152 6.323 663 HA PRO 87 HA PRO 87 -2.011 -1.795 14.369 664 HB2 PRO 87 1HB PRO 87 -2.396 -0.190 16.525 665 HB3 PRO 87 2HB PRO 87 -1.017 -0.016 15.432 666 HG2 PRO 87 1HG PRO 87 -3.578 1.533 15.513 667 HG3 PRO 87 2HG PRO 87 -1.920 2.122 15.290 668 HD2 PRO 87 1HD PRO 87 -3.638 1.788 13.224 669 HD3 PRO 87 2HD PRO 87 -1.886 1.556 13.056 670 H ALA 88 H ALA 88 -2.902 -2.811 16.322 671 HA ALA 88 HA ALA 88 -5.687 -3.399 15.994 672 HB1 ALA 88 1HB ALA 88 -5.313 -4.877 17.991 673 HB2 ALA 88 2HB ALA 88 -4.268 -5.202 16.607 674 HB3 ALA 88 3HB ALA 88 -3.639 -4.320 17.998 675 H SER 89 H SER 89 -6.063 -0.935 16.382 676 HA SER 89 HA SER 89 -6.629 -0.545 19.249 677 HB2 SER 89 1HB SER 89 -4.959 1.054 18.525 678 HB3 SER 89 2HB SER 89 -5.950 1.521 17.143 679 HG SER 89 HG SER 89 -7.017 1.743 19.726 680 H ALA 90 H ALA 90 -8.600 0.423 19.819 681 HA ALA 90 HA ALA 90 -10.753 -0.133 17.972 682 HB1 ALA 90 1HB ALA 90 -11.814 -0.589 19.864 683 HB2 ALA 90 2HB ALA 90 -10.459 0.037 20.804 684 HB3 ALA 90 3HB ALA 90 -11.754 1.120 20.294 685 H ASP 91 H ASP 91 -8.742 2.418 18.316 686 HA ASP 91 HA ASP 91 -10.810 4.435 17.776 687 HB2 ASP 91 1HB ASP 91 -9.080 4.809 19.604 688 HB3 ASP 91 2HB ASP 91 -7.887 4.958 18.317 689 H ARG 92 H ARG 92 -10.143 2.529 15.779 690 HA ARG 92 HA ARG 92 -9.128 2.307 13.690 691 HB2 ARG 92 1HB ARG 92 -10.145 4.023 12.157 692 HB3 ARG 92 2HB ARG 92 -11.291 3.181 13.192 693 HG2 ARG 92 1HG ARG 92 -12.045 5.303 13.458 694 HG3 ARG 92 2HG ARG 92 -10.852 5.267 14.758 695 HD2 ARG 92 1HD ARG 92 -9.403 6.639 13.653 696 HD3 ARG 92 2HD ARG 92 -9.927 6.089 12.062 697 HE ARG 92 HE ARG 92 -11.595 7.691 12.075 698 HH11 ARG 92 2HH1 ARG 92 -10.017 7.549 15.175 699 HH12 ARG 92 1HH1 ARG 92 -10.729 9.021 15.750 700 HH21 ARG 92 2HH2 ARG 92 -12.538 9.629 12.821 701 HH22 ARG 92 1HH2 ARG 92 -12.163 10.202 14.411 702 H THR 93 H THR 93 -7.122 3.215 15.259 703 HA THR 93 HA THR 93 -5.991 5.683 14.447 704 HB THR 93 HB THR 93 -4.684 3.257 15.690 705 HG1 THR 93 1HG THR 93 -5.304 5.733 16.929 706 HG21 THR 93 1HG2 THR 93 -2.910 4.445 14.701 707 HG22 THR 93 2HG2 THR 93 -2.946 5.006 16.372 708 HG23 THR 93 3HG2 THR 93 -3.627 6.007 15.090 709 H VAL 94 H VAL 94 -4.036 5.991 13.202 710 HA VAL 94 HA VAL 94 -3.487 3.895 11.221 711 HB VAL 94 HB VAL 94 -4.164 6.768 10.609 712 HG11 VAL 94 1HG1 VAL 94 -2.239 6.375 9.308 713 HG12 VAL 94 2HG1 VAL 94 -2.742 4.728 8.919 714 HG13 VAL 94 3HG1 VAL 94 -3.605 6.102 8.226 715 HG21 VAL 94 1HG2 VAL 94 -6.163 5.705 10.454 716 HG22 VAL 94 2HG2 VAL 94 -5.550 5.318 8.846 717 HG23 VAL 94 3HG2 VAL 94 -5.429 4.132 10.145 718 H ILE 95 H ILE 95 -1.389 3.771 10.538 719 HA ILE 95 HA ILE 95 0.492 5.708 11.722 720 HB ILE 95 HB ILE 95 0.850 2.741 11.306 721 HG12 ILE 95 1HG1 ILE 95 0.892 4.472 13.788 722 HG13 ILE 95 2HG1 ILE 95 -0.391 3.359 13.326 723 HG21 ILE 95 1HG2 ILE 95 2.817 4.912 11.579 724 HG22 ILE 95 2HG2 ILE 95 3.078 3.514 12.620 725 HG23 ILE 95 3HG2 ILE 95 2.987 3.306 10.872 726 HD11 ILE 95 1HD1 ILE 95 2.308 2.794 14.426 727 HD12 ILE 95 2HD1 ILE 95 0.744 2.096 14.845 728 HD13 ILE 95 3HD1 ILE 95 1.558 1.607 13.359 729 H ASP 96 H ASP 96 2.014 6.593 10.430 730 HA ASP 96 HA ASP 96 1.723 6.270 7.588 731 HB2 ASP 96 1HB ASP 96 3.521 8.003 7.477 732 HB3 ASP 96 2HB ASP 96 2.127 8.488 8.439 733 H TYR 97 H TYR 97 3.032 5.226 6.188 734 HA TYR 97 HA TYR 97 5.212 3.637 7.355 735 HB2 TYR 97 1HB TYR 97 3.389 2.374 6.264 736 HB3 TYR 97 2HB TYR 97 3.719 3.219 4.756 737 HD1 TYR 97 1HD TYR 97 5.942 2.864 3.625 738 HD2 TYR 97 2HD TYR 97 4.637 0.470 6.892 739 HE1 TYR 97 1HE TYR 97 7.597 1.148 3.021 740 HE2 TYR 97 2HE TYR 97 6.289 -1.252 6.297 741 HH TYR 97 HH TYR 97 8.822 -0.705 4.144 742 H ASN 98 H ASN 98 7.077 4.716 7.161 743 HA ASN 98 HA ASN 98 7.750 5.823 4.514 744 HB2 ASN 98 1HB ASN 98 8.217 6.908 7.264 745 HB3 ASN 98 2HB ASN 98 9.379 7.275 5.992 746 HD21 ASN 98 1HD2 ASN 98 7.100 8.706 7.553 747 HD22 ASN 98 2HD2 ASN 98 6.306 9.608 6.311 748 H GLY 99 H GLY 99 8.468 3.510 4.240 749 HA2 GLY 99 1HA GLY 99 11.225 3.222 5.268 750 HA3 GLY 99 2HA GLY 99 10.136 1.852 5.106 751 H GLU 100 H GLU 100 11.485 0.735 3.701 752 HA GLU 100 HA GLU 100 12.543 1.901 1.328 753 HB2 GLU 100 1HB GLU 100 13.073 -0.442 0.697 754 HB3 GLU 100 2HB GLU 100 13.642 -0.011 2.304 755 HG2 GLU 100 1HG GLU 100 11.352 -1.041 3.051 756 HG3 GLU 100 2HG GLU 100 11.463 -1.867 1.497 757 H ARG 101 H ARG 101 9.601 0.182 2.124 758 HA ARG 101 HA ARG 101 7.629 -0.001 0.988 759 HB2 ARG 101 1HB ARG 101 8.370 2.321 0.110 760 HB3 ARG 101 2HB ARG 101 8.819 1.456 -1.354 761 HG2 ARG 101 1HG ARG 101 6.383 0.529 -1.209 762 HG3 ARG 101 2HG ARG 101 6.119 1.952 -0.199 763 HD2 ARG 101 1HD ARG 101 7.344 2.055 -2.949 764 HD3 ARG 101 2HD ARG 101 5.621 2.266 -2.638 765 HE ARG 101 HE ARG 101 6.885 4.071 -1.000 766 HH11 ARG 101 2HH1 ARG 101 6.767 3.439 -4.421 767 HH12 ARG 101 1HH1 ARG 101 7.027 5.093 -4.868 768 HH21 ARG 101 2HH2 ARG 101 7.228 6.251 -1.575 769 HH22 ARG 101 1HH2 ARG 101 7.290 6.691 -3.248 770 H THR 102 H THR 102 9.444 -2.066 0.919 771 HA THR 102 HA THR 102 9.036 -3.153 -1.791 772 HB THR 102 HB THR 102 11.091 -4.460 -1.553 773 HG1 THR 102 1HG THR 102 12.425 -4.161 0.231 774 HG21 THR 102 1HG2 THR 102 10.957 -1.894 -2.276 775 HG22 THR 102 2HG2 THR 102 12.479 -2.785 -2.232 776 HG23 THR 102 3HG2 THR 102 12.037 -1.727 -0.892 777 H LEU 103 H LEU 103 8.918 -5.533 -1.866 778 HA LEU 103 HA LEU 103 6.951 -6.575 -0.245 779 HB2 LEU 103 1HB LEU 103 7.525 -7.583 -2.352 780 HB3 LEU 103 2HB LEU 103 9.127 -8.010 -1.756 781 HG LEU 103 HG LEU 103 8.066 -9.577 -0.156 782 HD11 LEU 103 1HD1 LEU 103 5.673 -8.270 -1.135 783 HD12 LEU 103 2HD1 LEU 103 5.910 -9.272 0.297 784 HD13 LEU 103 3HD1 LEU 103 5.571 -10.026 -1.261 785 HD21 LEU 103 1HD2 LEU 103 7.011 -10.367 -2.814 786 HD22 LEU 103 2HD2 LEU 103 8.008 -11.271 -1.675 787 HD23 LEU 103 3HD2 LEU 103 8.736 -10.021 -2.685 788 H ASP 104 H ASP 104 10.465 -6.971 0.075 789 HA ASP 104 HA ASP 104 10.257 -8.550 2.456 790 HB2 ASP 104 1HB ASP 104 12.197 -8.377 0.677 791 HB3 ASP 104 2HB ASP 104 12.762 -7.085 1.733 792 H GLY 105 H GLY 105 10.723 -5.148 1.721 793 HA2 GLY 105 1HA GLY 105 11.507 -4.305 4.302 794 HA3 GLY 105 2HA GLY 105 10.791 -3.285 3.063 795 H PHE 106 H PHE 106 8.352 -4.843 2.852 796 HA PHE 106 HA PHE 106 6.816 -3.521 4.812 797 HB2 PHE 106 1HB PHE 106 6.122 -5.802 2.954 798 HB3 PHE 106 2HB PHE 106 4.944 -4.964 3.960 799 HD1 PHE 106 2HD PHE 106 5.839 -2.174 3.697 800 HD2 PHE 106 1HD PHE 106 5.525 -5.259 0.783 801 HE1 PHE 106 2HE PHE 106 5.545 -0.478 1.939 802 HE2 PHE 106 1HE PHE 106 5.231 -3.569 -0.981 803 HZ PHE 106 HZ PHE 106 5.239 -1.175 -0.403 804 H LYS 107 H LYS 107 7.809 -6.911 4.481 805 HA LYS 107 HA LYS 107 6.458 -7.986 6.651 806 HB2 LYS 107 1HB LYS 107 9.253 -8.844 5.958 807 HB3 LYS 107 2HB LYS 107 7.901 -9.831 6.497 808 HG2 LYS 107 1HG LYS 107 6.852 -8.975 4.220 809 HG3 LYS 107 2HG LYS 107 8.557 -8.819 3.790 810 HD2 LYS 107 1HD LYS 107 8.646 -11.256 4.846 811 HD3 LYS 107 2HD LYS 107 6.948 -11.250 4.363 812 HE2 LYS 107 1HE LYS 107 7.865 -12.038 2.435 813 HE3 LYS 107 2HE LYS 107 7.987 -10.309 2.110 814 HZ1 LYS 107 1HZ LYS 107 10.148 -12.057 3.158 815 HZ2 LYS 107 2HZ LYS 107 10.276 -10.383 2.949 816 HZ3 LYS 107 3HZ LYS 107 10.061 -11.389 1.606 817 H LYS 108 H LYS 108 9.612 -6.379 6.551 818 HA LYS 108 HA LYS 108 10.377 -6.814 9.201 819 HB2 LYS 108 1HB LYS 108 10.986 -4.298 7.656 820 HB3 LYS 108 2HB LYS 108 11.964 -5.068 8.898 821 HG2 LYS 108 1HG LYS 108 11.928 -7.066 7.157 822 HG3 LYS 108 2HG LYS 108 11.664 -5.736 6.027 823 HD2 LYS 108 1HD LYS 108 13.886 -5.725 8.056 824 HD3 LYS 108 2HD LYS 108 14.076 -6.413 6.442 825 HE2 LYS 108 1HE LYS 108 13.247 -4.159 5.576 826 HE3 LYS 108 2HE LYS 108 13.526 -3.561 7.211 827 HZ1 LYS 108 1HZ LYS 108 15.851 -4.681 6.804 828 HZ2 LYS 108 2HZ LYS 108 15.530 -3.107 6.274 829 HZ3 LYS 108 3HZ LYS 108 15.460 -4.397 5.182 830 H PHE 109 H PHE 109 8.502 -4.163 7.771 831 HA PHE 109 HA PHE 109 8.198 -2.695 10.169 832 HB2 PHE 109 1HB PHE 109 7.857 -1.697 7.946 833 HB3 PHE 109 2HB PHE 109 6.442 -2.717 7.704 834 HD1 PHE 109 2HD PHE 109 7.797 0.179 9.482 835 HD2 PHE 109 1HD PHE 109 4.361 -2.243 8.815 836 HE1 PHE 109 2HE PHE 109 6.384 1.901 10.528 837 HE2 PHE 109 1HE PHE 109 2.943 -0.525 9.860 838 HZ PHE 109 HZ PHE 109 3.954 1.550 10.719 839 H LEU 110 H LEU 110 6.087 -5.027 8.520 840 HA LEU 110 HA LEU 110 3.963 -4.899 10.363 841 HB2 LEU 110 1HB LEU 110 4.823 -7.154 8.557 842 HB3 LEU 110 2HB LEU 110 3.282 -7.073 9.408 843 HG LEU 110 HG LEU 110 4.123 -4.991 7.408 844 HD11 LEU 110 1HD1 LEU 110 2.497 -7.473 6.879 845 HD12 LEU 110 2HD1 LEU 110 4.149 -7.198 6.327 846 HD13 LEU 110 3HD1 LEU 110 2.840 -6.176 5.733 847 HD21 LEU 110 1HD2 LEU 110 1.470 -5.061 7.296 848 HD22 LEU 110 2HD2 LEU 110 2.336 -4.085 8.483 849 HD23 LEU 110 3HD2 LEU 110 1.675 -5.654 8.945 850 H GLU 111 H GLU 111 6.386 -7.495 9.982 851 HA GLU 111 HA GLU 111 5.835 -9.019 12.159 852 HB2 GLU 111 1HB GLU 111 8.525 -8.262 11.025 853 HB3 GLU 111 2HB GLU 111 8.328 -9.484 12.274 854 HG2 GLU 111 1HG GLU 111 6.587 -10.454 10.535 855 HG3 GLU 111 2HG GLU 111 7.605 -9.568 9.401 856 H SER 112 H SER 112 7.485 -5.921 12.133 857 HA SER 112 HA SER 112 8.357 -5.989 14.833 858 HB2 SER 112 1HB SER 112 7.953 -3.751 12.852 859 HB3 SER 112 2HB SER 112 8.501 -3.451 14.501 860 HG SER 112 HG SER 112 9.813 -5.379 12.941 861 H GLY 113 H GLY 113 5.484 -4.668 13.236 862 HA2 GLY 113 1HA GLY 113 3.366 -4.840 14.445 863 HA3 GLY 113 2HA GLY 113 4.247 -4.420 15.906 864 H GLY 114 H GLY 114 4.859 -2.800 12.876 865 HA2 GLY 114 1HA GLY 114 4.388 -0.666 12.152 866 HA3 GLY 114 2HA GLY 114 3.044 -0.642 13.284 867 H GLN 115 H GLN 115 6.561 -0.929 13.756 868 HA GLN 115 HA GLN 115 6.404 1.098 15.842 869 HB2 GLN 115 1HB GLN 115 8.668 -0.692 14.947 870 HB3 GLN 115 2HB GLN 115 8.782 0.466 16.265 871 HG2 GLN 115 1HG GLN 115 6.714 -1.703 16.239 872 HG3 GLN 115 2HG GLN 115 8.343 -1.968 16.860 873 HE21 GLN 115 1HE2 GLN 115 9.053 -0.177 18.428 874 HE22 GLN 115 2HE2 GLN 115 7.896 0.255 19.637 875 H SER 116 H SER 116 5.935 2.815 14.282 876 HA SER 116 HA SER 116 7.540 3.626 12.194 877 HB2 SER 116 1HB SER 116 6.709 5.954 12.719 878 HB3 SER 116 2HB SER 116 5.447 4.732 12.569 879 HG SER 116 HG SER 116 6.574 5.406 15.070 880 H GLY 117 H GLY 117 8.263 3.607 15.539 881 HA2 GLY 117 1HA GLY 117 10.578 3.804 16.204 882 HA3 GLY 117 2HA GLY 117 10.775 5.043 14.973 883 HA PRO 118 HA PRO 118 9.709 6.788 19.291 884 HB2 PRO 118 1HB PRO 118 12.199 7.529 20.080 885 HB3 PRO 118 2HB PRO 118 11.500 5.950 20.461 886 HG2 PRO 118 1HG PRO 118 13.429 6.695 18.296 887 HG3 PRO 118 2HG PRO 118 13.440 5.282 19.367 888 HD2 PRO 118 1HD PRO 118 12.544 5.169 16.814 889 HD3 PRO 118 2HD PRO 118 11.868 4.159 18.109 890 H SER 119 H SER 119 9.624 9.008 19.743 891 HA SER 119 HA SER 119 11.105 10.915 18.190 892 HB2 SER 119 1HB SER 119 9.118 11.946 17.113 893 HB3 SER 119 2HB SER 119 9.436 10.316 16.520 894 HG SER 119 HG SER 119 7.325 11.278 18.048 895 H SER 120 H SER 120 11.316 12.754 19.307 896 HA SER 120 HA SER 120 11.031 14.363 20.893 897 HB2 SER 120 1HB SER 120 8.599 14.187 19.887 898 HB3 SER 120 2HB SER 120 8.228 13.470 21.455 899 HG SER 120 HG SER 120 8.814 16.076 20.799 900 H GLY 121 H GLY 121 12.377 12.303 21.799 901 HA2 GLY 121 1HA GLY 121 11.249 11.823 24.486 902 HA3 GLY 121 2HA GLY 121 12.064 10.548 23.593 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -23.556 -19.414 0.312 2 HA2 GLY 1 1HA GLY 1 -23.984 -18.829 3.160 3 HA3 GLY 1 2HA GLY 1 -24.400 -20.422 2.547 4 H SER 2 H SER 2 -21.638 -18.201 2.137 5 HA SER 2 HA SER 2 -19.844 -20.041 3.427 6 HB2 SER 2 1HB SER 2 -19.739 -19.657 0.432 7 HB3 SER 2 2HB SER 2 -18.369 -20.248 1.371 8 HG SER 2 HG SER 2 -19.617 -22.012 2.005 9 H SER 3 H SER 3 -17.488 -19.223 3.086 10 HA SER 3 HA SER 3 -17.565 -16.322 3.481 11 HB2 SER 3 1HB SER 3 -16.506 -18.079 5.129 12 HB3 SER 3 2HB SER 3 -15.132 -17.983 4.027 13 HG SER 3 HG SER 3 -15.324 -16.444 5.927 14 H GLY 4 H GLY 4 -15.451 -18.743 1.926 15 HA2 GLY 4 1HA GLY 4 -14.422 -18.658 -0.147 16 HA3 GLY 4 2HA GLY 4 -15.214 -17.117 -0.438 17 H SER 5 H SER 5 -12.592 -17.568 -1.202 18 HA SER 5 HA SER 5 -10.999 -16.113 0.793 19 HB2 SER 5 1HB SER 5 -10.324 -18.047 -1.378 20 HB3 SER 5 2HB SER 5 -9.127 -16.823 -0.955 21 HG SER 5 HG SER 5 -9.682 -17.621 1.319 22 H SER 6 H SER 6 -10.268 -14.108 0.408 23 HA SER 6 HA SER 6 -11.147 -12.798 -2.042 24 HB2 SER 6 1HB SER 6 -10.040 -11.743 0.565 25 HB3 SER 6 2HB SER 6 -10.375 -10.710 -0.825 26 HG SER 6 HG SER 6 -12.565 -11.662 -0.711 27 H GLY 7 H GLY 7 -9.114 -14.594 -2.521 28 HA2 GLY 7 1HA GLY 7 -7.109 -14.736 -3.630 29 HA3 GLY 7 2HA GLY 7 -7.234 -13.002 -3.887 30 HA PRO 8 HA PRO 8 -3.531 -13.700 -1.235 31 HB2 PRO 8 1HB PRO 8 -2.009 -11.838 -2.494 32 HB3 PRO 8 2HB PRO 8 -2.150 -13.506 -3.061 33 HG2 PRO 8 1HG PRO 8 -3.560 -11.050 -4.031 34 HG3 PRO 8 2HG PRO 8 -2.838 -12.369 -4.970 35 HD2 PRO 8 1HD PRO 8 -5.500 -12.201 -4.502 36 HD3 PRO 8 2HD PRO 8 -4.654 -13.754 -4.657 37 H VAL 9 H VAL 9 -4.563 -10.526 -2.507 38 HA VAL 9 HA VAL 9 -4.310 -9.451 0.227 39 HB VAL 9 HB VAL 9 -2.772 -8.194 -0.944 40 HG11 VAL 9 1HG1 VAL 9 -4.626 -8.101 -3.321 41 HG12 VAL 9 2HG1 VAL 9 -2.975 -7.484 -3.245 42 HG13 VAL 9 3HG1 VAL 9 -3.275 -9.219 -3.136 43 HG21 VAL 9 1HG2 VAL 9 -4.937 -6.388 -1.788 44 HG22 VAL 9 2HG2 VAL 9 -5.002 -6.915 -0.106 45 HG23 VAL 9 3HG2 VAL 9 -3.565 -6.096 -0.719 46 H LYS 10 H LYS 10 -6.017 -8.435 1.132 47 HA LYS 10 HA LYS 10 -8.598 -8.808 -0.003 48 HB2 LYS 10 1HB LYS 10 -7.711 -8.516 2.522 49 HB3 LYS 10 2HB LYS 10 -8.264 -6.874 2.221 50 HG2 LYS 10 1HG LYS 10 -10.079 -9.129 1.541 51 HG3 LYS 10 2HG LYS 10 -9.862 -8.691 3.237 52 HD2 LYS 10 1HD LYS 10 -10.742 -6.554 2.922 53 HD3 LYS 10 2HD LYS 10 -10.488 -6.605 1.176 54 HE2 LYS 10 1HE LYS 10 -12.838 -6.835 1.631 55 HE3 LYS 10 2HE LYS 10 -12.221 -8.371 1.025 56 HZ1 LYS 10 1HZ LYS 10 -13.448 -7.782 3.527 57 HZ2 LYS 10 2HZ LYS 10 -11.943 -8.521 3.748 58 HZ3 LYS 10 3HZ LYS 10 -13.131 -9.284 2.816 59 H VAL 11 H VAL 11 -10.091 -7.268 -0.720 60 HA VAL 11 HA VAL 11 -8.883 -4.737 -1.626 61 HB VAL 11 HB VAL 11 -11.194 -6.258 -2.842 62 HG11 VAL 11 1HG1 VAL 11 -10.028 -3.570 -3.349 63 HG12 VAL 11 2HG1 VAL 11 -10.585 -4.515 -4.731 64 HG13 VAL 11 3HG1 VAL 11 -11.705 -4.109 -3.430 65 HG21 VAL 11 1HG2 VAL 11 -8.806 -5.789 -4.457 66 HG22 VAL 11 2HG2 VAL 11 -8.524 -6.829 -3.060 67 HG23 VAL 11 3HG2 VAL 11 -9.760 -7.256 -4.243 68 H LEU 12 H LEU 12 -9.489 -3.112 -0.355 69 HA LEU 12 HA LEU 12 -12.072 -3.157 0.978 70 HB2 LEU 12 1HB LEU 12 -9.953 -1.024 1.116 71 HB3 LEU 12 2HB LEU 12 -11.289 -1.284 2.235 72 HG LEU 12 HG LEU 12 -9.116 -3.326 1.874 73 HD11 LEU 12 1HD1 LEU 12 -7.658 -1.884 2.739 74 HD12 LEU 12 2HD1 LEU 12 -8.581 -2.004 4.237 75 HD13 LEU 12 3HD1 LEU 12 -8.917 -0.702 3.097 76 HD21 LEU 12 1HD2 LEU 12 -11.250 -3.946 2.994 77 HD22 LEU 12 2HD2 LEU 12 -10.919 -2.712 4.210 78 HD23 LEU 12 3HD2 LEU 12 -9.831 -4.089 4.031 79 H VAL 13 H VAL 13 -13.622 -1.492 0.797 80 HA VAL 13 HA VAL 13 -13.384 0.174 -1.622 81 HB VAL 13 HB VAL 13 -15.876 -0.104 -1.890 82 HG11 VAL 13 1HG1 VAL 13 -14.165 -2.570 -2.189 83 HG12 VAL 13 2HG1 VAL 13 -15.691 -2.272 -3.022 84 HG13 VAL 13 3HG1 VAL 13 -14.294 -1.245 -3.345 85 HG21 VAL 13 1HG2 VAL 13 -17.085 -1.327 -0.475 86 HG22 VAL 13 2HG2 VAL 13 -15.965 -2.684 -0.584 87 HG23 VAL 13 3HG2 VAL 13 -15.664 -1.383 0.568 88 H GLY 14 H GLY 14 -14.887 2.050 -1.625 89 HA2 GLY 14 1HA GLY 14 -14.629 3.506 0.810 90 HA3 GLY 14 2HA GLY 14 -15.465 4.047 -0.638 91 H LYS 15 H LYS 15 -16.743 1.115 0.113 92 HA LYS 15 HA LYS 15 -19.078 2.363 1.340 93 HB2 LYS 15 1HB LYS 15 -19.239 0.836 -0.674 94 HB3 LYS 15 2HB LYS 15 -18.795 -0.490 0.394 95 HG2 LYS 15 1HG LYS 15 -21.079 -0.653 0.397 96 HG3 LYS 15 2HG LYS 15 -20.809 0.358 1.818 97 HD2 LYS 15 1HD LYS 15 -22.552 1.413 0.649 98 HD3 LYS 15 2HD LYS 15 -21.109 2.349 0.250 99 HE2 LYS 15 1HE LYS 15 -20.937 0.797 -1.799 100 HE3 LYS 15 2HE LYS 15 -22.614 0.385 -1.446 101 HZ1 LYS 15 1HZ LYS 15 -22.865 2.971 -1.403 102 HZ2 LYS 15 2HZ LYS 15 -22.892 2.127 -2.869 103 HZ3 LYS 15 3HZ LYS 15 -21.482 2.923 -2.377 104 H ASN 16 H ASN 16 -16.888 -0.379 1.906 105 HA ASN 16 HA ASN 16 -17.617 -0.248 4.756 106 HB2 ASN 16 1HB ASN 16 -17.322 -2.710 4.870 107 HB3 ASN 16 2HB ASN 16 -18.654 -2.235 3.820 108 HD21 ASN 16 1HD2 ASN 16 -15.202 -3.017 3.724 109 HD22 ASN 16 2HD2 ASN 16 -15.252 -3.828 2.199 110 H PHE 17 H PHE 17 -15.394 0.947 3.224 111 HA PHE 17 HA PHE 17 -12.985 -0.368 3.448 112 HB2 PHE 17 1HB PHE 17 -12.735 1.649 2.382 113 HB3 PHE 17 2HB PHE 17 -13.801 2.494 3.500 114 HD1 PHE 17 2HD PHE 17 -10.557 0.651 3.698 115 HD2 PHE 17 1HD PHE 17 -12.790 4.120 4.744 116 HE1 PHE 17 2HE PHE 17 -8.596 1.553 4.878 117 HE2 PHE 17 1HE PHE 17 -10.832 5.029 5.925 118 HZ PHE 17 HZ PHE 17 -8.731 3.744 5.995 119 H GLU 18 H GLU 18 -14.108 2.039 5.830 120 HA GLU 18 HA GLU 18 -12.261 1.357 7.811 121 HB2 GLU 18 1HB GLU 18 -15.020 2.520 8.223 122 HB3 GLU 18 2HB GLU 18 -13.671 2.613 9.346 123 HG2 GLU 18 1HG GLU 18 -12.467 4.068 7.930 124 HG3 GLU 18 2HG GLU 18 -13.560 3.772 6.579 125 H ASP 19 H ASP 19 -15.393 0.012 7.027 126 HA ASP 19 HA ASP 19 -15.917 -1.405 9.373 127 HB2 ASP 19 1HB ASP 19 -17.300 -1.073 7.136 128 HB3 ASP 19 2HB ASP 19 -16.598 -2.640 6.742 129 H VAL 20 H VAL 20 -13.864 -2.190 6.628 130 HA VAL 20 HA VAL 20 -13.163 -4.760 7.855 131 HB VAL 20 HB VAL 20 -12.688 -3.635 5.101 132 HG11 VAL 20 1HG1 VAL 20 -11.561 -6.178 6.270 133 HG12 VAL 20 2HG1 VAL 20 -11.480 -5.704 4.572 134 HG13 VAL 20 3HG1 VAL 20 -10.640 -4.751 5.796 135 HG21 VAL 20 1HG2 VAL 20 -14.184 -6.030 6.156 136 HG22 VAL 20 2HG2 VAL 20 -14.866 -4.591 5.398 137 HG23 VAL 20 3HG2 VAL 20 -13.899 -5.716 4.444 138 H ALA 21 H ALA 21 -11.454 -2.072 6.240 139 HA ALA 21 HA ALA 21 -8.884 -2.652 6.992 140 HB1 ALA 21 1HB ALA 21 -10.135 -0.534 5.756 141 HB2 ALA 21 2HB ALA 21 -9.425 0.199 7.195 142 HB3 ALA 21 3HB ALA 21 -8.404 -0.683 6.059 143 H PHE 22 H PHE 22 -10.931 -0.297 8.729 144 HA PHE 22 HA PHE 22 -9.230 -0.291 11.016 145 HB2 PHE 22 1HB PHE 22 -11.868 0.927 10.318 146 HB3 PHE 22 2HB PHE 22 -11.386 0.874 12.010 147 HD1 PHE 22 2HD PHE 22 -8.592 1.429 12.026 148 HD2 PHE 22 1HD PHE 22 -11.615 3.057 9.513 149 HE1 PHE 22 2HE PHE 22 -7.227 3.450 11.701 150 HE2 PHE 22 1HE PHE 22 -10.255 5.081 9.182 151 HZ PHE 22 HZ PHE 22 -8.059 5.280 10.278 152 H ASP 23 H ASP 23 -9.124 -2.551 11.511 153 HA ASP 23 HA ASP 23 -11.513 -3.534 12.931 154 HB2 ASP 23 1HB ASP 23 -9.603 -4.919 11.109 155 HB3 ASP 23 2HB ASP 23 -10.253 -5.833 12.467 156 H GLU 24 H GLU 24 -11.245 -3.560 15.054 157 HA GLU 24 HA GLU 24 -8.778 -3.139 16.338 158 HB2 GLU 24 1HB GLU 24 -9.954 -3.220 18.340 159 HB3 GLU 24 2HB GLU 24 -11.199 -2.750 17.191 160 HG2 GLU 24 1HG GLU 24 -11.549 -5.369 17.060 161 HG3 GLU 24 2HG GLU 24 -10.843 -5.290 18.673 162 H LYS 25 H LYS 25 -7.578 -4.543 17.716 163 HA LYS 25 HA LYS 25 -6.410 -6.445 18.155 164 HB2 LYS 25 1HB LYS 25 -9.086 -7.762 17.651 165 HB3 LYS 25 2HB LYS 25 -7.710 -8.515 18.448 166 HG2 LYS 25 1HG LYS 25 -8.854 -5.977 19.526 167 HG3 LYS 25 2HG LYS 25 -9.636 -7.522 19.866 168 HD2 LYS 25 1HD LYS 25 -7.779 -8.338 21.029 169 HD3 LYS 25 2HD LYS 25 -6.697 -7.131 20.330 170 HE2 LYS 25 1HE LYS 25 -7.682 -5.392 21.640 171 HE3 LYS 25 2HE LYS 25 -8.970 -6.462 22.192 172 HZ1 LYS 25 1HZ LYS 25 -6.496 -6.012 23.385 173 HZ2 LYS 25 2HZ LYS 25 -6.482 -7.608 22.826 174 HZ3 LYS 25 3HZ LYS 25 -7.703 -7.092 23.876 175 H LYS 26 H LYS 26 -6.545 -5.464 15.409 176 HA LYS 26 HA LYS 26 -5.419 -7.788 14.119 177 HB2 LYS 26 1HB LYS 26 -7.652 -8.205 13.453 178 HB3 LYS 26 2HB LYS 26 -7.959 -6.503 13.136 179 HG2 LYS 26 1HG LYS 26 -7.764 -7.455 11.023 180 HG3 LYS 26 2HG LYS 26 -6.188 -6.711 11.305 181 HD2 LYS 26 1HD LYS 26 -6.007 -8.971 10.335 182 HD3 LYS 26 2HD LYS 26 -5.251 -8.857 11.926 183 HE2 LYS 26 1HE LYS 26 -8.096 -9.705 11.785 184 HE3 LYS 26 2HE LYS 26 -6.864 -10.857 11.273 185 HZ1 LYS 26 1HZ LYS 26 -6.267 -9.543 13.764 186 HZ2 LYS 26 2HZ LYS 26 -6.201 -11.185 13.365 187 HZ3 LYS 26 3HZ LYS 26 -7.673 -10.484 13.818 188 H ASN 27 H ASN 27 -3.678 -7.157 13.030 189 HA ASN 27 HA ASN 27 -3.278 -4.323 12.516 190 HB2 ASN 27 1HB ASN 27 -1.340 -6.585 12.012 191 HB3 ASN 27 2HB ASN 27 -0.969 -4.870 12.155 192 HD21 ASN 27 1HD2 ASN 27 -1.579 -7.810 13.819 193 HD22 ASN 27 2HD2 ASN 27 -1.276 -7.225 15.417 194 H VAL 28 H VAL 28 -4.520 -3.816 10.748 195 HA VAL 28 HA VAL 28 -4.135 -5.369 8.293 196 HB VAL 28 HB VAL 28 -6.118 -3.165 8.877 197 HG11 VAL 28 1HG1 VAL 28 -6.092 -3.062 6.617 198 HG12 VAL 28 2HG1 VAL 28 -5.421 -4.685 6.441 199 HG13 VAL 28 3HG1 VAL 28 -7.141 -4.471 6.769 200 HG21 VAL 28 1HG2 VAL 28 -6.336 -6.162 8.937 201 HG22 VAL 28 2HG2 VAL 28 -6.747 -5.005 10.203 202 HG23 VAL 28 3HG2 VAL 28 -7.747 -5.118 8.755 203 H PHE 29 H PHE 29 -2.879 -4.661 6.699 204 HA PHE 29 HA PHE 29 -1.907 -1.889 6.823 205 HB2 PHE 29 1HB PHE 29 -0.192 -3.675 6.985 206 HB3 PHE 29 2HB PHE 29 -0.683 -4.261 5.399 207 HD1 PHE 29 1HD PHE 29 -0.822 -0.706 5.769 208 HD2 PHE 29 2HD PHE 29 1.763 -3.960 4.848 209 HE1 PHE 29 1HE PHE 29 0.758 0.854 4.707 210 HE2 PHE 29 2HE PHE 29 3.347 -2.405 3.786 211 HZ PHE 29 HZ PHE 29 2.846 0.005 3.715 212 H VAL 30 H VAL 30 -3.314 -0.720 5.623 213 HA VAL 30 HA VAL 30 -4.337 -1.708 3.108 214 HB VAL 30 HB VAL 30 -4.617 1.090 4.199 215 HG11 VAL 30 1HG1 VAL 30 -5.356 1.092 1.993 216 HG12 VAL 30 2HG1 VAL 30 -6.037 -0.532 2.118 217 HG13 VAL 30 3HG1 VAL 30 -6.835 0.825 2.915 218 HG21 VAL 30 1HG2 VAL 30 -6.114 -1.417 4.885 219 HG22 VAL 30 2HG2 VAL 30 -5.429 -0.205 5.967 220 HG23 VAL 30 3HG2 VAL 30 -6.870 0.170 5.022 221 H GLU 31 H GLU 31 -4.141 -0.453 1.105 222 HA GLU 31 HA GLU 31 -1.697 1.147 0.898 223 HB2 GLU 31 1HB GLU 31 -0.782 -0.882 0.224 224 HB3 GLU 31 2HB GLU 31 -2.275 -1.420 -0.533 225 HG2 GLU 31 1HG GLU 31 -1.921 0.329 -2.282 226 HG3 GLU 31 2HG GLU 31 -0.336 0.629 -1.572 227 H PHE 32 H PHE 32 -2.551 3.034 0.270 228 HA PHE 32 HA PHE 32 -4.786 3.144 -1.561 229 HB2 PHE 32 1HB PHE 32 -3.138 5.340 -0.292 230 HB3 PHE 32 2HB PHE 32 -4.575 5.604 -1.274 231 HD1 PHE 32 1HD PHE 32 -6.783 4.842 -0.453 232 HD2 PHE 32 2HD PHE 32 -3.294 4.702 1.980 233 HE1 PHE 32 1HE PHE 32 -8.194 4.622 1.551 234 HE2 PHE 32 2HE PHE 32 -4.699 4.481 3.988 235 HZ PHE 32 HZ PHE 32 -7.152 4.440 3.775 236 H TYR 33 H TYR 33 -4.179 2.491 -3.570 237 HA TYR 33 HA TYR 33 -1.865 3.821 -4.803 238 HB2 TYR 33 1HB TYR 33 -1.831 2.015 -6.412 239 HB3 TYR 33 2HB TYR 33 -1.872 1.333 -4.789 240 HD1 TYR 33 2HD TYR 33 -4.004 2.113 -7.729 241 HD2 TYR 33 1HD TYR 33 -3.568 -0.166 -4.162 242 HE1 TYR 33 2HE TYR 33 -5.977 0.781 -8.345 243 HE2 TYR 33 1HE TYR 33 -5.540 -1.505 -4.770 244 HH TYR 33 HH TYR 33 -6.708 -1.931 -7.483 245 H ALA 34 H ALA 34 -2.180 4.067 -7.281 246 HA ALA 34 HA ALA 34 -4.872 5.136 -7.818 247 HB1 ALA 34 1HB ALA 34 -2.472 6.612 -7.591 248 HB2 ALA 34 2HB ALA 34 -2.936 6.615 -9.293 249 HB3 ALA 34 3HB ALA 34 -4.069 7.187 -8.069 250 HA PRO 35 HA PRO 35 -4.657 2.546 -11.393 251 HB2 PRO 35 1HB PRO 35 -6.767 3.604 -12.734 252 HB3 PRO 35 2HB PRO 35 -6.954 2.545 -11.331 253 HG2 PRO 35 1HG PRO 35 -7.088 5.532 -11.481 254 HG3 PRO 35 2HG PRO 35 -8.134 4.409 -10.593 255 HD2 PRO 35 1HD PRO 35 -6.143 5.802 -9.397 256 HD3 PRO 35 2HD PRO 35 -6.629 4.180 -8.861 257 H TRP 36 H TRP 36 -3.951 5.824 -11.300 258 HA TRP 36 HA TRP 36 -3.139 5.801 -14.133 259 HB2 TRP 36 1HB TRP 36 -3.251 8.426 -13.694 260 HB3 TRP 36 2HB TRP 36 -4.663 7.508 -14.207 261 HD1 TRP 36 HD TRP 36 -6.683 7.346 -12.542 262 HE1 TRP 36 1HE TRP 36 -7.203 8.444 -10.273 263 HE3 TRP 36 3HE TRP 36 -2.058 9.248 -11.481 264 HZ2 TRP 36 2HZ TRP 36 -5.834 9.922 -8.295 265 HZ3 TRP 36 3HZ TRP 36 -1.747 10.492 -9.381 266 HH2 TRP 36 HH TRP 36 -3.598 10.821 -7.823 267 H CYS 37 H CYS 37 -2.146 5.963 -10.917 268 HA CYS 37 HA CYS 37 0.184 7.582 -11.247 269 HB2 CYS 37 1HB CYS 37 -0.872 7.269 -9.051 270 HB3 CYS 37 2HB CYS 37 -0.490 5.552 -9.106 271 HG CYS 37 HG CYS 37 2.071 5.717 -8.506 272 H GLY 38 H GLY 38 2.210 7.029 -11.828 273 HA2 GLY 38 1HA GLY 38 2.646 4.586 -13.202 274 HA3 GLY 38 2HA GLY 38 3.870 5.787 -12.821 275 H HIS 39 H HIS 39 4.501 5.812 -10.420 276 HA HIS 39 HA HIS 39 5.867 3.592 -9.720 277 HB2 HIS 39 1HB HIS 39 5.643 5.949 -8.559 278 HB3 HIS 39 2HB HIS 39 4.535 5.085 -7.497 279 HD1 HIS 39 1HD HIS 39 6.193 5.406 -5.516 280 HD2 HIS 39 2HD HIS 39 7.697 3.170 -8.679 281 HE1 HIS 39 1HE HIS 39 8.268 4.295 -4.628 282 HE2 HIS 39 2HE HIS 39 9.207 3.016 -6.584 283 H CYS 40 H CYS 40 2.447 4.077 -9.385 284 HA CYS 40 HA CYS 40 1.912 2.029 -7.513 285 HB2 CYS 40 1HB CYS 40 0.121 3.466 -7.746 286 HB3 CYS 40 2HB CYS 40 0.296 3.571 -9.494 287 HG CYS 40 HG CYS 40 -2.162 2.361 -8.841 288 H LYS 41 H LYS 41 1.749 2.071 -11.067 289 HA LYS 41 HA LYS 41 0.881 -0.476 -11.568 290 HB2 LYS 41 1HB LYS 41 2.809 1.310 -13.014 291 HB3 LYS 41 2HB LYS 41 2.500 -0.316 -13.611 292 HG2 LYS 41 1HG LYS 41 0.256 0.151 -14.064 293 HG3 LYS 41 2HG LYS 41 0.262 1.599 -13.055 294 HD2 LYS 41 1HD LYS 41 2.005 2.502 -14.711 295 HD3 LYS 41 2HD LYS 41 1.478 1.191 -15.770 296 HE2 LYS 41 1HE LYS 41 -0.653 2.073 -16.012 297 HE3 LYS 41 2HE LYS 41 -0.534 3.027 -14.534 298 HZ1 LYS 41 1HZ LYS 41 -0.247 4.648 -16.081 299 HZ2 LYS 41 2HZ LYS 41 0.473 3.621 -17.216 300 HZ3 LYS 41 3HZ LYS 41 1.370 4.185 -15.898 301 H GLN 42 H GLN 42 3.897 0.494 -10.210 302 HA GLN 42 HA GLN 42 5.139 -2.097 -10.686 303 HB2 GLN 42 1HB GLN 42 6.111 0.445 -9.388 304 HB3 GLN 42 2HB GLN 42 7.047 -1.043 -9.374 305 HG2 GLN 42 1HG GLN 42 6.057 0.054 -11.963 306 HG3 GLN 42 2HG GLN 42 7.476 0.762 -11.193 307 HE21 GLN 42 1HE2 GLN 42 6.490 -1.454 -13.387 308 HE22 GLN 42 2HE2 GLN 42 7.857 -2.510 -13.378 309 H LEU 43 H LEU 43 3.465 -0.369 -8.199 310 HA LEU 43 HA LEU 43 4.345 -2.090 -6.058 311 HB2 LEU 43 1HB LEU 43 3.589 0.375 -5.922 312 HB3 LEU 43 2HB LEU 43 1.955 -0.285 -5.944 313 HG LEU 43 HG LEU 43 2.545 -1.602 -3.901 314 HD11 LEU 43 1HD1 LEU 43 5.145 -0.458 -4.484 315 HD12 LEU 43 2HD1 LEU 43 4.710 -1.797 -3.424 316 HD13 LEU 43 3HD1 LEU 43 4.629 -0.140 -2.828 317 HD21 LEU 43 1HD2 LEU 43 2.540 0.414 -2.390 318 HD22 LEU 43 2HD2 LEU 43 1.260 0.367 -3.603 319 HD23 LEU 43 3HD2 LEU 43 2.666 1.405 -3.843 320 H ALA 44 H ALA 44 1.955 -2.192 -8.481 321 HA ALA 44 HA ALA 44 -0.160 -3.529 -7.310 322 HB1 ALA 44 1HB ALA 44 -0.893 -3.504 -9.402 323 HB2 ALA 44 2HB ALA 44 0.698 -2.954 -9.933 324 HB3 ALA 44 3HB ALA 44 0.334 -4.679 -9.877 325 HA PRO 45 HA PRO 45 2.108 -7.719 -8.184 326 HB2 PRO 45 1HB PRO 45 4.764 -7.583 -8.732 327 HB3 PRO 45 2HB PRO 45 3.520 -7.523 -9.986 328 HG2 PRO 45 1HG PRO 45 5.041 -5.278 -8.717 329 HG3 PRO 45 2HG PRO 45 4.635 -5.530 -10.425 330 HD2 PRO 45 1HD PRO 45 3.247 -3.835 -8.833 331 HD3 PRO 45 2HD PRO 45 2.488 -4.734 -10.163 332 H ILE 46 H ILE 46 4.361 -5.303 -6.838 333 HA ILE 46 HA ILE 46 5.512 -6.951 -4.891 334 HB ILE 46 HB ILE 46 5.095 -3.964 -4.735 335 HG12 ILE 46 1HG1 ILE 46 7.676 -5.193 -5.574 336 HG13 ILE 46 2HG1 ILE 46 6.367 -5.164 -6.750 337 HG21 ILE 46 1HG2 ILE 46 6.244 -3.978 -2.832 338 HG22 ILE 46 2HG2 ILE 46 6.071 -5.732 -2.820 339 HG23 ILE 46 3HG2 ILE 46 7.505 -4.992 -3.531 340 HD11 ILE 46 1HD1 ILE 46 6.313 -2.611 -5.856 341 HD12 ILE 46 2HD1 ILE 46 8.032 -2.988 -5.725 342 HD13 ILE 46 3HD1 ILE 46 7.207 -3.162 -7.274 343 H TRP 47 H TRP 47 2.629 -4.916 -4.795 344 HA TRP 47 HA TRP 47 2.130 -5.306 -2.014 345 HB2 TRP 47 1HB TRP 47 1.265 -3.403 -3.472 346 HB3 TRP 47 2HB TRP 47 0.078 -4.547 -4.091 347 HD1 TRP 47 HD TRP 47 -2.161 -4.427 -2.879 348 HE1 TRP 47 1HE TRP 47 -2.964 -3.733 -0.534 349 HE3 TRP 47 3HE TRP 47 2.362 -3.339 -0.760 350 HZ2 TRP 47 2HZ TRP 47 -1.830 -2.842 1.893 351 HZ3 TRP 47 3HZ TRP 47 2.416 -2.572 1.577 352 HH2 TRP 47 HH TRP 47 0.362 -2.328 2.874 353 H ASP 48 H ASP 48 1.115 -6.920 -4.965 354 HA ASP 48 HA ASP 48 -0.841 -8.578 -3.698 355 HB2 ASP 48 1HB ASP 48 -1.278 -8.369 -5.956 356 HB3 ASP 48 2HB ASP 48 0.424 -8.451 -6.402 357 H LYS 49 H LYS 49 2.582 -8.776 -4.269 358 HA LYS 49 HA LYS 49 2.796 -11.594 -3.780 359 HB2 LYS 49 1HB LYS 49 4.788 -9.349 -3.995 360 HB3 LYS 49 2HB LYS 49 5.282 -10.968 -3.515 361 HG2 LYS 49 1HG LYS 49 4.909 -11.849 -5.589 362 HG3 LYS 49 2HG LYS 49 3.672 -10.657 -5.995 363 HD2 LYS 49 1HD LYS 49 5.517 -10.099 -7.338 364 HD3 LYS 49 2HD LYS 49 5.562 -8.945 -6.004 365 HE2 LYS 49 1HE LYS 49 7.788 -9.762 -6.410 366 HE3 LYS 49 2HE LYS 49 7.218 -10.395 -4.867 367 HZ1 LYS 49 1HZ LYS 49 6.718 -12.490 -5.933 368 HZ2 LYS 49 2HZ LYS 49 8.339 -12.087 -6.196 369 HZ3 LYS 49 3HZ LYS 49 7.207 -11.886 -7.436 370 H LEU 50 H LEU 50 2.837 -8.705 -1.845 371 HA LEU 50 HA LEU 50 3.922 -10.024 0.486 372 HB2 LEU 50 1HB LEU 50 4.528 -7.823 0.524 373 HB3 LEU 50 2HB LEU 50 3.016 -7.283 -0.204 374 HG LEU 50 HG LEU 50 1.936 -7.829 2.044 375 HD11 LEU 50 1HD1 LEU 50 3.887 -7.407 3.833 376 HD12 LEU 50 2HD1 LEU 50 4.785 -8.330 2.628 377 HD13 LEU 50 3HD1 LEU 50 3.335 -9.015 3.362 378 HD21 LEU 50 1HD2 LEU 50 2.636 -5.546 1.076 379 HD22 LEU 50 2HD2 LEU 50 3.963 -5.631 2.235 380 HD23 LEU 50 3HD2 LEU 50 2.293 -5.660 2.803 381 H GLY 51 H GLY 51 0.774 -9.078 -0.752 382 HA2 GLY 51 1HA GLY 51 -0.723 -9.447 1.603 383 HA3 GLY 51 2HA GLY 51 -1.355 -9.544 -0.033 384 H GLU 52 H GLU 52 0.224 -11.719 -0.935 385 HA GLU 52 HA GLU 52 -1.355 -13.878 -0.019 386 HB2 GLU 52 1HB GLU 52 -0.104 -15.242 -1.526 387 HB3 GLU 52 2HB GLU 52 -0.311 -13.676 -2.296 388 HG2 GLU 52 1HG GLU 52 1.925 -13.069 -1.907 389 HG3 GLU 52 2HG GLU 52 2.165 -14.386 -0.759 390 H THR 53 H THR 53 1.655 -12.558 1.025 391 HA THR 53 HA THR 53 2.624 -14.890 2.365 392 HB THR 53 HB THR 53 3.364 -11.974 2.645 393 HG1 THR 53 1HG THR 53 5.288 -13.632 1.730 394 HG21 THR 53 1HG2 THR 53 4.596 -14.416 3.921 395 HG22 THR 53 2HG2 THR 53 3.872 -13.034 4.742 396 HG23 THR 53 3HG2 THR 53 5.377 -12.838 3.845 397 H TYR 54 H TYR 54 0.617 -12.154 3.255 398 HA TYR 54 HA TYR 54 0.263 -13.355 5.923 399 HB2 TYR 54 1HB TYR 54 -0.027 -10.432 5.203 400 HB3 TYR 54 2HB TYR 54 -0.166 -11.134 6.811 401 HD1 TYR 54 2HD TYR 54 2.218 -10.525 4.034 402 HD2 TYR 54 1HD TYR 54 1.738 -11.437 8.161 403 HE1 TYR 54 2HE TYR 54 4.628 -10.181 4.384 404 HE2 TYR 54 1HE TYR 54 4.146 -11.094 8.524 405 HH TYR 54 HH TYR 54 6.312 -11.274 6.787 406 H LYS 55 H LYS 55 -1.194 -13.934 3.454 407 HA LYS 55 HA LYS 55 -3.751 -12.654 3.603 408 HB2 LYS 55 1HB LYS 55 -4.412 -14.103 1.848 409 HB3 LYS 55 2HB LYS 55 -2.727 -13.707 1.538 410 HG2 LYS 55 1HG LYS 55 -2.108 -15.872 2.626 411 HG3 LYS 55 2HG LYS 55 -3.828 -16.266 2.672 412 HD2 LYS 55 1HD LYS 55 -3.970 -16.513 0.393 413 HD3 LYS 55 2HD LYS 55 -2.621 -15.418 0.083 414 HE2 LYS 55 1HE LYS 55 -1.734 -17.500 -0.434 415 HE3 LYS 55 2HE LYS 55 -1.184 -17.236 1.220 416 HZ1 LYS 55 1HZ LYS 55 -2.247 -19.050 1.871 417 HZ2 LYS 55 2HZ LYS 55 -2.634 -19.385 0.259 418 HZ3 LYS 55 3HZ LYS 55 -3.712 -18.505 1.221 419 H ASP 56 H ASP 56 -2.303 -15.506 4.987 420 HA ASP 56 HA ASP 56 -4.869 -16.130 6.297 421 HB2 ASP 56 1HB ASP 56 -3.698 -17.835 4.661 422 HB3 ASP 56 2HB ASP 56 -2.695 -18.171 6.070 423 H HIS 57 H HIS 57 -2.626 -14.293 7.073 424 HA HIS 57 HA HIS 57 -1.144 -15.400 9.188 425 HB2 HIS 57 1HB HIS 57 -1.144 -13.000 7.930 426 HB3 HIS 57 2HB HIS 57 -1.934 -12.561 9.442 427 HD1 HIS 57 1HD HIS 57 -0.500 -12.501 11.548 428 HD2 HIS 57 2HD HIS 57 1.550 -13.847 8.194 429 HE1 HIS 57 1HE HIS 57 1.924 -12.547 12.215 430 HE2 HIS 57 2HE HIS 57 3.153 -13.282 10.143 431 H GLU 58 H GLU 58 -1.495 -14.052 11.456 432 HA GLU 58 HA GLU 58 -4.147 -14.939 12.358 433 HB2 GLU 58 1HB GLU 58 -3.114 -14.945 14.634 434 HB3 GLU 58 2HB GLU 58 -2.383 -16.080 13.510 435 HG2 GLU 58 1HG GLU 58 -1.233 -13.352 13.977 436 HG3 GLU 58 2HG GLU 58 -0.830 -14.728 15.002 437 H ASN 59 H ASN 59 -1.833 -12.274 12.591 438 HA ASN 59 HA ASN 59 -4.047 -10.540 13.469 439 HB2 ASN 59 1HB ASN 59 -2.511 -9.254 14.813 440 HB3 ASN 59 2HB ASN 59 -2.353 -10.950 15.261 441 HD21 ASN 59 1HD2 ASN 59 -0.439 -11.961 15.002 442 HD22 ASN 59 2HD2 ASN 59 0.989 -11.197 14.400 443 H ILE 60 H ILE 60 -1.608 -11.150 11.189 444 HA ILE 60 HA ILE 60 -1.554 -8.395 10.217 445 HB ILE 60 HB ILE 60 -0.081 -10.792 9.123 446 HG12 ILE 60 1HG1 ILE 60 0.785 -8.692 11.119 447 HG13 ILE 60 2HG1 ILE 60 0.632 -10.422 11.404 448 HG21 ILE 60 1HG2 ILE 60 1.050 -8.134 8.733 449 HG22 ILE 60 2HG2 ILE 60 0.801 -9.442 7.577 450 HG23 ILE 60 3HG2 ILE 60 -0.524 -8.345 7.965 451 HD11 ILE 60 1HD1 ILE 60 2.479 -10.869 9.928 452 HD12 ILE 60 2HD1 ILE 60 2.588 -9.162 9.499 453 HD13 ILE 60 3HD1 ILE 60 2.960 -9.684 11.142 454 H VAL 61 H VAL 61 -2.809 -7.714 8.613 455 HA VAL 61 HA VAL 61 -3.820 -9.643 6.652 456 HB VAL 61 HB VAL 61 -5.476 -7.879 8.412 457 HG11 VAL 61 1HG1 VAL 61 -5.900 -8.397 5.530 458 HG12 VAL 61 2HG1 VAL 61 -7.305 -8.553 6.586 459 HG13 VAL 61 3HG1 VAL 61 -6.410 -7.034 6.526 460 HG21 VAL 61 1HG2 VAL 61 -5.159 -10.338 8.817 461 HG22 VAL 61 2HG2 VAL 61 -6.836 -9.818 8.650 462 HG23 VAL 61 3HG2 VAL 61 -6.026 -10.627 7.309 463 H ILE 62 H ILE 62 -3.027 -8.920 4.788 464 HA ILE 62 HA ILE 62 -2.536 -6.110 4.339 465 HB ILE 62 HB ILE 62 -2.224 -8.445 2.448 466 HG12 ILE 62 1HG1 ILE 62 -0.790 -8.620 4.444 467 HG13 ILE 62 2HG1 ILE 62 0.158 -8.315 2.993 468 HG21 ILE 62 1HG2 ILE 62 -2.178 -5.663 1.965 469 HG22 ILE 62 2HG2 ILE 62 -0.515 -6.239 1.867 470 HG23 ILE 62 3HG2 ILE 62 -1.762 -6.970 0.857 471 HD11 ILE 62 1HD1 ILE 62 0.443 -6.015 3.600 472 HD12 ILE 62 2HD1 ILE 62 -0.649 -6.200 4.972 473 HD13 ILE 62 3HD1 ILE 62 0.906 -7.032 4.964 474 H ALA 63 H ALA 63 -3.609 -4.759 2.957 475 HA ALA 63 HA ALA 63 -5.788 -5.770 1.323 476 HB1 ALA 63 1HB ALA 63 -7.278 -3.911 2.370 477 HB2 ALA 63 2HB ALA 63 -7.127 -5.472 3.177 478 HB3 ALA 63 3HB ALA 63 -6.201 -4.087 3.756 479 H LYS 64 H LYS 64 -6.555 -4.243 -0.224 480 HA LYS 64 HA LYS 64 -4.885 -1.838 -0.516 481 HB2 LYS 64 1HB LYS 64 -4.661 -2.223 -2.882 482 HB3 LYS 64 2HB LYS 64 -4.116 -3.662 -2.029 483 HG2 LYS 64 1HG LYS 64 -6.181 -4.797 -2.530 484 HG3 LYS 64 2HG LYS 64 -6.839 -3.337 -3.272 485 HD2 LYS 64 1HD LYS 64 -4.998 -3.424 -4.940 486 HD3 LYS 64 2HD LYS 64 -4.488 -4.962 -4.240 487 HE2 LYS 64 1HE LYS 64 -6.826 -5.800 -4.703 488 HE3 LYS 64 2HE LYS 64 -7.076 -4.329 -5.642 489 HZ1 LYS 64 1HZ LYS 64 -5.395 -6.650 -6.232 490 HZ2 LYS 64 2HZ LYS 64 -4.856 -5.137 -6.762 491 HZ3 LYS 64 3HZ LYS 64 -6.360 -5.724 -7.269 492 H MET 65 H MET 65 -5.862 -0.057 -1.513 493 HA MET 65 HA MET 65 -8.664 -0.268 -2.284 494 HB2 MET 65 1HB MET 65 -8.493 0.240 0.210 495 HB3 MET 65 2HB MET 65 -7.819 1.796 -0.256 496 HG2 MET 65 1HG MET 65 -9.828 2.427 -1.358 497 HG3 MET 65 2HG MET 65 -10.492 0.802 -1.200 498 HE1 MET 65 1HE MET 65 -11.189 4.230 1.501 499 HE2 MET 65 2HE MET 65 -10.111 4.215 0.105 500 HE3 MET 65 3HE MET 65 -11.823 3.839 -0.098 501 H ASP 66 H ASP 66 -9.315 1.275 -3.744 502 HA ASP 66 HA ASP 66 -7.172 2.836 -4.948 503 HB2 ASP 66 1HB ASP 66 -9.875 2.981 -6.122 504 HB3 ASP 66 2HB ASP 66 -8.322 2.683 -6.897 505 H SER 67 H SER 67 -6.843 4.643 -3.744 506 HA SER 67 HA SER 67 -8.827 6.161 -2.470 507 HB2 SER 67 1HB SER 67 -6.235 6.200 -2.199 508 HB3 SER 67 2HB SER 67 -6.288 7.407 -3.484 509 HG SER 67 HG SER 67 -7.665 7.536 -1.003 510 H THR 68 H THR 68 -7.888 5.984 -5.763 511 HA THR 68 HA THR 68 -8.941 8.579 -6.487 512 HB THR 68 HB THR 68 -8.243 8.148 -8.678 513 HG1 THR 68 1HG THR 68 -8.142 5.367 -8.055 514 HG21 THR 68 1HG2 THR 68 -6.413 8.107 -6.858 515 HG22 THR 68 2HG2 THR 68 -5.988 7.568 -8.482 516 HG23 THR 68 3HG2 THR 68 -6.305 6.384 -7.214 517 H ALA 69 H ALA 69 -10.102 5.347 -6.187 518 HA ALA 69 HA ALA 69 -12.571 6.057 -7.626 519 HB1 ALA 69 1HB ALA 69 -11.246 4.029 -8.362 520 HB2 ALA 69 2HB ALA 69 -11.736 3.277 -6.843 521 HB3 ALA 69 3HB ALA 69 -12.956 3.764 -8.020 522 H ASN 70 H ASN 70 -11.259 5.624 -4.550 523 HA ASN 70 HA ASN 70 -13.942 5.620 -3.378 524 HB2 ASN 70 1HB ASN 70 -11.704 3.899 -2.298 525 HB3 ASN 70 2HB ASN 70 -13.365 3.970 -1.718 526 HD21 ASN 70 1HD2 ASN 70 -11.201 2.625 -3.999 527 HD22 ASN 70 2HD2 ASN 70 -12.333 1.598 -4.805 528 H GLU 71 H GLU 71 -14.135 7.334 -2.111 529 HA GLU 71 HA GLU 71 -11.710 8.450 -0.870 530 HB2 GLU 71 1HB GLU 71 -13.279 9.771 -2.539 531 HB3 GLU 71 2HB GLU 71 -14.245 10.014 -1.090 532 HG2 GLU 71 1HG GLU 71 -12.642 11.307 -0.070 533 HG3 GLU 71 2HG GLU 71 -11.328 10.617 -1.022 534 H VAL 72 H VAL 72 -11.579 8.664 1.291 535 HA VAL 72 HA VAL 72 -13.995 8.282 2.908 536 HB VAL 72 HB VAL 72 -12.684 6.814 4.467 537 HG11 VAL 72 1HG1 VAL 72 -13.437 5.968 1.697 538 HG12 VAL 72 2HG1 VAL 72 -12.782 4.798 2.845 539 HG13 VAL 72 3HG1 VAL 72 -14.269 5.668 3.222 540 HG21 VAL 72 1HG2 VAL 72 -10.713 7.042 2.233 541 HG22 VAL 72 2HG2 VAL 72 -10.445 7.107 3.975 542 HG23 VAL 72 3HG2 VAL 72 -10.788 5.564 3.192 543 H GLU 73 H GLU 73 -14.035 9.414 4.805 544 HA GLU 73 HA GLU 73 -12.153 11.559 5.074 545 HB2 GLU 73 1HB GLU 73 -13.551 12.338 6.868 546 HB3 GLU 73 2HB GLU 73 -14.586 11.788 5.558 547 HG2 GLU 73 1HG GLU 73 -14.838 9.622 6.782 548 HG3 GLU 73 2HG GLU 73 -13.986 10.364 8.136 549 H ALA 74 H ALA 74 -12.696 8.480 6.629 550 HA ALA 74 HA ALA 74 -11.216 8.859 8.973 551 HB1 ALA 74 1HB ALA 74 -12.691 6.837 8.025 552 HB2 ALA 74 2HB ALA 74 -11.080 6.196 7.699 553 HB3 ALA 74 3HB ALA 74 -11.533 6.650 9.342 554 H VAL 75 H VAL 75 -10.168 8.912 5.787 555 HA VAL 75 HA VAL 75 -7.392 8.902 6.634 556 HB VAL 75 HB VAL 75 -8.502 6.887 4.701 557 HG11 VAL 75 1HG1 VAL 75 -6.815 7.603 3.339 558 HG12 VAL 75 2HG1 VAL 75 -5.837 8.205 4.679 559 HG13 VAL 75 3HG1 VAL 75 -5.915 6.473 4.350 560 HG21 VAL 75 1HG2 VAL 75 -6.665 5.567 6.074 561 HG22 VAL 75 2HG2 VAL 75 -6.967 6.849 7.247 562 HG23 VAL 75 3HG2 VAL 75 -8.292 5.817 6.708 563 H LYS 76 H LYS 76 -6.444 10.594 5.727 564 HA LYS 76 HA LYS 76 -7.584 11.695 3.252 565 HB2 LYS 76 1HB LYS 76 -5.852 12.976 5.373 566 HB3 LYS 76 2HB LYS 76 -6.364 13.778 3.893 567 HG2 LYS 76 1HG LYS 76 -8.416 12.605 5.711 568 HG3 LYS 76 2HG LYS 76 -7.669 14.152 6.114 569 HD2 LYS 76 1HD LYS 76 -8.371 15.073 3.977 570 HD3 LYS 76 2HD LYS 76 -9.054 13.515 3.508 571 HE2 LYS 76 1HE LYS 76 -10.930 14.617 4.249 572 HE3 LYS 76 2HE LYS 76 -10.423 13.787 5.720 573 HZ1 LYS 76 1HZ LYS 76 -10.768 15.903 6.481 574 HZ2 LYS 76 2HZ LYS 76 -10.258 16.640 5.047 575 HZ3 LYS 76 3HZ LYS 76 -9.119 15.985 6.113 576 H VAL 77 H VAL 77 -6.549 11.067 1.478 577 HA VAL 77 HA VAL 77 -3.617 10.789 1.584 578 HB VAL 77 HB VAL 77 -5.453 9.501 -0.435 579 HG11 VAL 77 1HG1 VAL 77 -3.218 9.731 -1.257 580 HG12 VAL 77 2HG1 VAL 77 -2.544 9.119 0.255 581 HG13 VAL 77 3HG1 VAL 77 -3.460 8.044 -0.803 582 HG21 VAL 77 1HG2 VAL 77 -5.317 7.464 0.802 583 HG22 VAL 77 2HG2 VAL 77 -4.196 8.176 1.962 584 HG23 VAL 77 3HG2 VAL 77 -5.872 8.722 1.907 585 H HIS 78 H HIS 78 -2.624 12.474 0.704 586 HA HIS 78 HA HIS 78 -3.885 13.825 -1.587 587 HB2 HIS 78 1HB HIS 78 -1.708 14.950 0.176 588 HB3 HIS 78 2HB HIS 78 -2.721 15.819 -0.973 589 HD1 HIS 78 1HD HIS 78 -5.190 16.291 -0.248 590 HD2 HIS 78 2HD HIS 78 -2.809 14.578 2.693 591 HE1 HIS 78 1HE HIS 78 -6.460 16.589 1.902 592 HE2 HIS 78 2HE HIS 78 -4.960 15.621 3.680 593 H SER 79 H SER 79 -2.134 11.379 -1.531 594 HA SER 79 HA SER 79 -0.570 12.015 -3.818 595 HB2 SER 79 1HB SER 79 0.770 11.893 -1.156 596 HB3 SER 79 2HB SER 79 1.598 11.159 -2.529 597 HG SER 79 HG SER 79 2.099 13.410 -2.184 598 H PHE 80 H PHE 80 0.764 10.096 -4.519 599 HA PHE 80 HA PHE 80 0.170 7.548 -3.344 600 HB2 PHE 80 1HB PHE 80 -0.912 7.939 -6.123 601 HB3 PHE 80 2HB PHE 80 -1.237 6.632 -4.989 602 HD1 PHE 80 1HD PHE 80 -2.759 6.981 -3.097 603 HD2 PHE 80 2HD PHE 80 -2.138 9.980 -6.053 604 HE1 PHE 80 1HE PHE 80 -4.795 8.139 -2.345 605 HE2 PHE 80 2HE PHE 80 -4.173 11.143 -5.305 606 HZ PHE 80 HZ PHE 80 -5.504 10.224 -3.448 607 HA PRO 81 HA PRO 81 0.123 5.381 -4.251 608 HB2 PRO 81 1HB PRO 81 1.933 3.543 -3.406 609 HB3 PRO 81 2HB PRO 81 1.318 3.594 -5.062 610 HG2 PRO 81 1HG PRO 81 3.895 4.651 -3.966 611 HG3 PRO 81 2HG PRO 81 3.600 3.763 -5.472 612 HD2 PRO 81 1HD PRO 81 3.908 6.453 -5.402 613 HD3 PRO 81 2HD PRO 81 2.857 5.642 -6.581 614 H THR 82 H THR 82 -0.473 5.043 -2.128 615 HA THR 82 HA THR 82 1.318 6.126 -0.056 616 HB THR 82 HB THR 82 -1.620 6.667 -0.440 617 HG1 THR 82 1HG THR 82 -0.564 8.847 0.161 618 HG21 THR 82 1HG2 THR 82 0.012 7.130 2.061 619 HG22 THR 82 2HG2 THR 82 -1.305 5.970 1.884 620 HG23 THR 82 3HG2 THR 82 -1.634 7.700 1.784 621 H LEU 83 H LEU 83 1.544 4.914 1.735 622 HA LEU 83 HA LEU 83 -0.243 2.591 2.045 623 HB2 LEU 83 1HB LEU 83 2.654 2.717 2.851 624 HB3 LEU 83 2HB LEU 83 1.600 1.305 2.867 625 HG LEU 83 HG LEU 83 2.577 2.742 0.400 626 HD11 LEU 83 1HD1 LEU 83 3.972 0.819 0.032 627 HD12 LEU 83 2HD1 LEU 83 3.340 0.034 1.479 628 HD13 LEU 83 3HD1 LEU 83 4.325 1.489 1.625 629 HD21 LEU 83 1HD2 LEU 83 1.679 0.496 -0.589 630 HD22 LEU 83 2HD2 LEU 83 0.575 1.837 -0.283 631 HD23 LEU 83 3HD2 LEU 83 0.668 0.494 0.857 632 H LYS 84 H LYS 84 -1.122 2.232 4.009 633 HA LYS 84 HA LYS 84 -0.135 3.783 6.297 634 HB2 LYS 84 1HB LYS 84 -3.075 3.508 5.673 635 HB3 LYS 84 2HB LYS 84 -2.328 4.506 6.915 636 HG2 LYS 84 1HG LYS 84 -1.148 5.581 4.792 637 HG3 LYS 84 2HG LYS 84 -2.612 4.984 4.007 638 HD2 LYS 84 1HD LYS 84 -4.005 6.259 5.452 639 HD3 LYS 84 2HD LYS 84 -2.651 6.660 6.510 640 HE2 LYS 84 1HE LYS 84 -2.672 7.469 3.622 641 HE3 LYS 84 2HE LYS 84 -3.477 8.443 4.851 642 HZ1 LYS 84 1HZ LYS 84 -0.682 7.628 5.256 643 HZ2 LYS 84 2HZ LYS 84 -1.498 8.987 5.846 644 HZ3 LYS 84 3HZ LYS 84 -1.024 8.924 4.223 645 H PHE 85 H PHE 85 0.187 2.529 8.006 646 HA PHE 85 HA PHE 85 -0.929 -0.166 8.018 647 HB2 PHE 85 1HB PHE 85 1.434 -0.061 8.421 648 HB3 PHE 85 2HB PHE 85 1.223 1.157 9.675 649 HD1 PHE 85 1HD PHE 85 0.402 0.547 11.878 650 HD2 PHE 85 2HD PHE 85 1.018 -2.388 8.857 651 HE1 PHE 85 1HE PHE 85 0.287 -1.225 13.581 652 HE2 PHE 85 2HE PHE 85 0.903 -4.165 10.556 653 HZ PHE 85 HZ PHE 85 0.536 -3.584 12.921 654 H PHE 86 H PHE 86 -2.527 -0.804 9.318 655 HA PHE 86 HA PHE 86 -3.511 1.108 11.321 656 HB2 PHE 86 1HB PHE 86 -4.963 -1.211 10.030 657 HB3 PHE 86 2HB PHE 86 -5.666 -0.031 11.131 658 HD1 PHE 86 1HD PHE 86 -3.629 2.024 9.494 659 HD2 PHE 86 2HD PHE 86 -6.992 -0.442 8.642 660 HE1 PHE 86 1HE PHE 86 -4.198 3.466 7.583 661 HE2 PHE 86 2HE PHE 86 -7.566 0.995 6.730 662 HZ PHE 86 HZ PHE 86 -6.168 2.952 6.198 663 HA PRO 87 HA PRO 87 -1.809 -1.874 14.225 664 HB2 PRO 87 1HB PRO 87 -2.147 -0.286 16.401 665 HB3 PRO 87 2HB PRO 87 -0.801 -0.093 15.272 666 HG2 PRO 87 1HG PRO 87 -3.371 1.434 15.434 667 HG3 PRO 87 2HG PRO 87 -1.725 2.038 15.169 668 HD2 PRO 87 1HD PRO 87 -3.497 1.703 13.149 669 HD3 PRO 87 2HD PRO 87 -1.748 1.487 12.931 670 H ALA 88 H ALA 88 -2.636 -2.869 16.237 671 HA ALA 88 HA ALA 88 -5.414 -3.517 15.965 672 HB1 ALA 88 1HB ALA 88 -5.024 -5.039 17.845 673 HB2 ALA 88 2HB ALA 88 -3.796 -5.222 16.592 674 HB3 ALA 88 3HB ALA 88 -3.420 -4.341 18.073 675 H SER 89 H SER 89 -5.597 -0.940 16.357 676 HA SER 89 HA SER 89 -6.350 -0.625 19.190 677 HB2 SER 89 1HB SER 89 -5.063 1.304 17.283 678 HB3 SER 89 2HB SER 89 -6.047 1.906 18.617 679 HG SER 89 HG SER 89 -4.067 -0.008 19.140 680 H ALA 90 H ALA 90 -8.415 -0.152 19.597 681 HA ALA 90 HA ALA 90 -10.325 -0.104 17.483 682 HB1 ALA 90 1HB ALA 90 -11.558 -0.882 19.156 683 HB2 ALA 90 2HB ALA 90 -10.352 -0.383 20.342 684 HB3 ALA 90 3HB ALA 90 -11.600 0.750 19.823 685 H ASP 91 H ASP 91 -8.283 2.237 18.430 686 HA ASP 91 HA ASP 91 -10.172 4.454 18.311 687 HB2 ASP 91 1HB ASP 91 -7.170 4.669 18.503 688 HB3 ASP 91 2HB ASP 91 -8.380 5.856 18.983 689 H ARG 92 H ARG 92 -9.819 2.779 15.978 690 HA ARG 92 HA ARG 92 -9.140 2.849 13.763 691 HB2 ARG 92 1HB ARG 92 -10.215 4.730 12.612 692 HB3 ARG 92 2HB ARG 92 -11.269 4.043 13.841 693 HG2 ARG 92 1HG ARG 92 -10.311 5.917 15.353 694 HG3 ARG 92 2HG ARG 92 -9.844 6.666 13.825 695 HD2 ARG 92 1HD ARG 92 -12.634 5.668 14.189 696 HD3 ARG 92 2HD ARG 92 -12.160 7.204 14.913 697 HE ARG 92 HE ARG 92 -11.494 6.957 12.122 698 HH11 ARG 92 2HH1 ARG 92 -13.920 7.900 14.433 699 HH12 ARG 92 1HH1 ARG 92 -14.732 8.971 13.340 700 HH21 ARG 92 2HH2 ARG 92 -12.555 8.363 10.673 701 HH22 ARG 92 1HH2 ARG 92 -13.955 9.233 11.201 702 H THR 93 H THR 93 -6.941 3.488 15.378 703 HA THR 93 HA THR 93 -5.678 5.901 14.535 704 HB THR 93 HB THR 93 -4.404 3.424 15.716 705 HG1 THR 93 1HG THR 93 -5.104 4.129 17.592 706 HG21 THR 93 1HG2 THR 93 -3.379 6.054 14.909 707 HG22 THR 93 2HG2 THR 93 -2.521 4.537 15.182 708 HG23 THR 93 3HG2 THR 93 -2.941 5.571 16.548 709 H VAL 94 H VAL 94 -3.941 6.172 13.102 710 HA VAL 94 HA VAL 94 -3.459 3.958 11.225 711 HB VAL 94 HB VAL 94 -4.114 6.816 10.526 712 HG11 VAL 94 1HG1 VAL 94 -2.825 4.684 8.838 713 HG12 VAL 94 2HG1 VAL 94 -3.643 6.092 8.158 714 HG13 VAL 94 3HG1 VAL 94 -2.225 6.305 9.186 715 HG21 VAL 94 1HG2 VAL 94 -5.297 4.360 9.294 716 HG22 VAL 94 2HG2 VAL 94 -5.881 4.942 10.853 717 HG23 VAL 94 3HG2 VAL 94 -5.978 5.981 9.432 718 H ILE 95 H ILE 95 -1.386 3.697 10.577 719 HA ILE 95 HA ILE 95 0.582 5.615 11.638 720 HB ILE 95 HB ILE 95 0.845 2.661 11.083 721 HG12 ILE 95 1HG1 ILE 95 1.064 4.308 13.613 722 HG13 ILE 95 2HG1 ILE 95 -0.241 3.202 13.198 723 HG21 ILE 95 1HG2 ILE 95 2.935 4.734 11.664 724 HG22 ILE 95 2HG2 ILE 95 3.179 3.034 12.064 725 HG23 ILE 95 3HG2 ILE 95 2.909 3.516 10.389 726 HD11 ILE 95 1HD1 ILE 95 2.492 2.636 14.175 727 HD12 ILE 95 2HD1 ILE 95 0.958 1.855 14.564 728 HD13 ILE 95 3HD1 ILE 95 1.773 1.490 13.043 729 H ASP 96 H ASP 96 2.015 6.563 10.302 730 HA ASP 96 HA ASP 96 1.603 6.301 7.461 731 HB2 ASP 96 1HB ASP 96 3.158 8.159 7.256 732 HB3 ASP 96 2HB ASP 96 1.988 8.503 8.528 733 H TYR 97 H TYR 97 2.822 5.224 6.032 734 HA TYR 97 HA TYR 97 5.130 3.741 7.072 735 HB2 TYR 97 1HB TYR 97 3.290 2.439 6.037 736 HB3 TYR 97 2HB TYR 97 3.562 3.294 4.523 737 HD1 TYR 97 1HD TYR 97 5.790 3.011 3.359 738 HD2 TYR 97 2HD TYR 97 4.570 0.546 6.605 739 HE1 TYR 97 1HE TYR 97 7.468 1.334 2.708 740 HE2 TYR 97 2HE TYR 97 6.246 -1.137 5.965 741 HH TYR 97 HH TYR 97 8.765 -0.536 3.916 742 H ASN 98 H ASN 98 7.032 4.664 6.718 743 HA ASN 98 HA ASN 98 7.561 5.813 4.067 744 HB2 ASN 98 1HB ASN 98 8.032 7.073 6.752 745 HB3 ASN 98 2HB ASN 98 9.069 7.482 5.388 746 HD21 ASN 98 1HD2 ASN 98 5.867 7.667 6.716 747 HD22 ASN 98 2HD2 ASN 98 5.262 8.858 5.619 748 H GLY 99 H GLY 99 8.385 3.475 4.034 749 HA2 GLY 99 1HA GLY 99 11.173 3.452 5.019 750 HA3 GLY 99 2HA GLY 99 10.172 2.008 4.951 751 H GLU 100 H GLU 100 11.649 0.922 3.628 752 HA GLU 100 HA GLU 100 12.642 1.971 1.195 753 HB2 GLU 100 1HB GLU 100 13.157 -0.443 0.680 754 HB3 GLU 100 2HB GLU 100 13.828 0.163 2.187 755 HG2 GLU 100 1HG GLU 100 12.068 -0.922 3.444 756 HG3 GLU 100 2HG GLU 100 11.311 -1.470 1.950 757 H ARG 101 H ARG 101 9.648 0.502 2.080 758 HA ARG 101 HA ARG 101 7.733 0.080 0.929 759 HB2 ARG 101 1HB ARG 101 8.477 2.422 -0.007 760 HB3 ARG 101 2HB ARG 101 8.793 1.509 -1.476 761 HG2 ARG 101 1HG ARG 101 6.378 0.632 -1.159 762 HG3 ARG 101 2HG ARG 101 6.196 2.033 -0.101 763 HD2 ARG 101 1HD ARG 101 7.248 2.239 -2.911 764 HD3 ARG 101 2HD ARG 101 5.530 2.347 -2.529 765 HE ARG 101 HE ARG 101 7.562 4.336 -2.011 766 HH11 ARG 101 2HH1 ARG 101 4.362 3.186 -1.262 767 HH12 ARG 101 1HH1 ARG 101 3.807 4.719 -0.677 768 HH21 ARG 101 2HH2 ARG 101 6.842 6.360 -1.242 769 HH22 ARG 101 1HH2 ARG 101 5.218 6.524 -0.667 770 H THR 102 H THR 102 9.451 -1.980 0.912 771 HA THR 102 HA THR 102 9.162 -3.071 -1.808 772 HB THR 102 HB THR 102 11.234 -4.301 -1.585 773 HG1 THR 102 1HG THR 102 11.156 -3.253 1.031 774 HG21 THR 102 1HG2 THR 102 12.537 -2.573 -2.218 775 HG22 THR 102 2HG2 THR 102 12.253 -1.682 -0.723 776 HG23 THR 102 3HG2 THR 102 11.066 -1.620 -2.025 777 H LEU 103 H LEU 103 8.811 -5.342 -1.940 778 HA LEU 103 HA LEU 103 6.929 -6.421 -0.305 779 HB2 LEU 103 1HB LEU 103 7.416 -7.465 -2.377 780 HB3 LEU 103 2HB LEU 103 9.080 -7.791 -1.897 781 HG LEU 103 HG LEU 103 8.171 -9.384 -0.182 782 HD11 LEU 103 1HD1 LEU 103 5.687 -8.298 -1.175 783 HD12 LEU 103 2HD1 LEU 103 5.995 -9.290 0.250 784 HD13 LEU 103 3HD1 LEU 103 5.726 -10.056 -1.315 785 HD21 LEU 103 1HD2 LEU 103 8.363 -11.083 -1.653 786 HD22 LEU 103 2HD2 LEU 103 8.834 -9.792 -2.758 787 HD23 LEU 103 3HD2 LEU 103 7.178 -10.400 -2.765 788 H ASP 104 H ASP 104 10.438 -6.900 -0.004 789 HA ASP 104 HA ASP 104 10.221 -8.480 2.366 790 HB2 ASP 104 1HB ASP 104 12.171 -8.253 0.584 791 HB3 ASP 104 2HB ASP 104 12.737 -7.017 1.703 792 H GLY 105 H GLY 105 10.713 -5.069 1.679 793 HA2 GLY 105 1HA GLY 105 11.494 -4.253 4.262 794 HA3 GLY 105 2HA GLY 105 10.755 -3.224 3.044 795 H PHE 106 H PHE 106 8.318 -4.740 2.821 796 HA PHE 106 HA PHE 106 6.811 -3.487 4.846 797 HB2 PHE 106 1HB PHE 106 6.045 -5.729 2.964 798 HB3 PHE 106 2HB PHE 106 4.910 -4.812 3.949 799 HD1 PHE 106 2HD PHE 106 5.819 -2.079 3.663 800 HD2 PHE 106 1HD PHE 106 5.629 -5.190 0.765 801 HE1 PHE 106 2HE PHE 106 5.627 -0.398 1.877 802 HE2 PHE 106 1HE PHE 106 5.438 -3.514 -1.027 803 HZ PHE 106 HZ PHE 106 5.435 -1.115 -0.472 804 H LYS 107 H LYS 107 7.843 -6.846 4.398 805 HA LYS 107 HA LYS 107 6.488 -8.040 6.496 806 HB2 LYS 107 1HB LYS 107 9.289 -8.673 5.548 807 HB3 LYS 107 2HB LYS 107 8.248 -9.746 6.474 808 HG2 LYS 107 1HG LYS 107 6.619 -9.318 4.428 809 HG3 LYS 107 2HG LYS 107 8.150 -9.008 3.606 810 HD2 LYS 107 1HD LYS 107 8.887 -11.243 4.721 811 HD3 LYS 107 2HD LYS 107 7.152 -11.527 4.875 812 HE2 LYS 107 1HE LYS 107 6.987 -11.031 2.400 813 HE3 LYS 107 2HE LYS 107 8.748 -11.099 2.359 814 HZ1 LYS 107 1HZ LYS 107 7.176 -13.330 3.481 815 HZ2 LYS 107 2HZ LYS 107 8.751 -13.346 2.866 816 HZ3 LYS 107 3HZ LYS 107 7.435 -13.209 1.813 817 H LYS 108 H LYS 108 9.572 -6.306 6.534 818 HA LYS 108 HA LYS 108 10.249 -6.823 9.212 819 HB2 LYS 108 1HB LYS 108 10.943 -4.298 7.717 820 HB3 LYS 108 2HB LYS 108 11.859 -5.082 8.998 821 HG2 LYS 108 1HG LYS 108 12.156 -7.032 7.424 822 HG3 LYS 108 2HG LYS 108 11.502 -5.990 6.158 823 HD2 LYS 108 1HD LYS 108 13.315 -4.316 6.904 824 HD3 LYS 108 2HD LYS 108 14.054 -5.702 7.709 825 HE2 LYS 108 1HE LYS 108 13.797 -6.864 5.411 826 HE3 LYS 108 2HE LYS 108 13.604 -5.227 4.785 827 HZ1 LYS 108 1HZ LYS 108 15.969 -6.512 5.935 828 HZ2 LYS 108 2HZ LYS 108 15.774 -4.851 6.187 829 HZ3 LYS 108 3HZ LYS 108 15.845 -5.464 4.612 830 H PHE 109 H PHE 109 8.526 -4.085 7.738 831 HA PHE 109 HA PHE 109 8.116 -2.640 10.112 832 HB2 PHE 109 1HB PHE 109 7.827 -1.721 7.814 833 HB3 PHE 109 2HB PHE 109 6.352 -2.668 7.655 834 HD1 PHE 109 1HD PHE 109 4.353 -2.078 8.902 835 HD2 PHE 109 2HD PHE 109 7.904 0.251 9.187 836 HE1 PHE 109 1HE PHE 109 3.065 -0.246 9.923 837 HE2 PHE 109 2HE PHE 109 6.623 2.086 10.209 838 HZ PHE 109 HZ PHE 109 4.200 1.838 10.580 839 H LEU 110 H LEU 110 6.143 -5.086 8.484 840 HA LEU 110 HA LEU 110 3.936 -4.919 10.249 841 HB2 LEU 110 1HB LEU 110 4.854 -7.215 8.524 842 HB3 LEU 110 2HB LEU 110 3.275 -7.084 9.296 843 HG LEU 110 HG LEU 110 4.242 -5.065 7.289 844 HD11 LEU 110 1HD1 LEU 110 2.348 -7.154 6.428 845 HD12 LEU 110 2HD1 LEU 110 4.029 -7.653 6.612 846 HD13 LEU 110 3HD1 LEU 110 3.617 -6.325 5.527 847 HD21 LEU 110 1HD2 LEU 110 1.984 -5.270 8.965 848 HD22 LEU 110 2HD2 LEU 110 1.433 -5.577 7.318 849 HD23 LEU 110 3HD2 LEU 110 2.295 -4.085 7.697 850 H GLU 111 H GLU 111 6.390 -7.498 9.964 851 HA GLU 111 HA GLU 111 5.835 -9.046 12.089 852 HB2 GLU 111 1HB GLU 111 8.506 -8.110 11.070 853 HB3 GLU 111 2HB GLU 111 8.388 -9.254 12.400 854 HG2 GLU 111 1HG GLU 111 6.818 -10.529 10.714 855 HG3 GLU 111 2HG GLU 111 7.740 -9.609 9.526 856 H SER 112 H SER 112 7.440 -5.904 12.238 857 HA SER 112 HA SER 112 8.026 -5.963 15.002 858 HB2 SER 112 1HB SER 112 7.622 -3.607 13.144 859 HB3 SER 112 2HB SER 112 8.297 -3.503 14.770 860 HG SER 112 HG SER 112 9.767 -5.277 13.751 861 H GLY 113 H GLY 113 5.259 -4.746 13.161 862 HA2 GLY 113 1HA GLY 113 3.048 -4.950 14.138 863 HA3 GLY 113 2HA GLY 113 3.767 -4.597 15.702 864 H GLY 114 H GLY 114 4.494 -2.864 12.728 865 HA2 GLY 114 1HA GLY 114 3.857 -0.745 12.027 866 HA3 GLY 114 2HA GLY 114 2.720 -0.678 13.364 867 H GLN 115 H GLN 115 6.224 -1.215 13.434 868 HA GLN 115 HA GLN 115 6.457 0.988 15.338 869 HB2 GLN 115 1HB GLN 115 8.417 -1.168 14.536 870 HB3 GLN 115 2HB GLN 115 8.741 0.081 15.731 871 HG2 GLN 115 1HG GLN 115 6.731 -0.781 16.991 872 HG3 GLN 115 2HG GLN 115 6.749 -2.158 15.889 873 HE21 GLN 115 1HE2 GLN 115 8.813 -0.349 18.120 874 HE22 GLN 115 2HE2 GLN 115 9.723 -1.713 18.663 875 H SER 116 H SER 116 6.639 2.894 14.315 876 HA SER 116 HA SER 116 8.528 3.093 12.068 877 HB2 SER 116 1HB SER 116 7.324 5.046 11.341 878 HB3 SER 116 2HB SER 116 6.141 3.779 11.664 879 HG SER 116 HG SER 116 5.259 5.276 12.857 880 H GLY 117 H GLY 117 7.451 4.810 14.993 881 HA2 GLY 117 1HA GLY 117 10.132 5.477 15.720 882 HA3 GLY 117 2HA GLY 117 9.286 6.865 15.051 883 HA PRO 118 HA PRO 118 8.211 5.913 19.643 884 HB2 PRO 118 1HB PRO 118 10.086 7.400 20.924 885 HB3 PRO 118 2HB PRO 118 10.313 5.689 20.543 886 HG2 PRO 118 1HG PRO 118 11.333 8.102 19.095 887 HG3 PRO 118 2HG PRO 118 12.175 6.590 19.481 888 HD2 PRO 118 1HD PRO 118 11.139 7.097 17.031 889 HD3 PRO 118 2HD PRO 118 11.219 5.460 17.714 890 H SER 119 H SER 119 9.280 8.771 17.910 891 HA SER 119 HA SER 119 7.604 10.501 19.562 892 HB2 SER 119 1HB SER 119 9.957 11.147 18.825 893 HB3 SER 119 2HB SER 119 9.294 11.339 17.203 894 HG SER 119 HG SER 119 7.660 12.702 18.542 895 H SER 120 H SER 120 5.964 11.825 18.677 896 HA SER 120 HA SER 120 4.840 10.800 16.152 897 HB2 SER 120 1HB SER 120 2.638 11.116 17.022 898 HB3 SER 120 2HB SER 120 3.552 10.273 18.272 899 HG SER 120 HG SER 120 2.963 13.048 18.166 900 H GLY 121 H GLY 121 6.700 12.866 16.117 901 HA2 GLY 121 1HA GLY 121 5.350 14.825 14.620 902 HA3 GLY 121 2HA GLY 121 5.627 15.457 16.236 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -20.115 -26.497 1.104 2 HA2 GLY 1 1HA GLY 1 -18.142 -26.149 -0.035 3 HA3 GLY 1 2HA GLY 1 -18.798 -24.616 -0.592 4 H SER 2 H SER 2 -16.668 -26.164 1.579 5 HA SER 2 HA SER 2 -16.384 -24.114 3.510 6 HB2 SER 2 1HB SER 2 -14.751 -26.480 2.676 7 HB3 SER 2 2HB SER 2 -14.023 -25.271 3.733 8 HG SER 2 HG SER 2 -15.005 -26.827 5.002 9 H SER 3 H SER 3 -14.167 -25.020 0.862 10 HA SER 3 HA SER 3 -12.622 -22.662 1.058 11 HB2 SER 3 1HB SER 3 -12.911 -24.517 -1.318 12 HB3 SER 3 2HB SER 3 -11.597 -23.375 -1.039 13 HG SER 3 HG SER 3 -11.507 -24.709 1.085 14 H GLY 4 H GLY 4 -13.467 -20.703 0.740 15 HA2 GLY 4 1HA GLY 4 -15.581 -20.298 -1.214 16 HA3 GLY 4 2HA GLY 4 -14.954 -19.101 -0.090 17 H SER 5 H SER 5 -13.986 -17.463 -1.061 18 HA SER 5 HA SER 5 -12.982 -17.766 -3.770 19 HB2 SER 5 1HB SER 5 -14.355 -15.759 -2.713 20 HB3 SER 5 2HB SER 5 -12.746 -15.197 -2.262 21 HG SER 5 HG SER 5 -13.473 -14.442 -4.338 22 H SER 6 H SER 6 -10.866 -16.955 -4.390 23 HA SER 6 HA SER 6 -8.869 -17.270 -2.244 24 HB2 SER 6 1HB SER 6 -7.418 -18.427 -3.741 25 HB3 SER 6 2HB SER 6 -9.007 -19.170 -3.929 26 HG SER 6 HG SER 6 -8.546 -18.788 -5.971 27 H GLY 7 H GLY 7 -7.512 -15.620 -1.962 28 HA2 GLY 7 1HA GLY 7 -6.631 -13.968 -4.146 29 HA3 GLY 7 2HA GLY 7 -7.756 -13.144 -3.076 30 HA PRO 8 HA PRO 8 -3.257 -13.583 -1.329 31 HB2 PRO 8 1HB PRO 8 -1.875 -11.671 -2.672 32 HB3 PRO 8 2HB PRO 8 -1.934 -13.359 -3.194 33 HG2 PRO 8 1HG PRO 8 -3.506 -11.013 -4.188 34 HG3 PRO 8 2HG PRO 8 -2.732 -12.314 -5.112 35 HD2 PRO 8 1HD PRO 8 -5.387 -12.285 -4.581 36 HD3 PRO 8 2HD PRO 8 -4.457 -13.791 -4.718 37 H VAL 9 H VAL 9 -4.526 -10.516 -2.648 38 HA VAL 9 HA VAL 9 -4.307 -9.370 0.061 39 HB VAL 9 HB VAL 9 -2.786 -8.095 -1.125 40 HG11 VAL 9 1HG1 VAL 9 -4.626 -7.973 -3.507 41 HG12 VAL 9 2HG1 VAL 9 -2.940 -7.460 -3.419 42 HG13 VAL 9 3HG1 VAL 9 -3.349 -9.173 -3.315 43 HG21 VAL 9 1HG2 VAL 9 -3.634 -6.023 -0.891 44 HG22 VAL 9 2HG2 VAL 9 -4.982 -6.339 -1.983 45 HG23 VAL 9 3HG2 VAL 9 -5.064 -6.873 -0.304 46 H LYS 10 H LYS 10 -6.075 -8.445 0.930 47 HA LYS 10 HA LYS 10 -8.608 -8.862 -0.330 48 HB2 LYS 10 1HB LYS 10 -7.790 -8.674 2.260 49 HB3 LYS 10 2HB LYS 10 -8.504 -7.084 2.022 50 HG2 LYS 10 1HG LYS 10 -9.997 -9.553 1.236 51 HG3 LYS 10 2HG LYS 10 -9.975 -9.003 2.913 52 HD2 LYS 10 1HD LYS 10 -10.596 -6.985 0.832 53 HD3 LYS 10 2HD LYS 10 -11.824 -8.210 1.158 54 HE2 LYS 10 1HE LYS 10 -10.559 -6.853 3.479 55 HE3 LYS 10 2HE LYS 10 -11.705 -5.927 2.510 56 HZ1 LYS 10 1HZ LYS 10 -12.347 -7.625 4.527 57 HZ2 LYS 10 2HZ LYS 10 -12.647 -8.560 3.150 58 HZ3 LYS 10 3HZ LYS 10 -13.413 -7.064 3.340 59 H VAL 11 H VAL 11 -10.076 -7.349 -1.084 60 HA VAL 11 HA VAL 11 -8.906 -4.750 -1.798 61 HB VAL 11 HB VAL 11 -11.308 -6.131 -3.002 62 HG11 VAL 11 1HG1 VAL 11 -11.090 -3.559 -3.053 63 HG12 VAL 11 2HG1 VAL 11 -9.797 -3.849 -4.217 64 HG13 VAL 11 3HG1 VAL 11 -11.434 -4.411 -4.558 65 HG21 VAL 11 1HG2 VAL 11 -9.821 -6.507 -4.945 66 HG22 VAL 11 2HG2 VAL 11 -8.466 -5.907 -3.990 67 HG23 VAL 11 3HG2 VAL 11 -9.304 -7.380 -3.503 68 H LEU 12 H LEU 12 -9.542 -3.038 -0.681 69 HA LEU 12 HA LEU 12 -12.028 -3.161 0.852 70 HB2 LEU 12 1HB LEU 12 -10.023 -0.934 0.943 71 HB3 LEU 12 2HB LEU 12 -11.188 -1.418 2.173 72 HG LEU 12 HG LEU 12 -8.949 -3.255 1.416 73 HD11 LEU 12 1HD1 LEU 12 -8.733 -0.671 2.789 74 HD12 LEU 12 2HD1 LEU 12 -7.495 -1.652 2.005 75 HD13 LEU 12 3HD1 LEU 12 -8.012 -2.034 3.647 76 HD21 LEU 12 1HD2 LEU 12 -9.286 -4.145 3.590 77 HD22 LEU 12 2HD2 LEU 12 -10.882 -3.961 2.862 78 HD23 LEU 12 3HD2 LEU 12 -10.317 -2.793 4.057 79 H VAL 13 H VAL 13 -13.612 -1.537 0.746 80 HA VAL 13 HA VAL 13 -13.483 0.195 -1.634 81 HB VAL 13 HB VAL 13 -15.992 -0.128 -1.804 82 HG11 VAL 13 1HG1 VAL 13 -15.794 -2.172 -3.099 83 HG12 VAL 13 2HG1 VAL 13 -14.383 -1.144 -3.360 84 HG13 VAL 13 3HG1 VAL 13 -14.267 -2.552 -2.303 85 HG21 VAL 13 1HG2 VAL 13 -17.110 -1.577 -0.505 86 HG22 VAL 13 2HG2 VAL 13 -15.814 -2.772 -0.553 87 HG23 VAL 13 3HG2 VAL 13 -15.728 -1.423 0.580 88 H GLY 14 H GLY 14 -15.048 2.028 -1.540 89 HA2 GLY 14 1HA GLY 14 -14.723 3.451 0.898 90 HA3 GLY 14 2HA GLY 14 -15.667 3.977 -0.488 91 H LYS 15 H LYS 15 -16.787 0.990 0.275 92 HA LYS 15 HA LYS 15 -19.053 2.129 1.733 93 HB2 LYS 15 1HB LYS 15 -19.559 0.860 -0.296 94 HB3 LYS 15 2HB LYS 15 -18.730 -0.546 0.359 95 HG2 LYS 15 1HG LYS 15 -20.462 -0.260 2.310 96 HG3 LYS 15 2HG LYS 15 -21.380 0.601 1.072 97 HD2 LYS 15 1HD LYS 15 -20.207 -2.070 0.435 98 HD3 LYS 15 2HD LYS 15 -21.683 -1.981 1.399 99 HE2 LYS 15 1HE LYS 15 -22.828 -0.810 -0.342 100 HE3 LYS 15 2HE LYS 15 -21.340 -0.621 -1.268 101 HZ1 LYS 15 1HZ LYS 15 -23.158 -2.822 -1.189 102 HZ2 LYS 15 2HZ LYS 15 -21.569 -3.316 -0.888 103 HZ3 LYS 15 3HZ LYS 15 -21.938 -2.475 -2.309 104 H ASN 16 H ASN 16 -16.704 -0.513 1.942 105 HA ASN 16 HA ASN 16 -17.296 -0.692 4.820 106 HB2 ASN 16 1HB ASN 16 -16.976 -3.095 4.757 107 HB3 ASN 16 2HB ASN 16 -18.222 -2.648 3.596 108 HD21 ASN 16 1HD2 ASN 16 -14.856 -3.563 3.955 109 HD22 ASN 16 2HD2 ASN 16 -14.655 -4.171 2.351 110 H PHE 17 H PHE 17 -15.246 0.799 3.324 111 HA PHE 17 HA PHE 17 -12.742 -0.430 3.405 112 HB2 PHE 17 1HB PHE 17 -12.662 1.573 2.277 113 HB3 PHE 17 2HB PHE 17 -13.705 2.390 3.437 114 HD1 PHE 17 2HD PHE 17 -10.324 0.817 3.286 115 HD2 PHE 17 1HD PHE 17 -12.753 3.969 4.797 116 HE1 PHE 17 2HE PHE 17 -8.346 1.830 4.342 117 HE2 PHE 17 1HE PHE 17 -10.778 4.988 5.854 118 HZ PHE 17 HZ PHE 17 -8.572 3.918 5.628 119 H GLU 18 H GLU 18 -14.093 1.841 5.806 120 HA GLU 18 HA GLU 18 -12.099 1.428 7.734 121 HB2 GLU 18 1HB GLU 18 -14.959 2.350 8.038 122 HB3 GLU 18 2HB GLU 18 -13.772 2.394 9.334 123 HG2 GLU 18 1HG GLU 18 -12.586 4.107 8.381 124 HG3 GLU 18 2HG GLU 18 -13.131 3.722 6.750 125 H ASP 19 H ASP 19 -15.127 -0.240 7.111 126 HA ASP 19 HA ASP 19 -15.438 -1.694 9.436 127 HB2 ASP 19 1HB ASP 19 -16.161 -2.153 6.583 128 HB3 ASP 19 2HB ASP 19 -16.287 -3.520 7.686 129 H VAL 20 H VAL 20 -13.316 -2.337 6.691 130 HA VAL 20 HA VAL 20 -12.295 -4.752 7.978 131 HB VAL 20 HB VAL 20 -11.773 -3.540 5.265 132 HG11 VAL 20 1HG1 VAL 20 -9.731 -4.590 6.242 133 HG12 VAL 20 2HG1 VAL 20 -10.624 -6.109 6.343 134 HG13 VAL 20 3HG1 VAL 20 -10.313 -5.370 4.771 135 HG21 VAL 20 1HG2 VAL 20 -13.052 -6.153 6.063 136 HG22 VAL 20 2HG2 VAL 20 -13.930 -4.698 5.588 137 HG23 VAL 20 3HG2 VAL 20 -12.887 -5.518 4.426 138 H ALA 21 H ALA 21 -11.004 -1.716 6.627 139 HA ALA 21 HA ALA 21 -8.367 -1.984 7.405 140 HB1 ALA 21 1HB ALA 21 -8.608 -0.161 6.077 141 HB2 ALA 21 2HB ALA 21 -10.139 0.313 6.814 142 HB3 ALA 21 3HB ALA 21 -8.620 0.658 7.640 143 H PHE 22 H PHE 22 -10.794 -0.048 9.170 144 HA PHE 22 HA PHE 22 -9.167 -0.066 11.548 145 HB2 PHE 22 1HB PHE 22 -11.939 1.021 11.019 146 HB3 PHE 22 2HB PHE 22 -11.062 1.231 12.531 147 HD1 PHE 22 2HD PHE 22 -8.727 2.344 12.352 148 HD2 PHE 22 1HD PHE 22 -11.728 2.592 9.344 149 HE1 PHE 22 2HE PHE 22 -7.647 4.360 11.445 150 HE2 PHE 22 1HE PHE 22 -10.652 4.607 8.431 151 HZ PHE 22 HZ PHE 22 -8.609 5.495 9.483 152 H ASP 23 H ASP 23 -9.063 -2.288 12.053 153 HA ASP 23 HA ASP 23 -11.536 -3.336 13.263 154 HB2 ASP 23 1HB ASP 23 -10.767 -4.473 11.085 155 HB3 ASP 23 2HB ASP 23 -9.437 -5.118 12.043 156 H GLU 24 H GLU 24 -11.342 -4.359 15.228 157 HA GLU 24 HA GLU 24 -8.914 -3.779 16.697 158 HB2 GLU 24 1HB GLU 24 -10.148 -4.132 18.644 159 HB3 GLU 24 2HB GLU 24 -11.338 -3.469 17.532 160 HG2 GLU 24 1HG GLU 24 -11.778 -6.008 17.012 161 HG3 GLU 24 2HG GLU 24 -11.079 -6.221 18.616 162 H LYS 25 H LYS 25 -7.651 -5.300 17.795 163 HA LYS 25 HA LYS 25 -6.499 -7.246 18.040 164 HB2 LYS 25 1HB LYS 25 -9.162 -8.538 17.421 165 HB3 LYS 25 2HB LYS 25 -7.783 -9.322 18.178 166 HG2 LYS 25 1HG LYS 25 -9.025 -6.902 19.419 167 HG3 LYS 25 2HG LYS 25 -9.729 -8.504 19.654 168 HD2 LYS 25 1HD LYS 25 -7.754 -9.314 20.691 169 HD3 LYS 25 2HD LYS 25 -6.831 -7.893 20.199 170 HE2 LYS 25 1HE LYS 25 -7.352 -7.678 22.525 171 HE3 LYS 25 2HE LYS 25 -8.326 -6.510 21.633 172 HZ1 LYS 25 1HZ LYS 25 -9.225 -9.107 22.751 173 HZ2 LYS 25 2HZ LYS 25 -10.168 -8.151 21.723 174 HZ3 LYS 25 3HZ LYS 25 -9.707 -7.560 23.240 175 H LYS 26 H LYS 26 -6.710 -5.982 15.403 176 HA LYS 26 HA LYS 26 -5.568 -8.138 13.866 177 HB2 LYS 26 1HB LYS 26 -7.811 -8.558 13.226 178 HB3 LYS 26 2HB LYS 26 -8.170 -6.843 13.071 179 HG2 LYS 26 1HG LYS 26 -7.996 -7.508 10.875 180 HG3 LYS 26 2HG LYS 26 -6.376 -6.890 11.202 181 HD2 LYS 26 1HD LYS 26 -5.988 -8.917 10.111 182 HD3 LYS 26 2HD LYS 26 -5.798 -9.319 11.819 183 HE2 LYS 26 1HE LYS 26 -8.149 -10.109 11.841 184 HE3 LYS 26 2HE LYS 26 -8.232 -9.809 10.106 185 HZ1 LYS 26 1HZ LYS 26 -7.740 -12.152 10.753 186 HZ2 LYS 26 2HZ LYS 26 -6.247 -11.628 11.348 187 HZ3 LYS 26 3HZ LYS 26 -6.606 -11.463 9.703 188 H ASN 27 H ASN 27 -3.827 -7.319 12.923 189 HA ASN 27 HA ASN 27 -3.617 -4.438 12.548 190 HB2 ASN 27 1HB ASN 27 -1.503 -6.559 12.121 191 HB3 ASN 27 2HB ASN 27 -1.247 -4.820 12.233 192 HD21 ASN 27 1HD2 ASN 27 -1.987 -7.730 13.982 193 HD22 ASN 27 2HD2 ASN 27 -1.685 -7.098 15.561 194 H VAL 28 H VAL 28 -4.883 -4.040 10.744 195 HA VAL 28 HA VAL 28 -4.332 -5.485 8.276 196 HB VAL 28 HB VAL 28 -6.288 -3.240 8.788 197 HG11 VAL 28 1HG1 VAL 28 -6.355 -3.147 6.557 198 HG12 VAL 28 2HG1 VAL 28 -5.440 -4.646 6.382 199 HG13 VAL 28 3HG1 VAL 28 -7.185 -4.701 6.639 200 HG21 VAL 28 1HG2 VAL 28 -7.921 -5.240 8.538 201 HG22 VAL 28 2HG2 VAL 28 -6.519 -6.218 8.972 202 HG23 VAL 28 3HG2 VAL 28 -7.107 -4.980 10.081 203 H PHE 29 H PHE 29 -3.219 -4.700 6.577 204 HA PHE 29 HA PHE 29 -2.129 -1.974 6.826 205 HB2 PHE 29 1HB PHE 29 -0.426 -3.751 7.033 206 HB3 PHE 29 2HB PHE 29 -0.887 -4.364 5.448 207 HD1 PHE 29 1HD PHE 29 -0.836 -0.776 6.054 208 HD2 PHE 29 2HD PHE 29 1.396 -4.112 4.638 209 HE1 PHE 29 1HE PHE 29 0.775 0.755 4.998 210 HE2 PHE 29 2HE PHE 29 3.012 -2.587 3.581 211 HZ PHE 29 HZ PHE 29 2.703 -0.150 3.761 212 H VAL 30 H VAL 30 -3.501 -0.791 5.595 213 HA VAL 30 HA VAL 30 -4.425 -1.751 3.027 214 HB VAL 30 HB VAL 30 -4.783 1.002 4.213 215 HG11 VAL 30 1HG1 VAL 30 -6.939 0.696 2.739 216 HG12 VAL 30 2HG1 VAL 30 -5.420 1.237 2.024 217 HG13 VAL 30 3HG1 VAL 30 -5.916 -0.449 1.873 218 HG21 VAL 30 1HG2 VAL 30 -6.296 -1.548 4.642 219 HG22 VAL 30 2HG2 VAL 30 -5.743 -0.367 5.831 220 HG23 VAL 30 3HG2 VAL 30 -7.103 0.015 4.774 221 H GLU 31 H GLU 31 -4.144 -0.500 1.048 222 HA GLU 31 HA GLU 31 -1.729 1.154 0.964 223 HB2 GLU 31 1HB GLU 31 -0.739 -0.845 0.318 224 HB3 GLU 31 2HB GLU 31 -2.187 -1.416 -0.500 225 HG2 GLU 31 1HG GLU 31 -1.812 0.303 -2.248 226 HG3 GLU 31 2HG GLU 31 -0.291 0.713 -1.459 227 H PHE 32 H PHE 32 -2.589 3.029 0.309 228 HA PHE 32 HA PHE 32 -4.763 3.131 -1.581 229 HB2 PHE 32 1HB PHE 32 -3.106 5.336 -0.337 230 HB3 PHE 32 2HB PHE 32 -4.535 5.591 -1.333 231 HD1 PHE 32 1HD PHE 32 -6.754 4.975 -0.501 232 HD2 PHE 32 2HD PHE 32 -3.282 4.631 1.936 233 HE1 PHE 32 1HE PHE 32 -8.179 4.806 1.498 234 HE2 PHE 32 2HE PHE 32 -4.701 4.460 3.939 235 HZ PHE 32 HZ PHE 32 -7.152 4.546 3.721 236 H TYR 33 H TYR 33 -4.229 2.547 -3.607 237 HA TYR 33 HA TYR 33 -1.837 3.762 -4.816 238 HB2 TYR 33 1HB TYR 33 -1.854 1.957 -6.421 239 HB3 TYR 33 2HB TYR 33 -1.946 1.273 -4.802 240 HD1 TYR 33 2HD TYR 33 -4.048 2.202 -7.728 241 HD2 TYR 33 1HD TYR 33 -3.664 -0.211 -4.244 242 HE1 TYR 33 2HE TYR 33 -6.066 0.954 -8.377 243 HE2 TYR 33 1HE TYR 33 -5.681 -1.466 -4.884 244 HH TYR 33 HH TYR 33 -7.398 -0.763 -7.910 245 H ALA 34 H ALA 34 -2.119 4.044 -7.285 246 HA ALA 34 HA ALA 34 -4.774 5.187 -7.853 247 HB1 ALA 34 1HB ALA 34 -2.836 6.834 -7.295 248 HB2 ALA 34 2HB ALA 34 -2.308 6.475 -8.940 249 HB3 ALA 34 3HB ALA 34 -3.906 7.166 -8.657 250 HA PRO 35 HA PRO 35 -4.565 2.667 -11.473 251 HB2 PRO 35 1HB PRO 35 -6.578 3.844 -12.864 252 HB3 PRO 35 2HB PRO 35 -6.861 2.775 -11.484 253 HG2 PRO 35 1HG PRO 35 -6.849 5.767 -11.592 254 HG3 PRO 35 2HG PRO 35 -7.975 4.681 -10.755 255 HD2 PRO 35 1HD PRO 35 -5.961 5.961 -9.474 256 HD3 PRO 35 2HD PRO 35 -6.540 4.357 -8.980 257 H TRP 36 H TRP 36 -3.667 5.882 -11.294 258 HA TRP 36 HA TRP 36 -2.799 5.879 -14.110 259 HB2 TRP 36 1HB TRP 36 -2.748 8.501 -13.569 260 HB3 TRP 36 2HB TRP 36 -4.184 7.691 -14.191 261 HD1 TRP 36 HD TRP 36 -6.275 7.501 -12.593 262 HE1 TRP 36 1HE TRP 36 -6.855 8.568 -10.324 263 HE3 TRP 36 3HE TRP 36 -1.651 9.274 -11.326 264 HZ2 TRP 36 2HZ TRP 36 -5.527 9.976 -8.269 265 HZ3 TRP 36 3HZ TRP 36 -1.391 10.471 -9.191 266 HH2 TRP 36 HH TRP 36 -3.290 10.813 -7.696 267 H CYS 37 H CYS 37 -1.948 6.273 -10.789 268 HA CYS 37 HA CYS 37 0.485 7.637 -11.032 269 HB2 CYS 37 1HB CYS 37 -0.497 7.347 -8.862 270 HB3 CYS 37 2HB CYS 37 -0.452 5.595 -9.014 271 HG CYS 37 HG CYS 37 2.593 6.793 -9.342 272 H GLY 38 H GLY 38 2.327 7.085 -11.984 273 HA2 GLY 38 1HA GLY 38 2.735 4.632 -13.280 274 HA3 GLY 38 2HA GLY 38 3.981 5.827 -12.955 275 H HIS 39 H HIS 39 3.990 5.816 -10.179 276 HA HIS 39 HA HIS 39 5.678 3.658 -9.618 277 HB2 HIS 39 1HB HIS 39 4.354 5.784 -8.013 278 HB3 HIS 39 2HB HIS 39 4.987 4.393 -7.138 279 HD1 HIS 39 1HD HIS 39 6.222 7.163 -6.720 280 HD2 HIS 39 2HD HIS 39 7.619 4.397 -9.488 281 HE1 HIS 39 1HE HIS 39 8.622 7.784 -7.139 282 HE2 HIS 39 2HE HIS 39 9.422 6.150 -8.880 283 H CYS 40 H CYS 40 2.223 4.049 -9.227 284 HA CYS 40 HA CYS 40 1.735 1.892 -7.498 285 HB2 CYS 40 1HB CYS 40 -0.101 3.279 -7.714 286 HB3 CYS 40 2HB CYS 40 0.093 3.440 -9.455 287 HG CYS 40 HG CYS 40 -2.331 2.099 -8.735 288 H LYS 41 H LYS 41 1.592 2.059 -11.051 289 HA LYS 41 HA LYS 41 0.839 -0.494 -11.663 290 HB2 LYS 41 1HB LYS 41 2.766 1.377 -13.010 291 HB3 LYS 41 2HB LYS 41 2.443 -0.216 -13.681 292 HG2 LYS 41 1HG LYS 41 0.194 0.292 -14.098 293 HG3 LYS 41 2HG LYS 41 0.233 1.712 -13.050 294 HD2 LYS 41 1HD LYS 41 1.800 2.790 -14.625 295 HD3 LYS 41 2HD LYS 41 1.668 1.386 -15.686 296 HE2 LYS 41 1HE LYS 41 -0.626 1.814 -16.109 297 HE3 LYS 41 2HE LYS 41 -0.712 3.008 -14.815 298 HZ1 LYS 41 1HZ LYS 41 0.169 4.602 -16.108 299 HZ2 LYS 41 2HZ LYS 41 -0.387 3.634 -17.379 300 HZ3 LYS 41 3HZ LYS 41 1.233 3.550 -16.899 301 H GLN 42 H GLN 42 3.806 0.529 -10.229 302 HA GLN 42 HA GLN 42 5.117 -2.021 -10.754 303 HB2 GLN 42 1HB GLN 42 6.065 0.472 -9.334 304 HB3 GLN 42 2HB GLN 42 7.037 -0.980 -9.538 305 HG2 GLN 42 1HG GLN 42 6.484 -0.623 -12.071 306 HG3 GLN 42 2HG GLN 42 6.195 1.037 -11.554 307 HE21 GLN 42 1HE2 GLN 42 7.934 1.873 -12.657 308 HE22 GLN 42 2HE2 GLN 42 9.571 1.576 -12.192 309 H LEU 43 H LEU 43 3.413 -0.356 -8.242 310 HA LEU 43 HA LEU 43 4.333 -2.093 -6.128 311 HB2 LEU 43 1HB LEU 43 3.562 0.359 -5.944 312 HB3 LEU 43 2HB LEU 43 1.931 -0.307 -5.980 313 HG LEU 43 HG LEU 43 2.526 -1.660 -3.961 314 HD11 LEU 43 1HD1 LEU 43 4.619 -0.130 -2.916 315 HD12 LEU 43 2HD1 LEU 43 5.122 -0.574 -4.547 316 HD13 LEU 43 3HD1 LEU 43 4.663 -1.827 -3.394 317 HD21 LEU 43 1HD2 LEU 43 2.372 0.240 -2.404 318 HD22 LEU 43 2HD2 LEU 43 1.245 0.386 -3.753 319 HD23 LEU 43 3HD2 LEU 43 2.728 1.341 -3.735 320 H ALA 44 H ALA 44 1.914 -2.172 -8.529 321 HA ALA 44 HA ALA 44 -0.181 -3.541 -7.377 322 HB1 ALA 44 1HB ALA 44 0.303 -4.694 -9.933 323 HB2 ALA 44 2HB ALA 44 -0.898 -3.486 -9.474 324 HB3 ALA 44 3HB ALA 44 0.706 -2.979 -10.003 325 HA PRO 45 HA PRO 45 2.125 -7.711 -8.245 326 HB2 PRO 45 1HB PRO 45 4.785 -7.552 -8.764 327 HB3 PRO 45 2HB PRO 45 3.554 -7.497 -10.031 328 HG2 PRO 45 1HG PRO 45 5.043 -5.245 -8.739 329 HG3 PRO 45 2HG PRO 45 4.658 -5.494 -10.452 330 HD2 PRO 45 1HD PRO 45 3.240 -3.816 -8.869 331 HD3 PRO 45 2HD PRO 45 2.502 -4.716 -10.210 332 H ILE 46 H ILE 46 4.429 -5.333 -6.910 333 HA ILE 46 HA ILE 46 5.545 -6.961 -4.947 334 HB ILE 46 HB ILE 46 5.101 -3.979 -4.764 335 HG12 ILE 46 1HG1 ILE 46 7.690 -5.175 -5.627 336 HG13 ILE 46 2HG1 ILE 46 6.377 -5.140 -6.799 337 HG21 ILE 46 1HG2 ILE 46 6.382 -3.951 -2.928 338 HG22 ILE 46 2HG2 ILE 46 5.999 -5.668 -2.816 339 HG23 ILE 46 3HG2 ILE 46 7.503 -5.148 -3.576 340 HD11 ILE 46 1HD1 ILE 46 6.320 -2.598 -5.845 341 HD12 ILE 46 2HD1 ILE 46 8.042 -2.973 -5.772 342 HD13 ILE 46 3HD1 ILE 46 7.172 -3.118 -7.299 343 H TRP 47 H TRP 47 2.653 -4.934 -4.847 344 HA TRP 47 HA TRP 47 2.138 -5.346 -2.075 345 HB2 TRP 47 1HB TRP 47 1.261 -3.447 -3.528 346 HB3 TRP 47 2HB TRP 47 0.094 -4.601 -4.166 347 HD1 TRP 47 HD TRP 47 -2.148 -4.604 -2.945 348 HE1 TRP 47 1HE TRP 47 -2.986 -3.898 -0.616 349 HE3 TRP 47 3HE TRP 47 2.317 -3.262 -0.847 350 HZ2 TRP 47 2HZ TRP 47 -1.899 -2.904 1.792 351 HZ3 TRP 47 3HZ TRP 47 2.331 -2.443 1.473 352 HH2 TRP 47 HH TRP 47 0.266 -2.268 2.763 353 H ASP 48 H ASP 48 1.129 -6.948 -5.040 354 HA ASP 48 HA ASP 48 -0.814 -8.628 -3.796 355 HB2 ASP 48 1HB ASP 48 -1.248 -8.490 -6.044 356 HB3 ASP 48 2HB ASP 48 0.458 -8.441 -6.480 357 H LYS 49 H LYS 49 2.620 -8.813 -4.335 358 HA LYS 49 HA LYS 49 2.846 -11.624 -3.825 359 HB2 LYS 49 1HB LYS 49 4.827 -9.367 -4.015 360 HB3 LYS 49 2HB LYS 49 5.323 -10.982 -3.528 361 HG2 LYS 49 1HG LYS 49 4.983 -11.867 -5.607 362 HG3 LYS 49 2HG LYS 49 3.746 -10.680 -6.030 363 HD2 LYS 49 1HD LYS 49 5.691 -10.213 -7.340 364 HD3 LYS 49 2HD LYS 49 5.550 -8.950 -6.115 365 HE2 LYS 49 1HE LYS 49 7.831 -9.562 -6.163 366 HE3 LYS 49 2HE LYS 49 7.157 -10.308 -4.715 367 HZ1 LYS 49 1HZ LYS 49 7.934 -11.591 -7.257 368 HZ2 LYS 49 2HZ LYS 49 6.839 -12.341 -6.209 369 HZ3 LYS 49 3HZ LYS 49 8.407 -11.987 -5.681 370 H LEU 50 H LEU 50 2.915 -8.711 -1.903 371 HA LEU 50 HA LEU 50 3.930 -10.045 0.450 372 HB2 LEU 50 1HB LEU 50 4.589 -7.872 0.535 373 HB3 LEU 50 2HB LEU 50 3.147 -7.290 -0.295 374 HG LEU 50 HG LEU 50 1.907 -7.747 1.887 375 HD11 LEU 50 1HD1 LEU 50 4.600 -8.548 2.617 376 HD12 LEU 50 2HD1 LEU 50 3.068 -8.844 3.438 377 HD13 LEU 50 3HD1 LEU 50 3.935 -7.332 3.708 378 HD21 LEU 50 1HD2 LEU 50 2.698 -5.510 0.961 379 HD22 LEU 50 2HD2 LEU 50 4.034 -5.636 2.106 380 HD23 LEU 50 3HD2 LEU 50 2.371 -5.590 2.692 381 H GLY 51 H GLY 51 0.823 -9.023 -0.833 382 HA2 GLY 51 1HA GLY 51 -0.715 -9.342 1.502 383 HA3 GLY 51 2HA GLY 51 -1.326 -9.438 -0.143 384 H GLU 52 H GLU 52 0.233 -11.659 -0.993 385 HA GLU 52 HA GLU 52 -1.414 -13.773 -0.077 386 HB2 GLU 52 1HB GLU 52 -0.394 -15.081 -1.685 387 HB3 GLU 52 2HB GLU 52 -0.135 -13.468 -2.336 388 HG2 GLU 52 1HG GLU 52 2.125 -13.445 -1.588 389 HG3 GLU 52 2HG GLU 52 1.895 -14.935 -0.675 390 H THR 53 H THR 53 1.608 -12.503 0.988 391 HA THR 53 HA THR 53 2.544 -14.839 2.335 392 HB THR 53 HB THR 53 3.278 -11.930 2.715 393 HG1 THR 53 1HG THR 53 3.769 -13.383 0.701 394 HG21 THR 53 1HG2 THR 53 3.717 -13.460 4.694 395 HG22 THR 53 2HG2 THR 53 5.122 -12.626 4.029 396 HG23 THR 53 3HG2 THR 53 4.844 -14.326 3.651 397 H TYR 54 H TYR 54 0.465 -12.159 3.184 398 HA TYR 54 HA TYR 54 0.101 -13.352 5.855 399 HB2 TYR 54 1HB TYR 54 -0.187 -10.436 5.105 400 HB3 TYR 54 2HB TYR 54 -0.419 -11.121 6.710 401 HD1 TYR 54 2HD TYR 54 2.110 -10.475 4.081 402 HD2 TYR 54 1HD TYR 54 1.416 -11.477 8.158 403 HE1 TYR 54 2HE TYR 54 4.496 -10.128 4.566 404 HE2 TYR 54 1HE TYR 54 3.800 -11.132 8.654 405 HH TYR 54 HH TYR 54 5.745 -10.306 7.861 406 H LYS 55 H LYS 55 -1.305 -13.958 3.361 407 HA LYS 55 HA LYS 55 -3.894 -12.729 3.500 408 HB2 LYS 55 1HB LYS 55 -4.458 -14.025 1.645 409 HB3 LYS 55 2HB LYS 55 -2.728 -13.780 1.446 410 HG2 LYS 55 1HG LYS 55 -2.586 -16.053 2.757 411 HG3 LYS 55 2HG LYS 55 -4.229 -16.248 2.144 412 HD2 LYS 55 1HD LYS 55 -1.781 -15.682 0.470 413 HD3 LYS 55 2HD LYS 55 -2.570 -17.252 0.640 414 HE2 LYS 55 1HE LYS 55 -4.230 -14.942 -0.217 415 HE3 LYS 55 2HE LYS 55 -3.095 -15.618 -1.384 416 HZ1 LYS 55 1HZ LYS 55 -5.052 -16.797 -1.730 417 HZ2 LYS 55 2HZ LYS 55 -5.393 -16.937 -0.079 418 HZ3 LYS 55 3HZ LYS 55 -4.139 -17.843 -0.764 419 H ASP 56 H ASP 56 -2.390 -15.593 4.804 420 HA ASP 56 HA ASP 56 -4.964 -16.366 6.013 421 HB2 ASP 56 1HB ASP 56 -4.271 -18.619 6.031 422 HB3 ASP 56 2HB ASP 56 -3.767 -18.014 4.456 423 H HIS 57 H HIS 57 -2.884 -14.385 6.912 424 HA HIS 57 HA HIS 57 -1.533 -15.464 9.159 425 HB2 HIS 57 1HB HIS 57 -1.346 -13.130 7.807 426 HB3 HIS 57 2HB HIS 57 -2.261 -12.595 9.213 427 HD1 HIS 57 1HD HIS 57 -1.048 -12.571 11.479 428 HD2 HIS 57 2HD HIS 57 1.302 -13.921 8.330 429 HE1 HIS 57 1HE HIS 57 1.305 -12.615 12.366 430 HE2 HIS 57 2HE HIS 57 2.719 -13.354 10.417 431 H GLU 58 H GLU 58 -2.009 -14.071 11.348 432 HA GLU 58 HA GLU 58 -4.744 -14.849 12.071 433 HB2 GLU 58 1HB GLU 58 -4.006 -15.115 14.291 434 HB3 GLU 58 2HB GLU 58 -2.710 -15.776 13.304 435 HG2 GLU 58 1HG GLU 58 -1.515 -13.609 13.531 436 HG3 GLU 58 2HG GLU 58 -2.770 -13.090 14.655 437 H ASN 59 H ASN 59 -2.402 -12.221 12.589 438 HA ASN 59 HA ASN 59 -4.677 -10.421 13.109 439 HB2 ASN 59 1HB ASN 59 -3.233 -9.082 14.505 440 HB3 ASN 59 2HB ASN 59 -3.130 -10.756 15.043 441 HD21 ASN 59 1HD2 ASN 59 -1.225 -11.847 14.870 442 HD22 ASN 59 2HD2 ASN 59 0.258 -11.103 14.388 443 H ILE 60 H ILE 60 -1.759 -10.969 11.299 444 HA ILE 60 HA ILE 60 -1.701 -8.324 10.145 445 HB ILE 60 HB ILE 60 -0.195 -10.789 9.264 446 HG12 ILE 60 1HG1 ILE 60 0.594 -8.599 11.198 447 HG13 ILE 60 2HG1 ILE 60 0.300 -10.288 11.599 448 HG21 ILE 60 1HG2 ILE 60 -0.107 -7.910 8.518 449 HG22 ILE 60 2HG2 ILE 60 1.400 -8.825 8.538 450 HG23 ILE 60 3HG2 ILE 60 0.066 -9.345 7.508 451 HD11 ILE 60 1HD1 ILE 60 2.618 -9.043 10.213 452 HD12 ILE 60 2HD1 ILE 60 2.584 -10.229 11.518 453 HD13 ILE 60 3HD1 ILE 60 2.203 -10.722 9.869 454 H VAL 61 H VAL 61 -3.213 -7.752 8.729 455 HA VAL 61 HA VAL 61 -3.946 -9.676 6.620 456 HB VAL 61 HB VAL 61 -5.710 -7.902 8.262 457 HG11 VAL 61 1HG1 VAL 61 -6.438 -7.073 6.250 458 HG12 VAL 61 2HG1 VAL 61 -6.028 -8.545 5.369 459 HG13 VAL 61 3HG1 VAL 61 -7.459 -8.503 6.399 460 HG21 VAL 61 1HG2 VAL 61 -6.257 -10.637 7.141 461 HG22 VAL 61 2HG2 VAL 61 -5.372 -10.393 8.647 462 HG23 VAL 61 3HG2 VAL 61 -7.038 -9.833 8.502 463 H ILE 62 H ILE 62 -3.259 -8.991 4.712 464 HA ILE 62 HA ILE 62 -2.670 -6.181 4.279 465 HB ILE 62 HB ILE 62 -2.271 -8.564 2.467 466 HG12 ILE 62 1HG1 ILE 62 -0.893 -8.546 4.544 467 HG13 ILE 62 2HG1 ILE 62 0.066 -8.412 3.074 468 HG21 ILE 62 1HG2 ILE 62 -1.501 -7.213 0.846 469 HG22 ILE 62 2HG2 ILE 62 -2.473 -5.986 1.658 470 HG23 ILE 62 3HG2 ILE 62 -0.745 -6.103 1.989 471 HD11 ILE 62 1HD1 ILE 62 0.187 -6.775 5.305 472 HD12 ILE 62 2HD1 ILE 62 0.932 -6.484 3.733 473 HD13 ILE 62 3HD1 ILE 62 -0.659 -5.814 4.092 474 H ALA 63 H ALA 63 -3.766 -4.817 2.968 475 HA ALA 63 HA ALA 63 -5.850 -5.846 1.209 476 HB1 ALA 63 1HB ALA 63 -7.270 -3.842 2.300 477 HB2 ALA 63 2HB ALA 63 -7.379 -5.518 2.837 478 HB3 ALA 63 3HB ALA 63 -6.362 -4.376 3.714 479 H LYS 64 H LYS 64 -6.614 -4.281 -0.327 480 HA LYS 64 HA LYS 64 -4.914 -1.891 -0.572 481 HB2 LYS 64 1HB LYS 64 -4.661 -2.254 -2.939 482 HB3 LYS 64 2HB LYS 64 -4.139 -3.705 -2.093 483 HG2 LYS 64 1HG LYS 64 -6.212 -4.816 -2.630 484 HG3 LYS 64 2HG LYS 64 -6.840 -3.344 -3.375 485 HD2 LYS 64 1HD LYS 64 -5.009 -3.441 -5.031 486 HD3 LYS 64 2HD LYS 64 -4.465 -4.957 -4.309 487 HE2 LYS 64 1HE LYS 64 -6.651 -5.961 -4.831 488 HE3 LYS 64 2HE LYS 64 -7.149 -4.452 -5.594 489 HZ1 LYS 64 1HZ LYS 64 -5.947 -4.883 -7.421 490 HZ2 LYS 64 2HZ LYS 64 -6.023 -6.491 -6.901 491 HZ3 LYS 64 3HZ LYS 64 -4.654 -5.557 -6.563 492 H MET 65 H MET 65 -5.870 -0.077 -1.483 493 HA MET 65 HA MET 65 -8.679 -0.264 -2.276 494 HB2 MET 65 1HB MET 65 -8.453 0.305 0.201 495 HB3 MET 65 2HB MET 65 -7.758 1.835 -0.318 496 HG2 MET 65 1HG MET 65 -9.769 2.491 -1.381 497 HG3 MET 65 2HG MET 65 -10.460 0.879 -1.212 498 HE1 MET 65 1HE MET 65 -11.842 3.863 -0.113 499 HE2 MET 65 2HE MET 65 -11.151 4.319 1.444 500 HE3 MET 65 3HE MET 65 -10.134 4.289 0.002 501 H ASP 66 H ASP 66 -9.420 1.499 -3.547 502 HA ASP 66 HA ASP 66 -7.236 2.907 -4.906 503 HB2 ASP 66 1HB ASP 66 -8.740 1.532 -6.299 504 HB3 ASP 66 2HB ASP 66 -10.108 2.506 -5.769 505 H SER 67 H SER 67 -6.832 4.775 -3.870 506 HA SER 67 HA SER 67 -8.774 6.332 -2.530 507 HB2 SER 67 1HB SER 67 -6.193 6.319 -2.258 508 HB3 SER 67 2HB SER 67 -6.201 7.474 -3.590 509 HG SER 67 HG SER 67 -7.535 7.744 -1.099 510 H THR 68 H THR 68 -7.780 6.147 -5.828 511 HA THR 68 HA THR 68 -8.864 8.729 -6.556 512 HB THR 68 HB THR 68 -8.029 8.383 -8.683 513 HG1 THR 68 1HG THR 68 -8.570 5.660 -8.175 514 HG21 THR 68 1HG2 THR 68 -6.281 8.094 -6.796 515 HG22 THR 68 2HG2 THR 68 -5.822 7.671 -8.446 516 HG23 THR 68 3HG2 THR 68 -6.253 6.404 -7.298 517 H ALA 69 H ALA 69 -10.118 5.667 -5.975 518 HA ALA 69 HA ALA 69 -12.516 6.276 -7.580 519 HB1 ALA 69 1HB ALA 69 -12.889 3.746 -7.490 520 HB2 ALA 69 2HB ALA 69 -11.633 4.352 -8.570 521 HB3 ALA 69 3HB ALA 69 -11.193 3.643 -7.016 522 H ASN 70 H ASN 70 -11.227 5.815 -4.490 523 HA ASN 70 HA ASN 70 -13.919 5.832 -3.341 524 HB2 ASN 70 1HB ASN 70 -11.705 3.991 -2.406 525 HB3 ASN 70 2HB ASN 70 -13.273 4.186 -1.629 526 HD21 ASN 70 1HD2 ASN 70 -11.502 2.501 -3.930 527 HD22 ASN 70 2HD2 ASN 70 -12.804 1.649 -4.679 528 H GLU 71 H GLU 71 -14.064 7.587 -2.123 529 HA GLU 71 HA GLU 71 -11.637 8.599 -0.803 530 HB2 GLU 71 1HB GLU 71 -12.515 10.769 -0.932 531 HB3 GLU 71 2HB GLU 71 -12.936 10.044 -2.477 532 HG2 GLU 71 1HG GLU 71 -15.164 9.446 -1.241 533 HG3 GLU 71 2HG GLU 71 -14.685 10.772 -0.183 534 H VAL 72 H VAL 72 -11.601 8.991 1.369 535 HA VAL 72 HA VAL 72 -14.042 8.612 2.927 536 HB VAL 72 HB VAL 72 -12.826 7.098 4.515 537 HG11 VAL 72 1HG1 VAL 72 -13.233 5.088 3.234 538 HG12 VAL 72 2HG1 VAL 72 -14.483 6.282 2.875 539 HG13 VAL 72 3HG1 VAL 72 -13.174 6.001 1.727 540 HG21 VAL 72 1HG2 VAL 72 -10.695 7.584 2.610 541 HG22 VAL 72 2HG2 VAL 72 -10.621 6.911 4.239 542 HG23 VAL 72 3HG2 VAL 72 -10.976 5.862 2.866 543 H GLU 73 H GLU 73 -14.079 9.735 4.833 544 HA GLU 73 HA GLU 73 -12.195 11.854 5.131 545 HB2 GLU 73 1HB GLU 73 -13.540 12.556 7.009 546 HB3 GLU 73 2HB GLU 73 -14.601 12.070 5.694 547 HG2 GLU 73 1HG GLU 73 -14.873 9.866 6.808 548 HG3 GLU 73 2HG GLU 73 -13.943 10.493 8.168 549 H ALA 74 H ALA 74 -12.601 8.710 6.563 550 HA ALA 74 HA ALA 74 -11.056 9.068 8.888 551 HB1 ALA 74 1HB ALA 74 -12.563 7.054 7.949 552 HB2 ALA 74 2HB ALA 74 -10.956 6.423 7.585 553 HB3 ALA 74 3HB ALA 74 -11.378 6.861 9.241 554 H VAL 75 H VAL 75 -10.163 8.989 5.611 555 HA VAL 75 HA VAL 75 -7.365 9.185 6.310 556 HB VAL 75 HB VAL 75 -8.430 6.871 4.715 557 HG11 VAL 75 1HG1 VAL 75 -6.833 7.592 3.208 558 HG12 VAL 75 2HG1 VAL 75 -5.786 8.245 4.470 559 HG13 VAL 75 3HG1 VAL 75 -5.901 6.501 4.234 560 HG21 VAL 75 1HG2 VAL 75 -6.803 7.257 7.172 561 HG22 VAL 75 2HG2 VAL 75 -8.089 6.097 6.838 562 HG23 VAL 75 3HG2 VAL 75 -6.477 5.842 6.172 563 H LYS 76 H LYS 76 -6.891 11.026 5.302 564 HA LYS 76 HA LYS 76 -8.000 11.535 2.637 565 HB2 LYS 76 1HB LYS 76 -6.787 13.312 4.740 566 HB3 LYS 76 2HB LYS 76 -6.995 13.865 3.083 567 HG2 LYS 76 1HG LYS 76 -9.252 12.800 4.758 568 HG3 LYS 76 2HG LYS 76 -8.815 14.509 4.684 569 HD2 LYS 76 1HD LYS 76 -9.359 14.652 2.394 570 HD3 LYS 76 2HD LYS 76 -9.410 12.897 2.216 571 HE2 LYS 76 1HE LYS 76 -11.415 12.759 3.513 572 HE3 LYS 76 2HE LYS 76 -11.310 14.463 3.953 573 HZ1 LYS 76 1HZ LYS 76 -11.951 15.132 1.858 574 HZ2 LYS 76 2HZ LYS 76 -12.894 13.745 2.072 575 HZ3 LYS 76 3HZ LYS 76 -11.497 13.679 1.120 576 H VAL 77 H VAL 77 -6.745 10.651 1.106 577 HA VAL 77 HA VAL 77 -3.830 10.864 1.351 578 HB VAL 77 HB VAL 77 -5.288 9.329 -0.785 579 HG11 VAL 77 1HG1 VAL 77 -2.563 8.994 0.465 580 HG12 VAL 77 2HG1 VAL 77 -3.231 8.022 -0.847 581 HG13 VAL 77 3HG1 VAL 77 -2.893 9.735 -1.100 582 HG21 VAL 77 1HG2 VAL 77 -4.780 8.570 2.064 583 HG22 VAL 77 2HG2 VAL 77 -6.226 8.326 1.083 584 HG23 VAL 77 3HG2 VAL 77 -4.792 7.339 0.802 585 H HIS 78 H HIS 78 -2.735 12.318 0.214 586 HA HIS 78 HA HIS 78 -4.077 13.605 -2.071 587 HB2 HIS 78 1HB HIS 78 -1.838 14.808 -0.447 588 HB3 HIS 78 2HB HIS 78 -2.913 15.623 -1.579 589 HD1 HIS 78 1HD HIS 78 -2.367 15.716 1.789 590 HD2 HIS 78 2HD HIS 78 -5.801 14.934 -0.416 591 HE1 HIS 78 1HE HIS 78 -4.287 16.198 3.341 592 HE2 HIS 78 2HE HIS 78 -6.352 15.636 2.012 593 H SER 79 H SER 79 -1.624 11.512 -1.235 594 HA SER 79 HA SER 79 -0.293 11.955 -3.816 595 HB2 SER 79 1HB SER 79 1.889 11.556 -2.838 596 HB3 SER 79 2HB SER 79 1.112 12.882 -1.973 597 HG SER 79 HG SER 79 1.619 10.255 -1.133 598 H PHE 80 H PHE 80 1.009 10.021 -4.489 599 HA PHE 80 HA PHE 80 0.361 7.483 -3.315 600 HB2 PHE 80 1HB PHE 80 -0.641 7.863 -6.124 601 HB3 PHE 80 2HB PHE 80 -1.026 6.582 -4.979 602 HD1 PHE 80 1HD PHE 80 -2.586 7.002 -3.128 603 HD2 PHE 80 2HD PHE 80 -1.833 9.922 -6.132 604 HE1 PHE 80 1HE PHE 80 -4.618 8.215 -2.454 605 HE2 PHE 80 2HE PHE 80 -3.863 11.139 -5.462 606 HZ PHE 80 HZ PHE 80 -5.259 10.287 -3.621 607 HA PRO 81 HA PRO 81 0.307 5.314 -4.221 608 HB2 PRO 81 1HB PRO 81 2.069 3.453 -3.327 609 HB3 PRO 81 2HB PRO 81 1.497 3.510 -4.999 610 HG2 PRO 81 1HG PRO 81 4.060 4.534 -3.839 611 HG3 PRO 81 2HG PRO 81 3.792 3.648 -5.351 612 HD2 PRO 81 1HD PRO 81 4.134 6.333 -5.276 613 HD3 PRO 81 2HD PRO 81 3.102 5.535 -6.481 614 H THR 82 H THR 82 -0.389 5.083 -2.134 615 HA THR 82 HA THR 82 1.366 6.150 -0.018 616 HB THR 82 HB THR 82 -1.574 6.626 -0.468 617 HG1 THR 82 1HG THR 82 -0.556 8.828 0.170 618 HG21 THR 82 1HG2 THR 82 -1.234 5.922 1.877 619 HG22 THR 82 2HG2 THR 82 -1.712 7.615 1.744 620 HG23 THR 82 3HG2 THR 82 -0.029 7.196 2.063 621 H LEU 83 H LEU 83 1.558 4.974 1.806 622 HA LEU 83 HA LEU 83 -0.176 2.607 2.087 623 HB2 LEU 83 1HB LEU 83 2.699 2.797 2.960 624 HB3 LEU 83 2HB LEU 83 1.674 1.363 2.950 625 HG LEU 83 HG LEU 83 2.700 2.819 0.514 626 HD11 LEU 83 1HD1 LEU 83 3.629 0.440 2.040 627 HD12 LEU 83 2HD1 LEU 83 4.561 1.706 1.241 628 HD13 LEU 83 3HD1 LEU 83 3.791 0.440 0.284 629 HD21 LEU 83 1HD2 LEU 83 0.721 1.907 -0.227 630 HD22 LEU 83 2HD2 LEU 83 0.796 0.553 0.902 631 HD23 LEU 83 3HD2 LEU 83 1.844 0.578 -0.517 632 H LYS 84 H LYS 84 -1.122 2.280 4.017 633 HA LYS 84 HA LYS 84 -0.205 3.852 6.321 634 HB2 LYS 84 1HB LYS 84 -3.090 3.576 5.459 635 HB3 LYS 84 2HB LYS 84 -2.523 4.394 6.909 636 HG2 LYS 84 1HG LYS 84 -1.151 5.839 5.244 637 HG3 LYS 84 2HG LYS 84 -2.309 5.238 4.054 638 HD2 LYS 84 1HD LYS 84 -4.052 6.388 4.970 639 HD3 LYS 84 2HD LYS 84 -3.392 6.302 6.605 640 HE2 LYS 84 1HE LYS 84 -2.183 7.998 4.432 641 HE3 LYS 84 2HE LYS 84 -3.427 8.593 5.531 642 HZ1 LYS 84 1HZ LYS 84 -0.635 7.893 6.090 643 HZ2 LYS 84 2HZ LYS 84 -1.777 7.692 7.321 644 HZ3 LYS 84 3HZ LYS 84 -1.541 9.217 6.628 645 H PHE 85 H PHE 85 0.054 2.642 8.078 646 HA PHE 85 HA PHE 85 -0.978 -0.086 8.070 647 HB2 PHE 85 1HB PHE 85 1.368 0.126 8.579 648 HB3 PHE 85 2HB PHE 85 1.037 1.314 9.836 649 HD1 PHE 85 2HD PHE 85 0.710 -2.241 8.916 650 HD2 PHE 85 1HD PHE 85 0.447 0.653 12.026 651 HE1 PHE 85 2HE PHE 85 0.580 -4.048 10.581 652 HE2 PHE 85 1HE PHE 85 0.318 -1.149 13.697 653 HZ PHE 85 HZ PHE 85 0.384 -3.503 12.975 654 H PHE 86 H PHE 86 -2.609 -0.764 9.309 655 HA PHE 86 HA PHE 86 -3.676 1.108 11.316 656 HB2 PHE 86 1HB PHE 86 -5.159 -1.059 9.814 657 HB3 PHE 86 2HB PHE 86 -5.864 0.105 10.931 658 HD1 PHE 86 1HD PHE 86 -3.817 2.277 9.685 659 HD2 PHE 86 2HD PHE 86 -6.874 -0.276 8.184 660 HE1 PHE 86 1HE PHE 86 -4.197 3.835 7.820 661 HE2 PHE 86 2HE PHE 86 -7.258 1.278 6.315 662 HZ PHE 86 HZ PHE 86 -5.919 3.336 6.131 663 HA PRO 87 HA PRO 87 -2.311 -2.088 14.149 664 HB2 PRO 87 1HB PRO 87 -2.878 -0.671 16.395 665 HB3 PRO 87 2HB PRO 87 -1.429 -0.391 15.423 666 HG2 PRO 87 1HG PRO 87 -4.016 1.115 15.444 667 HG3 PRO 87 2HG PRO 87 -2.357 1.741 15.391 668 HD2 PRO 87 1HD PRO 87 -3.917 1.558 13.185 669 HD3 PRO 87 2HD PRO 87 -2.154 1.362 13.126 670 H ALA 88 H ALA 88 -3.324 -3.243 15.979 671 HA ALA 88 HA ALA 88 -6.081 -3.819 15.397 672 HB1 ALA 88 1HB ALA 88 -4.232 -4.935 17.502 673 HB2 ALA 88 2HB ALA 88 -5.844 -5.549 17.136 674 HB3 ALA 88 3HB ALA 88 -4.570 -5.635 15.919 675 H SER 89 H SER 89 -6.030 -1.229 16.170 676 HA SER 89 HA SER 89 -6.785 -1.134 18.994 677 HB2 SER 89 1HB SER 89 -5.265 0.591 17.673 678 HB3 SER 89 2HB SER 89 -6.827 1.292 17.249 679 HG SER 89 HG SER 89 -7.035 1.993 19.222 680 H ALA 90 H ALA 90 -8.783 -0.265 19.685 681 HA ALA 90 HA ALA 90 -10.976 -0.893 17.891 682 HB1 ALA 90 1HB ALA 90 -11.579 -1.731 19.902 683 HB2 ALA 90 2HB ALA 90 -10.650 -0.533 20.804 684 HB3 ALA 90 3HB ALA 90 -12.222 -0.104 20.128 685 H ASP 91 H ASP 91 -9.345 1.461 17.334 686 HA ASP 91 HA ASP 91 -11.517 3.398 17.173 687 HB2 ASP 91 1HB ASP 91 -9.938 3.788 19.232 688 HB3 ASP 91 2HB ASP 91 -8.831 4.421 18.017 689 H ARG 92 H ARG 92 -10.942 5.232 15.700 690 HA ARG 92 HA ARG 92 -9.860 4.194 13.281 691 HB2 ARG 92 1HB ARG 92 -11.681 5.788 13.210 692 HB3 ARG 92 2HB ARG 92 -10.709 6.989 14.049 693 HG2 ARG 92 1HG ARG 92 -9.111 6.610 11.974 694 HG3 ARG 92 2HG ARG 92 -10.628 6.121 11.218 695 HD2 ARG 92 1HD ARG 92 -11.615 8.227 11.603 696 HD3 ARG 92 2HD ARG 92 -10.353 8.696 12.741 697 HE ARG 92 HE ARG 92 -9.371 8.193 10.091 698 HH11 ARG 92 2HH1 ARG 92 -10.804 10.561 12.202 699 HH12 ARG 92 1HH1 ARG 92 -10.188 11.916 11.315 700 HH21 ARG 92 2HH2 ARG 92 -8.554 9.968 8.915 701 HH22 ARG 92 1HH2 ARG 92 -8.908 11.577 9.445 702 H THR 93 H THR 93 -7.721 3.633 14.151 703 HA THR 93 HA THR 93 -5.913 5.930 14.433 704 HB THR 93 HB THR 93 -5.374 3.017 15.041 705 HG1 THR 93 1HG THR 93 -5.362 4.121 17.270 706 HG21 THR 93 1HG2 THR 93 -3.503 4.232 16.419 707 HG22 THR 93 2HG2 THR 93 -3.747 5.515 15.234 708 HG23 THR 93 3HG2 THR 93 -3.270 3.903 14.703 709 H VAL 94 H VAL 94 -4.148 6.214 13.114 710 HA VAL 94 HA VAL 94 -3.725 4.296 10.937 711 HB VAL 94 HB VAL 94 -4.322 7.226 10.606 712 HG11 VAL 94 1HG1 VAL 94 -3.092 5.442 8.510 713 HG12 VAL 94 2HG1 VAL 94 -3.497 7.153 8.356 714 HG13 VAL 94 3HG1 VAL 94 -2.198 6.647 9.438 715 HG21 VAL 94 1HG2 VAL 94 -6.304 6.277 10.141 716 HG22 VAL 94 2HG2 VAL 94 -5.559 5.877 8.594 717 HG23 VAL 94 3HG2 VAL 94 -5.595 4.682 9.890 718 H ILE 95 H ILE 95 -1.632 4.005 10.404 719 HA ILE 95 HA ILE 95 0.342 5.791 11.672 720 HB ILE 95 HB ILE 95 0.489 2.826 11.142 721 HG12 ILE 95 1HG1 ILE 95 0.676 4.493 13.659 722 HG13 ILE 95 2HG1 ILE 95 -0.654 3.435 13.201 723 HG21 ILE 95 1HG2 ILE 95 2.641 3.365 10.598 724 HG22 ILE 95 2HG2 ILE 95 2.644 4.822 11.591 725 HG23 ILE 95 3HG2 ILE 95 2.799 3.238 12.350 726 HD11 ILE 95 1HD1 ILE 95 1.616 1.821 13.151 727 HD12 ILE 95 2HD1 ILE 95 1.777 2.820 14.595 728 HD13 ILE 95 3HD1 ILE 95 0.334 1.835 14.361 729 H ASP 96 H ASP 96 1.924 6.656 10.446 730 HA ASP 96 HA ASP 96 1.674 6.463 7.585 731 HB2 ASP 96 1HB ASP 96 3.577 8.111 7.601 732 HB3 ASP 96 2HB ASP 96 2.145 8.631 8.486 733 H TYR 97 H TYR 97 2.653 5.003 6.365 734 HA TYR 97 HA TYR 97 4.737 3.329 7.444 735 HB2 TYR 97 1HB TYR 97 3.041 2.300 6.059 736 HB3 TYR 97 2HB TYR 97 3.406 3.394 4.730 737 HD1 TYR 97 2HD TYR 97 4.635 0.511 6.668 738 HD2 TYR 97 1HD TYR 97 5.254 2.988 3.265 739 HE1 TYR 97 2HE TYR 97 6.269 -1.106 5.796 740 HE2 TYR 97 1HE TYR 97 6.889 1.377 2.382 741 HH TYR 97 HH TYR 97 8.159 -1.167 4.259 742 H ASN 98 H ASN 98 6.723 4.162 7.569 743 HA ASN 98 HA ASN 98 7.757 5.648 5.243 744 HB2 ASN 98 1HB ASN 98 8.175 5.976 8.183 745 HB3 ASN 98 2HB ASN 98 9.497 6.394 7.097 746 HD21 ASN 98 1HD2 ASN 98 5.998 6.888 7.417 747 HD22 ASN 98 2HD2 ASN 98 6.017 8.547 6.934 748 H GLY 99 H GLY 99 7.786 2.899 5.131 749 HA2 GLY 99 1HA GLY 99 10.397 1.968 6.011 750 HA3 GLY 99 2HA GLY 99 9.169 1.013 5.194 751 H GLU 100 H GLU 100 10.428 0.146 3.603 752 HA GLU 100 HA GLU 100 11.844 2.017 1.832 753 HB2 GLU 100 1HB GLU 100 12.812 -0.237 0.942 754 HB3 GLU 100 2HB GLU 100 13.415 0.437 2.449 755 HG2 GLU 100 1HG GLU 100 11.138 -1.458 2.589 756 HG3 GLU 100 2HG GLU 100 12.736 -2.103 2.218 757 H ARG 101 H ARG 101 8.988 0.337 2.068 758 HA ARG 101 HA ARG 101 7.299 -0.104 0.610 759 HB2 ARG 101 1HB ARG 101 8.967 1.857 -0.877 760 HB3 ARG 101 2HB ARG 101 7.771 0.957 -1.801 761 HG2 ARG 101 1HG ARG 101 6.081 1.699 -0.061 762 HG3 ARG 101 2HG ARG 101 7.320 2.821 0.505 763 HD2 ARG 101 1HD ARG 101 6.687 2.766 -2.400 764 HD3 ARG 101 2HD ARG 101 5.527 3.522 -1.309 765 HE ARG 101 HE ARG 101 8.127 4.517 -2.044 766 HH11 ARG 101 2HH1 ARG 101 5.568 4.616 0.314 767 HH12 ARG 101 1HH1 ARG 101 6.003 6.183 0.913 768 HH21 ARG 101 2HH2 ARG 101 8.711 6.580 -1.264 769 HH22 ARG 101 1HH2 ARG 101 7.791 7.299 0.014 770 H THR 102 H THR 102 9.304 -2.036 0.926 771 HA THR 102 HA THR 102 9.333 -3.272 -1.750 772 HB THR 102 HB THR 102 11.420 -4.371 -1.234 773 HG1 THR 102 1HG THR 102 12.481 -3.916 0.764 774 HG21 THR 102 1HG2 THR 102 11.910 -2.338 -2.234 775 HG22 THR 102 2HG2 THR 102 12.855 -2.250 -0.747 776 HG23 THR 102 3HG2 THR 102 11.313 -1.404 -0.863 777 H LEU 103 H LEU 103 8.935 -5.489 -1.874 778 HA LEU 103 HA LEU 103 6.990 -6.595 -0.343 779 HB2 LEU 103 1HB LEU 103 7.671 -7.605 -2.406 780 HB3 LEU 103 2HB LEU 103 9.260 -7.987 -1.749 781 HG LEU 103 HG LEU 103 8.225 -9.610 -0.223 782 HD11 LEU 103 1HD1 LEU 103 5.748 -10.150 -1.173 783 HD12 LEU 103 2HD1 LEU 103 5.773 -8.391 -1.282 784 HD13 LEU 103 3HD1 LEU 103 6.076 -9.182 0.265 785 HD21 LEU 103 1HD2 LEU 103 8.633 -11.084 -1.827 786 HD22 LEU 103 2HD2 LEU 103 8.489 -9.810 -3.039 787 HD23 LEU 103 3HD2 LEU 103 7.066 -10.737 -2.559 788 H ASP 104 H ASP 104 10.481 -7.109 0.133 789 HA ASP 104 HA ASP 104 10.107 -8.614 2.538 790 HB2 ASP 104 1HB ASP 104 12.127 -8.538 0.824 791 HB3 ASP 104 2HB ASP 104 12.708 -7.285 1.918 792 H GLY 105 H GLY 105 10.774 -5.253 1.757 793 HA2 GLY 105 1HA GLY 105 11.503 -4.378 4.333 794 HA3 GLY 105 2HA GLY 105 10.843 -3.364 3.059 795 H PHE 106 H PHE 106 8.370 -4.905 2.852 796 HA PHE 106 HA PHE 106 6.838 -3.484 4.759 797 HB2 PHE 106 1HB PHE 106 6.106 -5.752 2.900 798 HB3 PHE 106 2HB PHE 106 4.936 -4.877 3.882 799 HD1 PHE 106 2HD PHE 106 5.656 -2.126 3.648 800 HD2 PHE 106 1HD PHE 106 5.825 -5.188 0.696 801 HE1 PHE 106 2HE PHE 106 5.443 -0.429 1.880 802 HE2 PHE 106 1HE PHE 106 5.613 -3.495 -1.077 803 HZ PHE 106 HZ PHE 106 5.420 -1.112 -0.486 804 H LYS 107 H LYS 107 7.783 -6.888 4.493 805 HA LYS 107 HA LYS 107 6.336 -7.916 6.632 806 HB2 LYS 107 1HB LYS 107 9.122 -8.789 5.864 807 HB3 LYS 107 2HB LYS 107 7.869 -9.761 6.623 808 HG2 LYS 107 1HG LYS 107 6.521 -9.255 4.468 809 HG3 LYS 107 2HG LYS 107 8.100 -8.856 3.787 810 HD2 LYS 107 1HD LYS 107 8.746 -11.182 4.882 811 HD3 LYS 107 2HD LYS 107 7.017 -11.477 4.684 812 HE2 LYS 107 1HE LYS 107 8.513 -10.348 2.378 813 HE3 LYS 107 2HE LYS 107 8.776 -12.045 2.779 814 HZ1 LYS 107 1HZ LYS 107 6.940 -11.508 1.135 815 HZ2 LYS 107 2HZ LYS 107 6.057 -10.929 2.456 816 HZ3 LYS 107 3HZ LYS 107 6.541 -12.549 2.408 817 H LYS 108 H LYS 108 9.426 -6.228 6.590 818 HA LYS 108 HA LYS 108 10.182 -6.706 9.252 819 HB2 LYS 108 1HB LYS 108 10.783 -4.214 7.655 820 HB3 LYS 108 2HB LYS 108 11.718 -4.874 8.991 821 HG2 LYS 108 1HG LYS 108 11.934 -6.959 7.442 822 HG3 LYS 108 2HG LYS 108 11.530 -5.808 6.167 823 HD2 LYS 108 1HD LYS 108 13.870 -5.788 6.245 824 HD3 LYS 108 2HD LYS 108 13.392 -4.349 7.149 825 HE2 LYS 108 1HE LYS 108 13.939 -5.301 9.195 826 HE3 LYS 108 2HE LYS 108 13.842 -6.946 8.567 827 HZ1 LYS 108 1HZ LYS 108 16.103 -5.330 8.814 828 HZ2 LYS 108 2HZ LYS 108 15.835 -5.564 7.161 829 HZ3 LYS 108 3HZ LYS 108 16.007 -6.898 8.187 830 H PHE 109 H PHE 109 8.443 -3.949 7.819 831 HA PHE 109 HA PHE 109 8.048 -2.533 10.205 832 HB2 PHE 109 1HB PHE 109 7.721 -1.585 7.933 833 HB3 PHE 109 2HB PHE 109 6.263 -2.558 7.763 834 HD1 PHE 109 2HD PHE 109 7.785 0.310 9.460 835 HD2 PHE 109 1HD PHE 109 4.232 -1.963 8.891 836 HE1 PHE 109 2HE PHE 109 6.472 2.107 10.509 837 HE2 PHE 109 1HE PHE 109 2.913 -0.169 9.938 838 HZ PHE 109 HZ PHE 109 4.032 1.868 10.749 839 H LEU 110 H LEU 110 6.073 -4.991 8.604 840 HA LEU 110 HA LEU 110 3.894 -4.838 10.413 841 HB2 LEU 110 1HB LEU 110 4.787 -7.070 8.595 842 HB3 LEU 110 2HB LEU 110 3.249 -7.030 9.456 843 HG LEU 110 HG LEU 110 4.049 -4.938 7.444 844 HD11 LEU 110 1HD1 LEU 110 2.378 -6.245 5.987 845 HD12 LEU 110 2HD1 LEU 110 2.738 -7.602 7.053 846 HD13 LEU 110 3HD1 LEU 110 4.030 -6.847 6.120 847 HD21 LEU 110 1HD2 LEU 110 1.261 -5.387 7.628 848 HD22 LEU 110 2HD2 LEU 110 2.173 -3.951 8.094 849 HD23 LEU 110 3HD2 LEU 110 1.887 -5.235 9.270 850 H GLU 111 H GLU 111 6.297 -7.451 10.024 851 HA GLU 111 HA GLU 111 5.771 -8.970 12.196 852 HB2 GLU 111 1HB GLU 111 8.434 -8.190 11.026 853 HB3 GLU 111 2HB GLU 111 8.300 -9.358 12.332 854 HG2 GLU 111 1HG GLU 111 6.549 -10.451 10.673 855 HG3 GLU 111 2HG GLU 111 7.528 -9.596 9.483 856 H SER 112 H SER 112 7.526 -5.910 12.193 857 HA SER 112 HA SER 112 8.401 -5.938 14.854 858 HB2 SER 112 1HB SER 112 7.719 -3.644 13.007 859 HB3 SER 112 2HB SER 112 8.437 -3.418 14.602 860 HG SER 112 HG SER 112 9.540 -4.610 12.304 861 H GLY 113 H GLY 113 5.386 -4.746 13.417 862 HA2 GLY 113 1HA GLY 113 3.381 -5.202 14.839 863 HA3 GLY 113 2HA GLY 113 4.301 -4.487 16.155 864 H GLY 114 H GLY 114 4.889 -2.931 13.217 865 HA2 GLY 114 1HA GLY 114 3.888 -1.073 12.200 866 HA3 GLY 114 2HA GLY 114 2.660 -1.073 13.457 867 H GLN 115 H GLN 115 6.046 -1.219 14.254 868 HA GLN 115 HA GLN 115 5.966 0.917 16.031 869 HB2 GLN 115 1HB GLN 115 8.327 -0.247 14.548 870 HB3 GLN 115 2HB GLN 115 8.456 0.867 15.902 871 HG2 GLN 115 1HG GLN 115 6.997 -1.742 16.128 872 HG3 GLN 115 2HG GLN 115 8.737 -1.614 16.382 873 HE21 GLN 115 1HE2 GLN 115 5.635 -0.317 17.457 874 HE22 GLN 115 2HE2 GLN 115 6.129 0.005 19.081 875 H SER 116 H SER 116 5.922 3.047 15.775 876 HA SER 116 HA SER 116 6.171 4.172 13.118 877 HB2 SER 116 1HB SER 116 4.385 5.157 14.224 878 HB3 SER 116 2HB SER 116 5.224 5.178 15.775 879 HG SER 116 HG SER 116 6.194 6.726 13.641 880 H GLY 117 H GLY 117 7.689 4.723 16.297 881 HA2 GLY 117 1HA GLY 117 10.301 4.919 15.358 882 HA3 GLY 117 2HA GLY 117 9.634 6.545 15.333 883 HA PRO 118 HA PRO 118 11.117 6.779 19.497 884 HB2 PRO 118 1HB PRO 118 10.054 9.208 20.079 885 HB3 PRO 118 2HB PRO 118 11.490 9.005 19.069 886 HG2 PRO 118 1HG PRO 118 8.647 9.459 18.250 887 HG3 PRO 118 2HG PRO 118 10.128 10.189 17.603 888 HD2 PRO 118 1HD PRO 118 8.851 8.146 16.367 889 HD3 PRO 118 2HD PRO 118 10.613 8.353 16.297 890 H SER 119 H SER 119 10.118 7.426 21.683 891 HA SER 119 HA SER 119 8.145 5.678 22.410 892 HB2 SER 119 1HB SER 119 8.231 8.299 23.841 893 HB3 SER 119 2HB SER 119 8.191 6.663 24.497 894 HG SER 119 HG SER 119 10.265 8.055 24.463 895 H SER 120 H SER 120 5.920 5.951 23.023 896 HA SER 120 HA SER 120 4.536 8.068 21.510 897 HB2 SER 120 1HB SER 120 2.670 6.318 21.259 898 HB3 SER 120 2HB SER 120 4.110 6.109 20.262 899 HG SER 120 HG SER 120 3.106 4.511 22.233 900 H GLY 121 H GLY 121 4.895 6.336 24.452 901 HA2 GLY 121 1HA GLY 121 2.721 7.947 25.624 902 HA3 GLY 121 2HA GLY 121 2.877 6.240 26.012 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -13.210 -25.047 7.369 2 HA2 GLY 1 1HA GLY 1 -15.627 -23.355 7.454 3 HA3 GLY 1 2HA GLY 1 -14.160 -22.955 6.573 4 H SER 2 H SER 2 -13.679 -25.404 5.316 5 HA SER 2 HA SER 2 -14.146 -26.403 3.320 6 HB2 SER 2 1HB SER 2 -15.850 -27.404 5.065 7 HB3 SER 2 2HB SER 2 -17.038 -26.548 4.081 8 HG SER 2 HG SER 2 -16.922 -28.257 2.864 9 H SER 3 H SER 3 -14.092 -23.655 3.118 10 HA SER 3 HA SER 3 -16.322 -23.053 1.290 11 HB2 SER 3 1HB SER 3 -15.685 -20.647 1.668 12 HB3 SER 3 2HB SER 3 -16.282 -21.475 3.106 13 HG SER 3 HG SER 3 -14.341 -21.389 3.986 14 H GLY 4 H GLY 4 -12.820 -22.640 1.741 15 HA2 GLY 4 1HA GLY 4 -11.115 -22.660 0.193 16 HA3 GLY 4 2HA GLY 4 -12.282 -23.211 -1.000 17 H SER 5 H SER 5 -11.189 -20.310 0.726 18 HA SER 5 HA SER 5 -12.411 -18.543 -1.188 19 HB2 SER 5 1HB SER 5 -11.915 -18.104 1.331 20 HB3 SER 5 2HB SER 5 -10.294 -17.693 0.769 21 HG SER 5 HG SER 5 -12.444 -16.546 -0.580 22 H SER 6 H SER 6 -10.832 -16.672 -1.966 23 HA SER 6 HA SER 6 -8.253 -17.633 -2.848 24 HB2 SER 6 1HB SER 6 -8.666 -17.565 -5.196 25 HB3 SER 6 2HB SER 6 -9.953 -18.549 -4.500 26 HG SER 6 HG SER 6 -11.057 -16.326 -4.427 27 H GLY 7 H GLY 7 -6.860 -15.986 -2.949 28 HA2 GLY 7 1HA GLY 7 -6.790 -13.621 -4.049 29 HA3 GLY 7 2HA GLY 7 -7.951 -13.267 -2.778 30 HA PRO 8 HA PRO 8 -3.355 -13.684 -1.206 31 HB2 PRO 8 1HB PRO 8 -1.910 -11.781 -2.495 32 HB3 PRO 8 2HB PRO 8 -2.011 -13.455 -3.055 33 HG2 PRO 8 1HG PRO 8 -3.510 -11.045 -4.008 34 HG3 PRO 8 2HG PRO 8 -2.764 -12.345 -4.955 35 HD2 PRO 8 1HD PRO 8 -5.421 -12.255 -4.444 36 HD3 PRO 8 2HD PRO 8 -4.532 -13.783 -4.609 37 H VAL 9 H VAL 9 -4.531 -10.555 -2.464 38 HA VAL 9 HA VAL 9 -4.298 -9.476 0.271 39 HB VAL 9 HB VAL 9 -2.744 -8.206 -0.870 40 HG11 VAL 9 1HG1 VAL 9 -2.849 -7.536 -3.155 41 HG12 VAL 9 2HG1 VAL 9 -3.299 -9.241 -3.084 42 HG13 VAL 9 3HG1 VAL 9 -4.544 -8.006 -3.277 43 HG21 VAL 9 1HG2 VAL 9 -4.997 -6.948 -0.056 44 HG22 VAL 9 2HG2 VAL 9 -3.551 -6.116 -0.629 45 HG23 VAL 9 3HG2 VAL 9 -4.900 -6.398 -1.729 46 H LYS 10 H LYS 10 -6.028 -8.456 1.137 47 HA LYS 10 HA LYS 10 -8.584 -8.861 -0.036 48 HB2 LYS 10 1HB LYS 10 -7.726 -8.506 2.501 49 HB3 LYS 10 2HB LYS 10 -8.330 -6.890 2.158 50 HG2 LYS 10 1HG LYS 10 -10.410 -8.293 1.269 51 HG3 LYS 10 2HG LYS 10 -9.793 -9.442 2.458 52 HD2 LYS 10 1HD LYS 10 -10.158 -8.000 4.232 53 HD3 LYS 10 2HD LYS 10 -10.135 -6.566 3.203 54 HE2 LYS 10 1HE LYS 10 -12.387 -6.869 3.835 55 HE3 LYS 10 2HE LYS 10 -12.275 -7.439 2.171 56 HZ1 LYS 10 1HZ LYS 10 -13.008 -8.871 4.526 57 HZ2 LYS 10 2HZ LYS 10 -11.754 -9.648 3.698 58 HZ3 LYS 10 3HZ LYS 10 -13.205 -9.302 2.902 59 H VAL 11 H VAL 11 -10.091 -7.329 -0.767 60 HA VAL 11 HA VAL 11 -8.875 -4.834 -1.750 61 HB VAL 11 HB VAL 11 -11.279 -6.297 -2.848 62 HG11 VAL 11 1HG1 VAL 11 -9.812 -4.187 -4.344 63 HG12 VAL 11 2HG1 VAL 11 -11.511 -4.657 -4.423 64 HG13 VAL 11 3HG1 VAL 11 -10.925 -3.690 -3.069 65 HG21 VAL 11 1HG2 VAL 11 -9.291 -6.249 -4.776 66 HG22 VAL 11 2HG2 VAL 11 -8.432 -6.634 -3.285 67 HG23 VAL 11 3HG2 VAL 11 -9.781 -7.641 -3.810 68 H LEU 12 H LEU 12 -9.335 -3.341 -0.218 69 HA LEU 12 HA LEU 12 -11.881 -3.249 1.115 70 HB2 LEU 12 1HB LEU 12 -9.670 -1.201 1.090 71 HB3 LEU 12 2HB LEU 12 -11.013 -1.282 2.228 72 HG LEU 12 HG LEU 12 -8.913 -3.429 1.994 73 HD11 LEU 12 1HD1 LEU 12 -8.971 -0.920 3.628 74 HD12 LEU 12 2HD1 LEU 12 -7.651 -1.601 2.678 75 HD13 LEU 12 3HD1 LEU 12 -8.128 -2.361 4.196 76 HD21 LEU 12 1HD2 LEU 12 -11.025 -2.787 4.046 77 HD22 LEU 12 2HD2 LEU 12 -9.739 -3.972 4.281 78 HD23 LEU 12 3HD2 LEU 12 -10.937 -4.211 3.008 79 H VAL 13 H VAL 13 -13.457 -1.633 0.939 80 HA VAL 13 HA VAL 13 -13.305 0.029 -1.489 81 HB VAL 13 HB VAL 13 -15.804 -0.290 -1.685 82 HG11 VAL 13 1HG1 VAL 13 -14.206 -2.819 -2.033 83 HG12 VAL 13 2HG1 VAL 13 -15.609 -2.292 -2.966 84 HG13 VAL 13 3HG1 VAL 13 -14.079 -1.425 -3.105 85 HG21 VAL 13 1HG2 VAL 13 -15.871 -2.878 -0.455 86 HG22 VAL 13 2HG2 VAL 13 -15.433 -1.658 0.742 87 HG23 VAL 13 3HG2 VAL 13 -16.924 -1.488 -0.185 88 H GLY 14 H GLY 14 -14.623 1.961 -1.451 89 HA2 GLY 14 1HA GLY 14 -14.414 3.376 0.986 90 HA3 GLY 14 2HA GLY 14 -15.257 3.929 -0.453 91 H LYS 15 H LYS 15 -16.611 1.045 0.173 92 HA LYS 15 HA LYS 15 -18.879 2.288 1.522 93 HB2 LYS 15 1HB LYS 15 -19.158 0.925 -0.575 94 HB3 LYS 15 2HB LYS 15 -18.691 -0.492 0.356 95 HG2 LYS 15 1HG LYS 15 -20.612 -0.134 1.840 96 HG3 LYS 15 2HG LYS 15 -21.089 1.258 0.865 97 HD2 LYS 15 1HD LYS 15 -20.751 -1.499 -0.293 98 HD3 LYS 15 2HD LYS 15 -22.281 -0.927 0.376 99 HE2 LYS 15 1HE LYS 15 -22.240 0.957 -1.209 100 HE3 LYS 15 2HE LYS 15 -20.743 0.329 -1.896 101 HZ1 LYS 15 1HZ LYS 15 -23.334 -1.122 -1.854 102 HZ2 LYS 15 2HZ LYS 15 -21.901 -1.656 -2.578 103 HZ3 LYS 15 3HZ LYS 15 -22.705 -0.299 -3.191 104 H ASN 16 H ASN 16 -16.746 -0.528 1.880 105 HA ASN 16 HA ASN 16 -17.519 -0.633 4.722 106 HB2 ASN 16 1HB ASN 16 -17.198 -3.053 4.677 107 HB3 ASN 16 2HB ASN 16 -18.398 -2.576 3.480 108 HD21 ASN 16 1HD2 ASN 16 -14.988 -3.378 3.884 109 HD22 ASN 16 2HD2 ASN 16 -14.772 -4.038 2.303 110 H PHE 17 H PHE 17 -15.290 0.737 3.262 111 HA PHE 17 HA PHE 17 -12.843 -0.512 3.575 112 HB2 PHE 17 1HB PHE 17 -12.700 1.513 2.460 113 HB3 PHE 17 2HB PHE 17 -13.722 2.346 3.627 114 HD1 PHE 17 2HD PHE 17 -10.389 0.704 3.365 115 HD2 PHE 17 1HD PHE 17 -12.747 3.758 5.162 116 HE1 PHE 17 2HE PHE 17 -8.383 1.594 4.477 117 HE2 PHE 17 1HE PHE 17 -10.745 4.654 6.276 118 HZ PHE 17 HZ PHE 17 -8.559 3.571 5.936 119 H GLU 18 H GLU 18 -14.188 1.860 5.877 120 HA GLU 18 HA GLU 18 -12.386 1.338 7.938 121 HB2 GLU 18 1HB GLU 18 -15.249 2.261 8.234 122 HB3 GLU 18 2HB GLU 18 -13.955 2.480 9.404 123 HG2 GLU 18 1HG GLU 18 -12.760 3.894 7.791 124 HG3 GLU 18 2HG GLU 18 -14.099 3.707 6.660 125 H ASP 19 H ASP 19 -15.370 -0.264 7.054 126 HA ASP 19 HA ASP 19 -15.871 -1.708 9.381 127 HB2 ASP 19 1HB ASP 19 -16.479 -2.153 6.485 128 HB3 ASP 19 2HB ASP 19 -16.803 -3.446 7.636 129 H VAL 20 H VAL 20 -13.735 -2.444 6.661 130 HA VAL 20 HA VAL 20 -12.797 -4.852 8.048 131 HB VAL 20 HB VAL 20 -12.294 -3.893 5.228 132 HG11 VAL 20 1HG1 VAL 20 -11.016 -5.820 4.832 133 HG12 VAL 20 2HG1 VAL 20 -10.418 -5.193 6.369 134 HG13 VAL 20 3HG1 VAL 20 -11.520 -6.570 6.345 135 HG21 VAL 20 1HG2 VAL 20 -14.154 -4.972 4.679 136 HG22 VAL 20 2HG2 VAL 20 -13.537 -6.454 5.409 137 HG23 VAL 20 3HG2 VAL 20 -14.452 -5.305 6.385 138 H ALA 21 H ALA 21 -11.359 -2.138 6.227 139 HA ALA 21 HA ALA 21 -8.736 -2.414 6.887 140 HB1 ALA 21 1HB ALA 21 -9.573 0.367 7.118 141 HB2 ALA 21 2HB ALA 21 -8.497 -0.401 5.950 142 HB3 ALA 21 3HB ALA 21 -10.243 -0.448 5.704 143 H PHE 22 H PHE 22 -11.069 -0.489 8.783 144 HA PHE 22 HA PHE 22 -9.206 -0.346 11.000 145 HB2 PHE 22 1HB PHE 22 -11.875 0.875 10.392 146 HB3 PHE 22 2HB PHE 22 -11.280 0.863 12.049 147 HD1 PHE 22 2HD PHE 22 -8.783 1.712 12.303 148 HD2 PHE 22 1HD PHE 22 -11.386 2.688 9.080 149 HE1 PHE 22 2HE PHE 22 -7.446 3.724 11.836 150 HE2 PHE 22 1HE PHE 22 -10.053 4.701 8.608 151 HZ PHE 22 HZ PHE 22 -8.080 5.222 9.987 152 H ASP 23 H ASP 23 -9.041 -2.458 11.738 153 HA ASP 23 HA ASP 23 -11.463 -3.505 13.049 154 HB2 ASP 23 1HB ASP 23 -9.361 -4.955 11.463 155 HB3 ASP 23 2HB ASP 23 -10.295 -5.795 12.698 156 H GLU 24 H GLU 24 -11.294 -3.884 15.167 157 HA GLU 24 HA GLU 24 -8.909 -3.180 16.560 158 HB2 GLU 24 1HB GLU 24 -10.980 -2.690 17.627 159 HB3 GLU 24 2HB GLU 24 -11.540 -4.348 17.453 160 HG2 GLU 24 1HG GLU 24 -10.969 -4.234 19.682 161 HG3 GLU 24 2HG GLU 24 -9.532 -4.948 18.952 162 H LYS 25 H LYS 25 -7.553 -4.481 17.811 163 HA LYS 25 HA LYS 25 -6.269 -6.303 18.261 164 HB2 LYS 25 1HB LYS 25 -9.023 -7.457 18.108 165 HB3 LYS 25 2HB LYS 25 -7.650 -8.548 18.239 166 HG2 LYS 25 1HG LYS 25 -7.975 -6.273 20.152 167 HG3 LYS 25 2HG LYS 25 -8.854 -7.786 20.383 168 HD2 LYS 25 1HD LYS 25 -6.789 -9.026 20.470 169 HD3 LYS 25 2HD LYS 25 -5.860 -7.580 20.069 170 HE2 LYS 25 1HE LYS 25 -5.600 -7.679 22.357 171 HE3 LYS 25 2HE LYS 25 -6.988 -6.603 22.205 172 HZ1 LYS 25 1HZ LYS 25 -6.929 -8.770 23.770 173 HZ2 LYS 25 2HZ LYS 25 -7.635 -9.418 22.377 174 HZ3 LYS 25 3HZ LYS 25 -8.350 -8.093 23.148 175 H LYS 26 H LYS 26 -6.609 -5.381 15.485 176 HA LYS 26 HA LYS 26 -5.373 -7.666 14.200 177 HB2 LYS 26 1HB LYS 26 -7.614 -8.160 13.596 178 HB3 LYS 26 2HB LYS 26 -7.973 -6.473 13.252 179 HG2 LYS 26 1HG LYS 26 -7.767 -7.332 11.139 180 HG3 LYS 26 2HG LYS 26 -6.128 -6.745 11.429 181 HD2 LYS 26 1HD LYS 26 -6.107 -8.982 10.444 182 HD3 LYS 26 2HD LYS 26 -5.431 -8.997 12.075 183 HE2 LYS 26 1HE LYS 26 -8.336 -9.521 11.801 184 HE3 LYS 26 2HE LYS 26 -7.234 -10.779 11.241 185 HZ1 LYS 26 1HZ LYS 26 -6.355 -9.850 13.739 186 HZ2 LYS 26 2HZ LYS 26 -6.914 -11.392 13.328 187 HZ3 LYS 26 3HZ LYS 26 -8.003 -10.213 13.861 188 H ASN 27 H ASN 27 -3.680 -6.976 13.073 189 HA ASN 27 HA ASN 27 -3.423 -4.130 12.506 190 HB2 ASN 27 1HB ASN 27 -1.373 -6.317 12.108 191 HB3 ASN 27 2HB ASN 27 -1.081 -4.581 12.129 192 HD21 ASN 27 1HD2 ASN 27 -1.643 -7.414 14.015 193 HD22 ASN 27 2HD2 ASN 27 -1.326 -6.707 15.559 194 H VAL 28 H VAL 28 -4.548 -3.633 10.694 195 HA VAL 28 HA VAL 28 -4.152 -5.284 8.299 196 HB VAL 28 HB VAL 28 -6.171 -3.095 8.812 197 HG11 VAL 28 1HG1 VAL 28 -6.317 -3.018 6.587 198 HG12 VAL 28 2HG1 VAL 28 -5.318 -4.459 6.390 199 HG13 VAL 28 3HG1 VAL 28 -7.049 -4.619 6.689 200 HG21 VAL 28 1HG2 VAL 28 -6.393 -5.290 10.089 201 HG22 VAL 28 2HG2 VAL 28 -7.787 -4.770 9.141 202 HG23 VAL 28 3HG2 VAL 28 -6.723 -6.035 8.524 203 H PHE 29 H PHE 29 -2.835 -4.625 6.740 204 HA PHE 29 HA PHE 29 -1.880 -1.851 6.788 205 HB2 PHE 29 1HB PHE 29 -0.187 -3.663 6.938 206 HB3 PHE 29 2HB PHE 29 -0.704 -4.243 5.358 207 HD1 PHE 29 1HD PHE 29 -0.854 -0.705 5.610 208 HD2 PHE 29 2HD PHE 29 1.801 -3.954 4.897 209 HE1 PHE 29 1HE PHE 29 0.733 0.834 4.530 210 HE2 PHE 29 2HE PHE 29 3.393 -2.420 3.816 211 HZ PHE 29 HZ PHE 29 2.860 -0.023 3.632 212 H VAL 30 H VAL 30 -3.285 -0.672 5.597 213 HA VAL 30 HA VAL 30 -4.352 -1.668 3.102 214 HB VAL 30 HB VAL 30 -4.599 1.132 4.195 215 HG11 VAL 30 1HG1 VAL 30 -5.420 1.256 2.062 216 HG12 VAL 30 2HG1 VAL 30 -5.922 -0.436 2.038 217 HG13 VAL 30 3HG1 VAL 30 -6.875 0.756 2.923 218 HG21 VAL 30 1HG2 VAL 30 -6.129 -1.360 4.869 219 HG22 VAL 30 2HG2 VAL 30 -5.409 -0.175 5.959 220 HG23 VAL 30 3HG2 VAL 30 -6.851 0.241 5.033 221 H GLU 31 H GLU 31 -4.182 -0.403 1.095 222 HA GLU 31 HA GLU 31 -1.745 1.192 0.845 223 HB2 GLU 31 1HB GLU 31 -0.826 -0.862 0.226 224 HB3 GLU 31 2HB GLU 31 -2.304 -1.396 -0.562 225 HG2 GLU 31 1HG GLU 31 -1.890 0.396 -2.286 226 HG3 GLU 31 2HG GLU 31 -0.295 0.598 -1.563 227 H PHE 32 H PHE 32 -2.622 3.056 0.181 228 HA PHE 32 HA PHE 32 -4.870 3.112 -1.629 229 HB2 PHE 32 1HB PHE 32 -3.200 5.342 -0.450 230 HB3 PHE 32 2HB PHE 32 -4.647 5.582 -1.425 231 HD1 PHE 32 1HD PHE 32 -6.850 4.880 -0.557 232 HD2 PHE 32 2HD PHE 32 -3.336 4.747 1.841 233 HE1 PHE 32 1HE PHE 32 -8.241 4.727 1.467 234 HE2 PHE 32 2HE PHE 32 -4.721 4.593 3.868 235 HZ PHE 32 HZ PHE 32 -7.177 4.582 3.683 236 H TYR 33 H TYR 33 -4.396 2.514 -3.665 237 HA TYR 33 HA TYR 33 -2.045 3.723 -4.957 238 HB2 TYR 33 1HB TYR 33 -2.098 1.905 -6.537 239 HB3 TYR 33 2HB TYR 33 -2.175 1.227 -4.915 240 HD1 TYR 33 2HD TYR 33 -4.234 2.079 -7.880 241 HD2 TYR 33 1HD TYR 33 -3.970 -0.153 -4.267 242 HE1 TYR 33 2HE TYR 33 -6.271 0.847 -8.499 243 HE2 TYR 33 1HE TYR 33 -6.006 -1.392 -4.877 244 HH TYR 33 HH TYR 33 -7.196 -1.973 -7.145 245 H ALA 34 H ALA 34 -2.379 4.048 -7.391 246 HA ALA 34 HA ALA 34 -5.064 5.140 -7.912 247 HB1 ALA 34 1HB ALA 34 -2.955 6.738 -7.418 248 HB2 ALA 34 2HB ALA 34 -2.798 6.547 -9.164 249 HB3 ALA 34 3HB ALA 34 -4.293 7.182 -8.478 250 HA PRO 35 HA PRO 35 -4.835 2.665 -11.564 251 HB2 PRO 35 1HB PRO 35 -6.909 3.792 -12.903 252 HB3 PRO 35 2HB PRO 35 -7.132 2.697 -11.534 253 HG2 PRO 35 1HG PRO 35 -7.222 5.688 -11.601 254 HG3 PRO 35 2HG PRO 35 -8.296 4.555 -10.760 255 HD2 PRO 35 1HD PRO 35 -6.304 5.884 -9.496 256 HD3 PRO 35 2HD PRO 35 -6.820 4.256 -9.015 257 H TRP 36 H TRP 36 -4.064 5.918 -11.361 258 HA TRP 36 HA TRP 36 -3.201 5.959 -14.179 259 HB2 TRP 36 1HB TRP 36 -3.316 8.576 -13.687 260 HB3 TRP 36 2HB TRP 36 -4.714 7.673 -14.262 261 HD1 TRP 36 HD TRP 36 -6.773 7.445 -12.642 262 HE1 TRP 36 1HE TRP 36 -7.363 8.509 -10.374 263 HE3 TRP 36 3HE TRP 36 -2.201 9.397 -11.449 264 HZ2 TRP 36 2HZ TRP 36 -6.062 9.982 -8.348 265 HZ3 TRP 36 3HZ TRP 36 -1.959 10.620 -9.327 266 HH2 TRP 36 HH TRP 36 -3.850 10.905 -7.811 267 H CYS 37 H CYS 37 -2.227 5.864 -11.008 268 HA CYS 37 HA CYS 37 0.122 7.525 -11.258 269 HB2 CYS 37 1HB CYS 37 -0.852 7.399 -9.077 270 HB3 CYS 37 2HB CYS 37 -0.847 5.640 -9.108 271 HG CYS 37 HG CYS 37 1.083 6.671 -7.287 272 H GLY 38 H GLY 38 1.911 6.906 -12.262 273 HA2 GLY 38 1HA GLY 38 2.335 4.319 -13.276 274 HA3 GLY 38 2HA GLY 38 3.551 5.584 -13.171 275 H HIS 39 H HIS 39 4.241 5.960 -10.745 276 HA HIS 39 HA HIS 39 5.849 3.956 -9.919 277 HB2 HIS 39 1HB HIS 39 4.360 5.914 -8.162 278 HB3 HIS 39 2HB HIS 39 5.706 4.922 -7.612 279 HD1 HIS 39 1HD HIS 39 8.057 5.425 -8.775 280 HD2 HIS 39 2HD HIS 39 5.067 8.232 -9.438 281 HE1 HIS 39 1HE HIS 39 9.237 7.476 -9.626 282 HE2 HIS 39 2HE HIS 39 7.417 9.189 -9.940 283 H CYS 40 H CYS 40 2.411 4.213 -9.319 284 HA CYS 40 HA CYS 40 2.212 2.203 -7.346 285 HB2 CYS 40 1HB CYS 40 0.320 3.606 -9.163 286 HB3 CYS 40 2HB CYS 40 -0.222 2.092 -8.448 287 HG CYS 40 HG CYS 40 0.928 4.737 -6.608 288 H LYS 41 H LYS 41 1.888 2.117 -10.875 289 HA LYS 41 HA LYS 41 1.039 -0.429 -11.325 290 HB2 LYS 41 1HB LYS 41 2.985 1.324 -12.772 291 HB3 LYS 41 2HB LYS 41 2.756 -0.332 -13.318 292 HG2 LYS 41 1HG LYS 41 1.133 0.550 -14.578 293 HG3 LYS 41 2HG LYS 41 0.185 0.494 -13.089 294 HD2 LYS 41 1HD LYS 41 1.184 2.831 -12.634 295 HD3 LYS 41 2HD LYS 41 1.580 2.828 -14.354 296 HE2 LYS 41 1HE LYS 41 -0.545 3.923 -14.012 297 HE3 LYS 41 2HE LYS 41 -0.795 2.403 -14.868 298 HZ1 LYS 41 1HZ LYS 41 -1.696 1.405 -12.993 299 HZ2 LYS 41 2HZ LYS 41 -2.349 2.964 -12.943 300 HZ3 LYS 41 3HZ LYS 41 -1.056 2.557 -11.931 301 H GLN 42 H GLN 42 4.199 0.576 -10.205 302 HA GLN 42 HA GLN 42 5.389 -2.024 -10.519 303 HB2 GLN 42 1HB GLN 42 6.317 0.440 -9.036 304 HB3 GLN 42 2HB GLN 42 7.274 -1.022 -9.225 305 HG2 GLN 42 1HG GLN 42 6.207 0.478 -11.589 306 HG3 GLN 42 2HG GLN 42 7.729 0.916 -10.814 307 HE21 GLN 42 1HE2 GLN 42 8.354 0.393 -13.129 308 HE22 GLN 42 2HE2 GLN 42 8.854 -1.231 -13.438 309 H LEU 43 H LEU 43 3.684 -0.298 -8.026 310 HA LEU 43 HA LEU 43 4.472 -2.048 -5.891 311 HB2 LEU 43 1HB LEU 43 3.595 0.415 -5.828 312 HB3 LEU 43 2HB LEU 43 2.012 -0.358 -5.800 313 HG LEU 43 HG LEU 43 2.680 -1.559 -3.740 314 HD11 LEU 43 1HD1 LEU 43 4.813 0.030 -2.849 315 HD12 LEU 43 2HD1 LEU 43 5.256 -0.534 -4.460 316 HD13 LEU 43 3HD1 LEU 43 4.826 -1.697 -3.206 317 HD21 LEU 43 1HD2 LEU 43 2.903 1.447 -3.629 318 HD22 LEU 43 2HD2 LEU 43 2.561 0.393 -2.257 319 HD23 LEU 43 3HD2 LEU 43 1.411 0.507 -3.591 320 H ALA 44 H ALA 44 1.917 -1.943 -8.249 321 HA ALA 44 HA ALA 44 -0.117 -3.400 -7.236 322 HB1 ALA 44 1HB ALA 44 -0.779 -3.491 -9.356 323 HB2 ALA 44 2HB ALA 44 0.764 -2.758 -9.795 324 HB3 ALA 44 3HB ALA 44 0.588 -4.512 -9.805 325 HA PRO 45 HA PRO 45 2.184 -7.587 -8.008 326 HB2 PRO 45 1HB PRO 45 4.850 -7.455 -8.503 327 HB3 PRO 45 2HB PRO 45 3.632 -7.408 -9.783 328 HG2 PRO 45 1HG PRO 45 5.126 -5.150 -8.505 329 HG3 PRO 45 2HG PRO 45 4.756 -5.419 -10.218 330 HD2 PRO 45 1HD PRO 45 3.335 -3.710 -8.671 331 HD3 PRO 45 2HD PRO 45 2.604 -4.621 -10.007 332 H ILE 46 H ILE 46 4.551 -5.249 -6.708 333 HA ILE 46 HA ILE 46 5.598 -6.860 -4.700 334 HB ILE 46 HB ILE 46 5.239 -3.864 -4.578 335 HG12 ILE 46 1HG1 ILE 46 7.789 -5.163 -5.416 336 HG13 ILE 46 2HG1 ILE 46 6.481 -5.083 -6.590 337 HG21 ILE 46 1HG2 ILE 46 7.320 -5.578 -3.237 338 HG22 ILE 46 2HG2 ILE 46 7.036 -3.853 -3.009 339 HG23 ILE 46 3HG2 ILE 46 5.844 -5.025 -2.447 340 HD11 ILE 46 1HD1 ILE 46 6.528 -2.534 -5.655 341 HD12 ILE 46 2HD1 ILE 46 8.233 -2.980 -5.575 342 HD13 ILE 46 3HD1 ILE 46 7.360 -3.099 -7.103 343 H TRP 47 H TRP 47 2.589 -5.138 -4.844 344 HA TRP 47 HA TRP 47 2.095 -5.410 -1.994 345 HB2 TRP 47 1HB TRP 47 1.347 -3.423 -3.408 346 HB3 TRP 47 2HB TRP 47 0.125 -4.494 -4.088 347 HD1 TRP 47 HD TRP 47 -2.124 -4.428 -2.879 348 HE1 TRP 47 1HE TRP 47 -2.948 -3.729 -0.543 349 HE3 TRP 47 3HE TRP 47 2.381 -3.334 -0.724 350 HZ2 TRP 47 2HZ TRP 47 -1.835 -2.832 1.891 351 HZ3 TRP 47 3HZ TRP 47 2.414 -2.561 1.611 352 HH2 TRP 47 HH TRP 47 0.349 -2.316 2.890 353 H ASP 48 H ASP 48 1.242 -6.974 -4.993 354 HA ASP 48 HA ASP 48 -0.856 -8.571 -3.826 355 HB2 ASP 48 1HB ASP 48 0.344 -8.227 -6.507 356 HB3 ASP 48 2HB ASP 48 -0.304 -9.828 -6.160 357 H LYS 49 H LYS 49 2.547 -8.748 -4.081 358 HA LYS 49 HA LYS 49 2.661 -11.634 -3.781 359 HB2 LYS 49 1HB LYS 49 4.674 -9.450 -4.128 360 HB3 LYS 49 2HB LYS 49 5.195 -10.988 -3.451 361 HG2 LYS 49 1HG LYS 49 4.882 -12.117 -5.406 362 HG3 LYS 49 2HG LYS 49 3.602 -11.034 -5.957 363 HD2 LYS 49 1HD LYS 49 5.347 -10.466 -7.361 364 HD3 LYS 49 2HD LYS 49 5.516 -9.271 -6.073 365 HE2 LYS 49 1HE LYS 49 7.366 -10.335 -5.159 366 HE3 LYS 49 2HE LYS 49 6.980 -11.877 -5.922 367 HZ1 LYS 49 1HZ LYS 49 8.703 -9.892 -6.847 368 HZ2 LYS 49 2HZ LYS 49 7.396 -9.947 -7.920 369 HZ3 LYS 49 3HZ LYS 49 8.292 -11.347 -7.606 370 H LEU 50 H LEU 50 2.759 -8.785 -1.812 371 HA LEU 50 HA LEU 50 3.839 -10.166 0.495 372 HB2 LEU 50 1HB LEU 50 4.534 -8.000 0.582 373 HB3 LEU 50 2HB LEU 50 3.066 -7.385 -0.176 374 HG LEU 50 HG LEU 50 1.941 -7.960 2.082 375 HD11 LEU 50 1HD1 LEU 50 4.771 -8.461 2.646 376 HD12 LEU 50 2HD1 LEU 50 3.326 -9.017 3.490 377 HD13 LEU 50 3HD1 LEU 50 3.967 -7.405 3.808 378 HD21 LEU 50 1HD2 LEU 50 3.610 -5.734 2.757 379 HD22 LEU 50 2HD2 LEU 50 1.918 -5.748 2.258 380 HD23 LEU 50 3HD2 LEU 50 3.194 -5.667 1.044 381 H GLY 51 H GLY 51 0.724 -9.098 -0.720 382 HA2 GLY 51 1HA GLY 51 -0.787 -9.395 1.627 383 HA3 GLY 51 2HA GLY 51 -1.417 -9.514 -0.009 384 H GLU 52 H GLU 52 0.226 -11.756 -0.780 385 HA GLU 52 HA GLU 52 -1.446 -13.854 0.172 386 HB2 GLU 52 1HB GLU 52 -0.410 -15.213 -1.405 387 HB3 GLU 52 2HB GLU 52 -0.257 -13.614 -2.118 388 HG2 GLU 52 1HG GLU 52 2.041 -13.487 -1.165 389 HG3 GLU 52 2HG GLU 52 1.866 -15.168 -0.664 390 H THR 53 H THR 53 1.643 -12.602 1.104 391 HA THR 53 HA THR 53 2.569 -14.906 2.504 392 HB THR 53 HB THR 53 3.364 -12.003 2.798 393 HG1 THR 53 1HG THR 53 4.931 -14.003 1.583 394 HG21 THR 53 1HG2 THR 53 4.679 -14.513 3.844 395 HG22 THR 53 2HG2 THR 53 3.948 -13.229 4.807 396 HG23 THR 53 3HG2 THR 53 5.404 -12.906 3.866 397 H TYR 54 H TYR 54 0.503 -12.218 3.305 398 HA TYR 54 HA TYR 54 0.195 -13.324 6.019 399 HB2 TYR 54 1HB TYR 54 -0.037 -10.408 5.253 400 HB3 TYR 54 2HB TYR 54 -0.188 -11.081 6.872 401 HD1 TYR 54 2HD TYR 54 2.200 -10.548 4.086 402 HD2 TYR 54 1HD TYR 54 1.714 -11.421 8.221 403 HE1 TYR 54 2HE TYR 54 4.618 -10.250 4.427 404 HE2 TYR 54 1HE TYR 54 4.130 -11.124 8.574 405 HH TYR 54 HH TYR 54 6.138 -10.957 7.518 406 H LYS 55 H LYS 55 -1.288 -13.919 3.573 407 HA LYS 55 HA LYS 55 -3.820 -12.586 3.724 408 HB2 LYS 55 1HB LYS 55 -4.477 -13.923 1.929 409 HB3 LYS 55 2HB LYS 55 -2.743 -13.759 1.689 410 HG2 LYS 55 1HG LYS 55 -2.686 -15.990 3.094 411 HG3 LYS 55 2HG LYS 55 -4.336 -16.135 2.484 412 HD2 LYS 55 1HD LYS 55 -1.864 -15.733 0.799 413 HD3 LYS 55 2HD LYS 55 -2.723 -17.260 1.019 414 HE2 LYS 55 1HE LYS 55 -4.271 -14.904 0.076 415 HE3 LYS 55 2HE LYS 55 -3.172 -15.681 -1.062 416 HZ1 LYS 55 1HZ LYS 55 -4.323 -17.705 -0.878 417 HZ2 LYS 55 2HZ LYS 55 -5.525 -16.527 -1.037 418 HZ3 LYS 55 3HZ LYS 55 -5.194 -17.198 0.480 419 H ASP 56 H ASP 56 -2.420 -15.478 5.088 420 HA ASP 56 HA ASP 56 -4.997 -16.084 6.383 421 HB2 ASP 56 1HB ASP 56 -4.187 -18.386 6.644 422 HB3 ASP 56 2HB ASP 56 -4.185 -17.903 4.950 423 H HIS 57 H HIS 57 -2.769 -14.192 7.155 424 HA HIS 57 HA HIS 57 -1.393 -15.234 9.383 425 HB2 HIS 57 1HB HIS 57 -1.241 -12.919 7.996 426 HB3 HIS 57 2HB HIS 57 -2.100 -12.359 9.428 427 HD1 HIS 57 1HD HIS 57 -0.801 -12.289 11.638 428 HD2 HIS 57 2HD HIS 57 1.415 -13.747 8.440 429 HE1 HIS 57 1HE HIS 57 1.582 -12.345 12.441 430 HE2 HIS 57 2HE HIS 57 2.915 -13.149 10.461 431 H GLU 58 H GLU 58 -1.786 -13.775 11.562 432 HA GLU 58 HA GLU 58 -4.495 -14.538 12.400 433 HB2 GLU 58 1HB GLU 58 -3.645 -14.607 14.657 434 HB3 GLU 58 2HB GLU 58 -2.579 -15.542 13.619 435 HG2 GLU 58 1HG GLU 58 -1.168 -13.405 13.480 436 HG3 GLU 58 2HG GLU 58 -2.104 -12.868 14.874 437 H ASN 59 H ASN 59 -2.121 -11.917 12.780 438 HA ASN 59 HA ASN 59 -4.363 -10.093 13.356 439 HB2 ASN 59 1HB ASN 59 -2.863 -8.743 14.682 440 HB3 ASN 59 2HB ASN 59 -2.759 -10.409 15.244 441 HD21 ASN 59 1HD2 ASN 59 -0.854 -11.463 15.143 442 HD22 ASN 59 2HD2 ASN 59 0.613 -10.764 14.558 443 H ILE 60 H ILE 60 -1.685 -10.797 11.325 444 HA ILE 60 HA ILE 60 -1.589 -8.132 10.168 445 HB ILE 60 HB ILE 60 -0.129 -10.627 9.295 446 HG12 ILE 60 1HG1 ILE 60 0.754 -8.371 11.107 447 HG13 ILE 60 2HG1 ILE 60 0.467 -10.039 11.588 448 HG21 ILE 60 1HG2 ILE 60 -0.481 -8.254 7.946 449 HG22 ILE 60 2HG2 ILE 60 1.082 -8.043 8.734 450 HG23 ILE 60 3HG2 ILE 60 0.811 -9.422 7.669 451 HD11 ILE 60 1HD1 ILE 60 2.434 -9.605 9.433 452 HD12 ILE 60 2HD1 ILE 60 2.887 -9.073 11.052 453 HD13 ILE 60 3HD1 ILE 60 2.442 -10.755 10.770 454 H VAL 61 H VAL 61 -3.169 -7.588 8.814 455 HA VAL 61 HA VAL 61 -3.993 -9.553 6.778 456 HB VAL 61 HB VAL 61 -5.674 -7.749 8.467 457 HG11 VAL 61 1HG1 VAL 61 -7.527 -8.188 6.756 458 HG12 VAL 61 2HG1 VAL 61 -6.346 -6.932 6.378 459 HG13 VAL 61 3HG1 VAL 61 -6.222 -8.519 5.618 460 HG21 VAL 61 1HG2 VAL 61 -5.365 -10.225 8.869 461 HG22 VAL 61 2HG2 VAL 61 -7.033 -9.669 8.734 462 HG23 VAL 61 3HG2 VAL 61 -6.264 -10.491 7.376 463 H ILE 62 H ILE 62 -3.111 -8.886 4.928 464 HA ILE 62 HA ILE 62 -2.626 -6.101 4.381 465 HB ILE 62 HB ILE 62 -2.301 -8.503 2.579 466 HG12 ILE 62 1HG1 ILE 62 -0.905 -8.525 4.652 467 HG13 ILE 62 2HG1 ILE 62 0.039 -8.440 3.168 468 HG21 ILE 62 1HG2 ILE 62 -1.393 -7.169 0.985 469 HG22 ILE 62 2HG2 ILE 62 -2.483 -5.990 1.713 470 HG23 ILE 62 3HG2 ILE 62 -0.776 -6.003 2.154 471 HD11 ILE 62 1HD1 ILE 62 1.014 -6.575 3.838 472 HD12 ILE 62 2HD1 ILE 62 -0.545 -5.801 4.127 473 HD13 ILE 62 3HD1 ILE 62 0.206 -6.771 5.394 474 H ALA 63 H ALA 63 -3.721 -4.768 3.025 475 HA ALA 63 HA ALA 63 -5.849 -5.813 1.343 476 HB1 ALA 63 1HB ALA 63 -6.714 -3.553 3.035 477 HB2 ALA 63 2HB ALA 63 -7.630 -4.929 2.418 478 HB3 ALA 63 3HB ALA 63 -6.588 -5.125 3.827 479 H LYS 64 H LYS 64 -6.603 -4.303 -0.227 480 HA LYS 64 HA LYS 64 -4.941 -1.890 -0.507 481 HB2 LYS 64 1HB LYS 64 -4.683 -2.282 -2.861 482 HB3 LYS 64 2HB LYS 64 -4.171 -3.733 -2.008 483 HG2 LYS 64 1HG LYS 64 -6.182 -4.872 -2.579 484 HG3 LYS 64 2HG LYS 64 -6.905 -3.393 -3.216 485 HD2 LYS 64 1HD LYS 64 -5.115 -3.331 -4.941 486 HD3 LYS 64 2HD LYS 64 -4.543 -4.892 -4.347 487 HE2 LYS 64 1HE LYS 64 -7.013 -5.627 -4.736 488 HE3 LYS 64 2HE LYS 64 -7.071 -4.219 -5.795 489 HZ1 LYS 64 1HZ LYS 64 -5.229 -6.536 -6.019 490 HZ2 LYS 64 2HZ LYS 64 -5.120 -5.141 -6.969 491 HZ3 LYS 64 3HZ LYS 64 -6.487 -6.133 -7.077 492 H MET 65 H MET 65 -5.922 -0.095 -1.423 493 HA MET 65 HA MET 65 -8.725 -0.316 -2.224 494 HB2 MET 65 1HB MET 65 -8.515 0.236 0.265 495 HB3 MET 65 2HB MET 65 -7.863 1.787 -0.246 496 HG2 MET 65 1HG MET 65 -9.890 2.391 -1.307 497 HG3 MET 65 2HG MET 65 -10.533 0.758 -1.153 498 HE1 MET 65 1HE MET 65 -11.309 4.150 1.571 499 HE2 MET 65 2HE MET 65 -10.088 4.186 0.299 500 HE3 MET 65 3HE MET 65 -11.767 3.820 -0.100 501 H ASP 66 H ASP 66 -9.423 1.295 -3.626 502 HA ASP 66 HA ASP 66 -7.269 2.803 -4.896 503 HB2 ASP 66 1HB ASP 66 -8.875 1.333 -6.207 504 HB3 ASP 66 2HB ASP 66 -10.116 2.534 -5.861 505 H SER 67 H SER 67 -6.919 4.673 -3.837 506 HA SER 67 HA SER 67 -8.852 6.190 -2.486 507 HB2 SER 67 1HB SER 67 -6.245 6.289 -2.389 508 HB3 SER 67 2HB SER 67 -6.415 7.462 -3.695 509 HG SER 67 HG SER 67 -7.650 7.624 -1.143 510 H THR 68 H THR 68 -7.954 6.054 -5.831 511 HA THR 68 HA THR 68 -9.228 8.549 -6.529 512 HB THR 68 HB THR 68 -8.485 8.218 -8.698 513 HG1 THR 68 1HG THR 68 -8.264 5.414 -8.254 514 HG21 THR 68 1HG2 THR 68 -6.512 6.399 -7.356 515 HG22 THR 68 2HG2 THR 68 -6.637 8.096 -6.892 516 HG23 THR 68 3HG2 THR 68 -6.225 7.663 -8.551 517 H ALA 69 H ALA 69 -10.129 5.227 -6.247 518 HA ALA 69 HA ALA 69 -12.614 5.674 -7.737 519 HB1 ALA 69 1HB ALA 69 -10.899 3.464 -7.501 520 HB2 ALA 69 2HB ALA 69 -12.394 3.021 -6.676 521 HB3 ALA 69 3HB ALA 69 -12.438 3.551 -8.358 522 H ASN 70 H ASN 70 -11.391 5.554 -4.558 523 HA ASN 70 HA ASN 70 -14.106 5.759 -3.498 524 HB2 ASN 70 1HB ASN 70 -12.020 3.929 -2.291 525 HB3 ASN 70 2HB ASN 70 -13.645 4.210 -1.672 526 HD21 ASN 70 1HD2 ASN 70 -11.718 2.610 -4.047 527 HD22 ASN 70 2HD2 ASN 70 -12.970 1.612 -4.697 528 H GLU 71 H GLU 71 -14.310 7.156 -1.806 529 HA GLU 71 HA GLU 71 -11.831 8.359 -0.762 530 HB2 GLU 71 1HB GLU 71 -13.307 9.721 -2.445 531 HB3 GLU 71 2HB GLU 71 -14.342 9.965 -1.046 532 HG2 GLU 71 1HG GLU 71 -11.412 10.592 -0.976 533 HG3 GLU 71 2HG GLU 71 -12.606 11.751 -1.558 534 H VAL 72 H VAL 72 -11.777 8.873 1.400 535 HA VAL 72 HA VAL 72 -14.174 8.451 3.013 536 HB VAL 72 HB VAL 72 -12.925 7.024 4.620 537 HG11 VAL 72 1HG1 VAL 72 -13.145 5.886 1.835 538 HG12 VAL 72 2HG1 VAL 72 -13.124 4.962 3.338 539 HG13 VAL 72 3HG1 VAL 72 -14.469 6.048 2.988 540 HG21 VAL 72 1HG2 VAL 72 -10.822 7.281 2.515 541 HG22 VAL 72 2HG2 VAL 72 -10.669 7.362 4.270 542 HG23 VAL 72 3HG2 VAL 72 -10.919 5.806 3.477 543 H GLU 73 H GLU 73 -14.156 9.511 4.995 544 HA GLU 73 HA GLU 73 -12.376 11.760 5.152 545 HB2 GLU 73 1HB GLU 73 -13.721 12.473 7.023 546 HB3 GLU 73 2HB GLU 73 -14.783 11.901 5.745 547 HG2 GLU 73 1HG GLU 73 -15.763 10.888 7.517 548 HG3 GLU 73 2HG GLU 73 -14.597 9.637 7.089 549 H ALA 74 H ALA 74 -12.606 8.631 6.628 550 HA ALA 74 HA ALA 74 -11.070 9.103 8.943 551 HB1 ALA 74 1HB ALA 74 -12.419 6.949 7.868 552 HB2 ALA 74 2HB ALA 74 -10.730 6.439 7.837 553 HB3 ALA 74 3HB ALA 74 -11.469 6.949 9.355 554 H VAL 75 H VAL 75 -10.206 8.897 5.638 555 HA VAL 75 HA VAL 75 -7.415 9.299 6.305 556 HB VAL 75 HB VAL 75 -8.372 6.866 4.825 557 HG11 VAL 75 1HG1 VAL 75 -6.015 8.509 4.250 558 HG12 VAL 75 2HG1 VAL 75 -5.668 6.798 4.505 559 HG13 VAL 75 3HG1 VAL 75 -6.819 7.290 3.262 560 HG21 VAL 75 1HG2 VAL 75 -6.730 7.451 7.230 561 HG22 VAL 75 2HG2 VAL 75 -7.943 6.199 6.966 562 HG23 VAL 75 3HG2 VAL 75 -6.327 6.020 6.282 563 H LYS 76 H LYS 76 -6.903 11.038 5.164 564 HA LYS 76 HA LYS 76 -8.129 11.432 2.525 565 HB2 LYS 76 1HB LYS 76 -6.879 13.328 4.503 566 HB3 LYS 76 2HB LYS 76 -7.183 13.798 2.836 567 HG2 LYS 76 1HG LYS 76 -9.364 12.695 4.569 568 HG3 LYS 76 2HG LYS 76 -8.930 14.406 4.599 569 HD2 LYS 76 1HD LYS 76 -9.639 14.757 2.426 570 HD3 LYS 76 2HD LYS 76 -9.463 13.057 1.985 571 HE2 LYS 76 1HE LYS 76 -11.779 13.419 2.104 572 HE3 LYS 76 2HE LYS 76 -11.367 12.605 3.612 573 HZ1 LYS 76 1HZ LYS 76 -11.135 15.378 3.981 574 HZ2 LYS 76 2HZ LYS 76 -12.203 14.303 4.731 575 HZ3 LYS 76 3HZ LYS 76 -12.643 15.060 3.285 576 H VAL 77 H VAL 77 -6.895 10.504 1.002 577 HA VAL 77 HA VAL 77 -3.980 10.775 1.160 578 HB VAL 77 HB VAL 77 -5.532 9.126 -0.831 579 HG11 VAL 77 1HG1 VAL 77 -2.684 8.932 0.143 580 HG12 VAL 77 2HG1 VAL 77 -3.441 7.922 -1.090 581 HG13 VAL 77 3HG1 VAL 77 -3.192 9.643 -1.388 582 HG21 VAL 77 1HG2 VAL 77 -5.895 8.621 1.696 583 HG22 VAL 77 2HG2 VAL 77 -5.542 7.299 0.583 584 HG23 VAL 77 3HG2 VAL 77 -4.265 7.953 1.608 585 H HIS 78 H HIS 78 -2.965 12.255 -0.012 586 HA HIS 78 HA HIS 78 -4.358 13.399 -2.342 587 HB2 HIS 78 1HB HIS 78 -2.152 14.797 -0.853 588 HB3 HIS 78 2HB HIS 78 -3.392 15.492 -1.893 589 HD1 HIS 78 1HD HIS 78 -2.553 15.138 1.555 590 HD2 HIS 78 2HD HIS 78 -6.098 15.143 -0.611 591 HE1 HIS 78 1HE HIS 78 -4.364 15.625 3.230 592 HE2 HIS 78 2HE HIS 78 -6.508 15.539 1.912 593 H SER 79 H SER 79 -1.719 11.557 -1.346 594 HA SER 79 HA SER 79 -0.414 11.953 -3.956 595 HB2 SER 79 1HB SER 79 1.763 11.443 -2.814 596 HB3 SER 79 2HB SER 79 1.031 12.968 -2.314 597 HG SER 79 HG SER 79 0.229 11.871 -0.464 598 H PHE 80 H PHE 80 1.009 10.053 -4.538 599 HA PHE 80 HA PHE 80 0.372 7.513 -3.355 600 HB2 PHE 80 1HB PHE 80 -0.466 7.831 -6.225 601 HB3 PHE 80 2HB PHE 80 -0.873 6.544 -5.096 602 HD1 PHE 80 1HD PHE 80 -2.547 6.927 -3.334 603 HD2 PHE 80 2HD PHE 80 -1.736 9.837 -6.332 604 HE1 PHE 80 1HE PHE 80 -4.658 8.069 -2.792 605 HE2 PHE 80 2HE PHE 80 -3.845 10.984 -5.794 606 HZ PHE 80 HZ PHE 80 -5.309 10.101 -4.021 607 HA PRO 81 HA PRO 81 0.443 5.331 -4.219 608 HB2 PRO 81 1HB PRO 81 2.203 3.543 -3.183 609 HB3 PRO 81 2HB PRO 81 1.734 3.551 -4.887 610 HG2 PRO 81 1HG PRO 81 4.187 4.677 -3.592 611 HG3 PRO 81 2HG PRO 81 4.040 3.757 -5.100 612 HD2 PRO 81 1HD PRO 81 4.295 6.452 -5.057 613 HD3 PRO 81 2HD PRO 81 3.365 5.600 -6.307 614 H THR 82 H THR 82 -0.392 5.162 -2.187 615 HA THR 82 HA THR 82 1.191 6.331 0.009 616 HB THR 82 HB THR 82 -1.719 6.661 -0.664 617 HG1 THR 82 1HG THR 82 -0.185 8.245 -1.356 618 HG21 THR 82 1HG2 THR 82 -0.413 7.025 2.031 619 HG22 THR 82 2HG2 THR 82 -1.782 5.987 1.631 620 HG23 THR 82 3HG2 THR 82 -1.962 7.740 1.587 621 H LEU 83 H LEU 83 1.614 4.981 1.620 622 HA LEU 83 HA LEU 83 -0.149 2.651 1.999 623 HB2 LEU 83 1HB LEU 83 2.763 2.879 2.738 624 HB3 LEU 83 2HB LEU 83 1.754 1.437 2.841 625 HG LEU 83 HG LEU 83 2.651 2.812 0.309 626 HD11 LEU 83 1HD1 LEU 83 4.523 1.669 0.890 627 HD12 LEU 83 2HD1 LEU 83 3.637 0.351 0.124 628 HD13 LEU 83 3HD1 LEU 83 3.642 0.505 1.880 629 HD21 LEU 83 1HD2 LEU 83 0.743 1.904 -0.479 630 HD22 LEU 83 2HD2 LEU 83 0.596 0.775 0.868 631 HD23 LEU 83 3HD2 LEU 83 1.692 0.418 -0.468 632 H LYS 84 H LYS 84 -1.080 2.358 3.932 633 HA LYS 84 HA LYS 84 -0.067 3.862 6.239 634 HB2 LYS 84 1HB LYS 84 -3.006 3.667 5.580 635 HB3 LYS 84 2HB LYS 84 -2.255 4.620 6.853 636 HG2 LYS 84 1HG LYS 84 -1.016 5.716 4.781 637 HG3 LYS 84 2HG LYS 84 -2.470 5.161 3.949 638 HD2 LYS 84 1HD LYS 84 -3.876 6.446 5.357 639 HD3 LYS 84 2HD LYS 84 -2.564 6.768 6.493 640 HE2 LYS 84 1HE LYS 84 -2.278 7.655 3.661 641 HE3 LYS 84 2HE LYS 84 -3.321 8.578 4.742 642 HZ1 LYS 84 1HZ LYS 84 -1.512 9.575 5.500 643 HZ2 LYS 84 2HZ LYS 84 -0.504 8.585 4.570 644 HZ3 LYS 84 3HZ LYS 84 -0.967 8.100 6.123 645 H PHE 85 H PHE 85 0.196 2.600 7.955 646 HA PHE 85 HA PHE 85 -0.963 -0.076 7.932 647 HB2 PHE 85 1HB PHE 85 1.375 -0.059 8.389 648 HB3 PHE 85 2HB PHE 85 1.200 1.216 9.592 649 HD1 PHE 85 2HD PHE 85 0.782 -2.352 8.905 650 HD2 PHE 85 1HD PHE 85 0.435 0.727 11.823 651 HE1 PHE 85 2HE PHE 85 0.593 -4.053 10.672 652 HE2 PHE 85 1HE PHE 85 0.246 -0.969 13.595 653 HZ PHE 85 HZ PHE 85 0.324 -3.363 13.021 654 H PHE 86 H PHE 86 -2.689 -0.605 9.089 655 HA PHE 86 HA PHE 86 -3.657 1.286 11.108 656 HB2 PHE 86 1HB PHE 86 -5.084 -1.005 9.740 657 HB3 PHE 86 2HB PHE 86 -5.816 0.115 10.884 658 HD1 PHE 86 1HD PHE 86 -3.778 2.266 9.377 659 HD2 PHE 86 2HD PHE 86 -7.098 -0.195 8.357 660 HE1 PHE 86 1HE PHE 86 -4.335 3.789 7.527 661 HE2 PHE 86 2HE PHE 86 -7.659 1.324 6.504 662 HZ PHE 86 HZ PHE 86 -6.276 3.318 6.087 663 HA PRO 87 HA PRO 87 -2.034 -1.740 14.031 664 HB2 PRO 87 1HB PRO 87 -2.269 -0.107 16.187 665 HB3 PRO 87 2HB PRO 87 -0.925 -0.002 15.044 666 HG2 PRO 87 1HG PRO 87 -3.408 1.662 15.205 667 HG3 PRO 87 2HG PRO 87 -1.735 2.174 14.917 668 HD2 PRO 87 1HD PRO 87 -3.540 1.905 12.917 669 HD3 PRO 87 2HD PRO 87 -1.808 1.594 12.688 670 H ALA 88 H ALA 88 -2.893 -2.632 16.093 671 HA ALA 88 HA ALA 88 -5.703 -3.151 15.844 672 HB1 ALA 88 1HB ALA 88 -5.319 -4.953 17.136 673 HB2 ALA 88 2HB ALA 88 -3.626 -4.607 16.777 674 HB3 ALA 88 3HB ALA 88 -4.339 -4.048 18.290 675 H SER 89 H SER 89 -5.856 -0.602 16.166 676 HA SER 89 HA SER 89 -6.435 -0.137 19.019 677 HB2 SER 89 1HB SER 89 -4.594 1.264 17.849 678 HB3 SER 89 2HB SER 89 -5.935 2.082 17.049 679 HG SER 89 HG SER 89 -6.631 2.057 19.526 680 H ALA 90 H ALA 90 -8.359 0.888 19.567 681 HA ALA 90 HA ALA 90 -10.453 0.677 17.542 682 HB1 ALA 90 1HB ALA 90 -11.589 1.419 19.996 683 HB2 ALA 90 2HB ALA 90 -11.596 -0.175 19.242 684 HB3 ALA 90 3HB ALA 90 -10.317 0.259 20.376 685 H ASP 91 H ASP 91 -8.434 2.923 17.778 686 HA ASP 91 HA ASP 91 -10.374 5.136 17.953 687 HB2 ASP 91 1HB ASP 91 -7.437 5.096 18.657 688 HB3 ASP 91 2HB ASP 91 -8.367 6.581 18.478 689 H ARG 92 H ARG 92 -10.108 3.710 15.605 690 HA ARG 92 HA ARG 92 -9.384 3.797 13.411 691 HB2 ARG 92 1HB ARG 92 -9.958 6.736 13.729 692 HB3 ARG 92 2HB ARG 92 -10.242 5.713 12.327 693 HG2 ARG 92 1HG ARG 92 -11.671 5.064 14.848 694 HG3 ARG 92 2HG ARG 92 -12.202 6.465 13.916 695 HD2 ARG 92 1HD ARG 92 -13.492 4.826 12.970 696 HD3 ARG 92 2HD ARG 92 -12.083 4.774 11.912 697 HE ARG 92 HE ARG 92 -11.552 2.698 12.756 698 HH11 ARG 92 2HH1 ARG 92 -14.069 4.150 14.672 699 HH12 ARG 92 1HH1 ARG 92 -14.417 2.699 15.551 700 HH21 ARG 92 2HH2 ARG 92 -12.001 0.780 13.906 701 HH22 ARG 92 1HH2 ARG 92 -13.240 0.782 15.115 702 H THR 93 H THR 93 -7.178 4.030 15.207 703 HA THR 93 HA THR 93 -5.468 6.177 14.500 704 HB THR 93 HB THR 93 -4.700 3.456 15.572 705 HG1 THR 93 1HG THR 93 -5.723 5.780 16.763 706 HG21 THR 93 1HG2 THR 93 -2.609 4.192 15.296 707 HG22 THR 93 2HG2 THR 93 -2.956 5.399 16.534 708 HG23 THR 93 3HG2 THR 93 -3.167 5.798 14.830 709 H VAL 94 H VAL 94 -3.817 6.312 13.019 710 HA VAL 94 HA VAL 94 -3.444 4.062 11.171 711 HB VAL 94 HB VAL 94 -4.152 6.886 10.409 712 HG11 VAL 94 1HG1 VAL 94 -3.658 6.051 8.035 713 HG12 VAL 94 2HG1 VAL 94 -2.290 6.523 9.044 714 HG13 VAL 94 3HG1 VAL 94 -2.674 4.816 8.819 715 HG21 VAL 94 1HG2 VAL 94 -5.421 5.037 8.760 716 HG22 VAL 94 2HG2 VAL 94 -5.475 4.317 10.369 717 HG23 VAL 94 3HG2 VAL 94 -6.140 5.928 10.102 718 H ILE 95 H ILE 95 -1.381 3.739 10.548 719 HA ILE 95 HA ILE 95 0.616 5.689 11.484 720 HB ILE 95 HB ILE 95 0.936 2.732 10.960 721 HG12 ILE 95 1HG1 ILE 95 0.995 4.302 13.546 722 HG13 ILE 95 2HG1 ILE 95 -0.331 3.278 13.009 723 HG21 ILE 95 1HG2 ILE 95 2.948 4.067 10.418 724 HG22 ILE 95 2HG2 ILE 95 2.947 4.683 12.069 725 HG23 ILE 95 3HG2 ILE 95 3.193 2.963 11.771 726 HD11 ILE 95 1HD1 ILE 95 1.924 2.559 14.525 727 HD12 ILE 95 2HD1 ILE 95 0.632 1.517 13.927 728 HD13 ILE 95 3HD1 ILE 95 2.083 1.768 12.957 729 H ASP 96 H ASP 96 2.113 6.509 10.109 730 HA ASP 96 HA ASP 96 1.646 6.110 7.272 731 HB2 ASP 96 1HB ASP 96 3.421 8.021 8.800 732 HB3 ASP 96 2HB ASP 96 3.343 7.962 7.041 733 H TYR 97 H TYR 97 2.897 4.969 5.929 734 HA TYR 97 HA TYR 97 5.212 3.591 7.060 735 HB2 TYR 97 1HB TYR 97 3.442 2.279 5.907 736 HB3 TYR 97 2HB TYR 97 3.816 3.133 4.415 737 HD1 TYR 97 1HD TYR 97 6.249 2.948 3.552 738 HD2 TYR 97 2HD TYR 97 4.563 0.306 6.429 739 HE1 TYR 97 1HE TYR 97 7.980 1.281 3.027 740 HE2 TYR 97 2HE TYR 97 6.289 -1.368 5.913 741 HH TYR 97 HH TYR 97 9.072 -0.712 4.333 742 H ASN 98 H ASN 98 7.098 4.592 6.841 743 HA ASN 98 HA ASN 98 7.735 5.810 4.238 744 HB2 ASN 98 1HB ASN 98 8.081 6.925 6.992 745 HB3 ASN 98 2HB ASN 98 9.262 7.340 5.753 746 HD21 ASN 98 1HD2 ASN 98 6.943 8.728 7.236 747 HD22 ASN 98 2HD2 ASN 98 6.119 9.567 5.970 748 H GLY 99 H GLY 99 8.556 3.510 4.022 749 HA2 GLY 99 1HA GLY 99 11.338 3.420 5.006 750 HA3 GLY 99 2HA GLY 99 10.321 1.987 5.013 751 H GLU 100 H GLU 100 11.723 0.843 3.663 752 HA GLU 100 HA GLU 100 12.694 1.790 1.197 753 HB2 GLU 100 1HB GLU 100 13.083 -0.622 0.683 754 HB3 GLU 100 2HB GLU 100 13.739 -0.107 2.231 755 HG2 GLU 100 1HG GLU 100 11.466 -0.977 3.163 756 HG3 GLU 100 2HG GLU 100 11.422 -1.888 1.654 757 H ARG 101 H ARG 101 9.662 0.353 2.131 758 HA ARG 101 HA ARG 101 7.691 0.096 1.023 759 HB2 ARG 101 1HB ARG 101 8.265 2.406 0.188 760 HB3 ARG 101 2HB ARG 101 8.954 1.645 -1.240 761 HG2 ARG 101 1HG ARG 101 6.838 0.801 -1.913 762 HG3 ARG 101 2HG ARG 101 6.101 1.257 -0.376 763 HD2 ARG 101 1HD ARG 101 5.591 2.788 -2.297 764 HD3 ARG 101 2HD ARG 101 6.287 3.572 -0.880 765 HE ARG 101 HE ARG 101 8.084 4.170 -2.154 766 HH11 ARG 101 2HH1 ARG 101 6.398 1.570 -3.743 767 HH12 ARG 101 1HH1 ARG 101 7.368 1.644 -5.177 768 HH21 ARG 101 2HH2 ARG 101 9.367 4.277 -4.037 769 HH22 ARG 101 1HH2 ARG 101 9.056 3.184 -5.343 770 H THR 102 H THR 102 9.522 -1.973 0.890 771 HA THR 102 HA THR 102 9.044 -3.040 -1.817 772 HB THR 102 HB THR 102 11.074 -4.420 -1.555 773 HG1 THR 102 1HG THR 102 12.525 -3.654 0.206 774 HG21 THR 102 1HG2 THR 102 10.978 -1.929 -2.439 775 HG22 THR 102 2HG2 THR 102 12.511 -2.787 -2.285 776 HG23 THR 102 3HG2 THR 102 12.013 -1.640 -1.041 777 H LEU 103 H LEU 103 9.045 -5.479 -1.855 778 HA LEU 103 HA LEU 103 7.009 -6.488 -0.261 779 HB2 LEU 103 1HB LEU 103 7.597 -7.493 -2.373 780 HB3 LEU 103 2HB LEU 103 9.184 -7.947 -1.753 781 HG LEU 103 HG LEU 103 8.017 -9.464 -0.133 782 HD11 LEU 103 1HD1 LEU 103 5.603 -9.710 -1.682 783 HD12 LEU 103 2HD1 LEU 103 5.750 -8.090 -1.000 784 HD13 LEU 103 3HD1 LEU 103 5.807 -9.501 0.058 785 HD21 LEU 103 1HD2 LEU 103 8.454 -9.776 -2.948 786 HD22 LEU 103 2HD2 LEU 103 7.073 -10.751 -2.446 787 HD23 LEU 103 3HD2 LEU 103 8.635 -10.959 -1.653 788 H ASP 104 H ASP 104 10.510 -7.079 0.014 789 HA ASP 104 HA ASP 104 10.285 -8.601 2.406 790 HB2 ASP 104 1HB ASP 104 12.544 -7.365 0.881 791 HB3 ASP 104 2HB ASP 104 12.832 -7.947 2.519 792 H GLY 105 H GLY 105 10.672 -5.199 1.700 793 HA2 GLY 105 1HA GLY 105 11.506 -4.370 4.279 794 HA3 GLY 105 2HA GLY 105 10.771 -3.346 3.055 795 H PHE 106 H PHE 106 8.311 -4.705 2.797 796 HA PHE 106 HA PHE 106 6.827 -3.493 4.843 797 HB2 PHE 106 1HB PHE 106 6.031 -5.696 2.928 798 HB3 PHE 106 2HB PHE 106 4.906 -4.783 3.929 799 HD1 PHE 106 2HD PHE 106 5.690 -2.062 3.702 800 HD2 PHE 106 1HD PHE 106 5.781 -5.107 0.729 801 HE1 PHE 106 2HE PHE 106 5.520 -0.348 1.945 802 HE2 PHE 106 1HE PHE 106 5.612 -3.398 -1.032 803 HZ PHE 106 HZ PHE 106 5.480 -1.014 -0.425 804 H LYS 107 H LYS 107 7.806 -6.863 4.366 805 HA LYS 107 HA LYS 107 6.420 -8.061 6.439 806 HB2 LYS 107 1HB LYS 107 9.232 -8.727 5.550 807 HB3 LYS 107 2HB LYS 107 8.129 -9.800 6.401 808 HG2 LYS 107 1HG LYS 107 6.595 -9.275 4.307 809 HG3 LYS 107 2HG LYS 107 8.163 -8.976 3.555 810 HD2 LYS 107 1HD LYS 107 8.829 -11.252 4.584 811 HD3 LYS 107 2HD LYS 107 7.090 -11.508 4.749 812 HE2 LYS 107 1HE LYS 107 6.941 -10.912 2.274 813 HE3 LYS 107 2HE LYS 107 8.694 -11.097 2.239 814 HZ1 LYS 107 1HZ LYS 107 6.753 -13.091 2.060 815 HZ2 LYS 107 2HZ LYS 107 7.570 -13.327 3.522 816 HZ3 LYS 107 3HZ LYS 107 8.435 -13.275 2.069 817 H LYS 108 H LYS 108 9.576 -6.446 6.530 818 HA LYS 108 HA LYS 108 10.162 -6.969 9.227 819 HB2 LYS 108 1HB LYS 108 11.030 -4.432 7.884 820 HB3 LYS 108 2HB LYS 108 11.922 -5.455 9.004 821 HG2 LYS 108 1HG LYS 108 11.787 -7.207 7.086 822 HG3 LYS 108 2HG LYS 108 11.473 -5.795 6.075 823 HD2 LYS 108 1HD LYS 108 13.749 -5.847 5.935 824 HD3 LYS 108 2HD LYS 108 13.579 -4.855 7.386 825 HE2 LYS 108 1HE LYS 108 15.160 -6.428 8.020 826 HE3 LYS 108 2HE LYS 108 13.661 -7.108 8.649 827 HZ1 LYS 108 1HZ LYS 108 15.384 -8.074 6.524 828 HZ2 LYS 108 2HZ LYS 108 13.724 -8.200 6.224 829 HZ3 LYS 108 3HZ LYS 108 14.394 -8.935 7.593 830 H PHE 109 H PHE 109 8.405 -4.325 7.676 831 HA PHE 109 HA PHE 109 8.084 -2.744 9.998 832 HB2 PHE 109 1HB PHE 109 7.778 -1.877 7.701 833 HB3 PHE 109 2HB PHE 109 6.328 -2.863 7.537 834 HD1 PHE 109 1HD PHE 109 4.293 -2.293 8.736 835 HD2 PHE 109 2HD PHE 109 7.781 0.128 9.024 836 HE1 PHE 109 1HE PHE 109 2.944 -0.470 9.689 837 HE2 PHE 109 2HE PHE 109 6.438 1.955 9.979 838 HZ PHE 109 HZ PHE 109 4.016 1.657 10.314 839 H LEU 110 H LEU 110 6.050 -5.216 8.483 840 HA LEU 110 HA LEU 110 3.909 -4.958 10.342 841 HB2 LEU 110 1HB LEU 110 4.662 -7.197 8.471 842 HB3 LEU 110 2HB LEU 110 3.166 -7.137 9.401 843 HG LEU 110 HG LEU 110 3.856 -4.936 7.489 844 HD11 LEU 110 1HD1 LEU 110 4.081 -6.889 6.135 845 HD12 LEU 110 2HD1 LEU 110 2.510 -6.168 5.790 846 HD13 LEU 110 3HD1 LEU 110 2.617 -7.597 6.817 847 HD21 LEU 110 1HD2 LEU 110 1.199 -5.290 7.367 848 HD22 LEU 110 2HD2 LEU 110 1.984 -4.244 8.551 849 HD23 LEU 110 3HD2 LEU 110 1.501 -5.880 9.001 850 H GLU 111 H GLU 111 6.286 -7.586 9.895 851 HA GLU 111 HA GLU 111 5.750 -9.152 12.037 852 HB2 GLU 111 1HB GLU 111 8.400 -8.361 10.851 853 HB3 GLU 111 2HB GLU 111 8.295 -9.520 12.168 854 HG2 GLU 111 1HG GLU 111 6.587 -10.718 10.615 855 HG3 GLU 111 2HG GLU 111 7.363 -9.770 9.348 856 H SER 112 H SER 112 7.481 -6.083 12.090 857 HA SER 112 HA SER 112 8.271 -6.210 14.810 858 HB2 SER 112 1HB SER 112 7.899 -3.838 12.966 859 HB3 SER 112 2HB SER 112 8.639 -3.750 14.565 860 HG SER 112 HG SER 112 9.921 -4.177 12.418 861 H GLY 113 H GLY 113 5.467 -4.817 13.160 862 HA2 GLY 113 1HA GLY 113 3.327 -4.974 14.356 863 HA3 GLY 113 2HA GLY 113 4.196 -4.505 15.810 864 H GLY 114 H GLY 114 4.569 -3.075 12.603 865 HA2 GLY 114 1HA GLY 114 4.073 -0.972 11.812 866 HA3 GLY 114 2HA GLY 114 2.876 -0.842 13.092 867 H GLN 115 H GLN 115 6.374 -1.322 13.376 868 HA GLN 115 HA GLN 115 6.498 0.954 15.185 869 HB2 GLN 115 1HB GLN 115 8.349 -1.306 14.512 870 HB3 GLN 115 2HB GLN 115 8.968 0.124 15.327 871 HG2 GLN 115 1HG GLN 115 6.565 -1.250 16.424 872 HG3 GLN 115 2HG GLN 115 8.162 -1.948 16.690 873 HE21 GLN 115 1HE2 GLN 115 6.090 0.788 17.296 874 HE22 GLN 115 2HE2 GLN 115 7.007 1.444 18.605 875 H SER 116 H SER 116 7.061 2.911 14.529 876 HA SER 116 HA SER 116 8.548 3.174 12.002 877 HB2 SER 116 1HB SER 116 7.577 5.435 11.847 878 HB3 SER 116 2HB SER 116 6.321 4.202 11.959 879 HG SER 116 HG SER 116 5.940 5.999 13.349 880 H GLY 117 H GLY 117 10.026 5.050 11.858 881 HA2 GLY 117 1HA GLY 117 11.345 5.530 14.460 882 HA3 GLY 117 2HA GLY 117 12.224 5.321 12.953 883 HA PRO 118 HA PRO 118 10.696 9.836 13.788 884 HB2 PRO 118 1HB PRO 118 12.542 10.782 15.540 885 HB3 PRO 118 2HB PRO 118 11.004 10.075 16.052 886 HG2 PRO 118 1HG PRO 118 13.722 8.824 15.947 887 HG3 PRO 118 2HG PRO 118 12.485 8.708 17.212 888 HD2 PRO 118 1HD PRO 118 12.881 6.755 15.378 889 HD3 PRO 118 2HD PRO 118 11.283 7.109 16.066 890 H SER 119 H SER 119 11.939 11.811 13.219 891 HA SER 119 HA SER 119 14.138 11.110 11.410 892 HB2 SER 119 1HB SER 119 12.228 12.262 10.391 893 HB3 SER 119 2HB SER 119 12.417 13.600 11.523 894 HG SER 119 HG SER 119 13.441 13.626 9.258 895 H SER 120 H SER 120 16.070 12.293 11.371 896 HA SER 120 HA SER 120 16.613 13.817 13.835 897 HB2 SER 120 1HB SER 120 18.979 13.050 13.582 898 HB3 SER 120 2HB SER 120 17.842 11.731 13.858 899 HG SER 120 HG SER 120 17.834 11.498 11.505 900 H GLY 121 H GLY 121 18.316 15.466 13.653 901 HA2 GLY 121 1HA GLY 121 18.659 16.521 10.929 902 HA3 GLY 121 2HA GLY 121 17.975 17.561 12.170 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -18.662 -21.407 9.693 2 HA2 GLY 1 1HA GLY 1 -20.566 -19.817 8.164 3 HA3 GLY 1 2HA GLY 1 -20.069 -19.536 9.827 4 H SER 2 H SER 2 -18.635 -19.551 6.561 5 HA SER 2 HA SER 2 -17.602 -16.875 7.011 6 HB2 SER 2 1HB SER 2 -15.817 -18.284 7.927 7 HB3 SER 2 2HB SER 2 -15.757 -19.204 6.423 8 HG SER 2 HG SER 2 -15.439 -16.853 5.568 9 H SER 3 H SER 3 -17.533 -15.711 5.176 10 HA SER 3 HA SER 3 -18.786 -16.595 2.854 11 HB2 SER 3 1HB SER 3 -18.405 -14.194 3.582 12 HB3 SER 3 2HB SER 3 -16.766 -14.349 2.950 13 HG SER 3 HG SER 3 -18.606 -15.212 1.159 14 H GLY 4 H GLY 4 -15.338 -16.387 3.634 15 HA2 GLY 4 1HA GLY 4 -13.789 -18.015 2.804 16 HA3 GLY 4 2HA GLY 4 -14.815 -18.217 1.392 17 H SER 5 H SER 5 -12.222 -16.454 2.812 18 HA SER 5 HA SER 5 -12.133 -14.315 0.938 19 HB2 SER 5 1HB SER 5 -10.298 -15.404 3.026 20 HB3 SER 5 2HB SER 5 -9.620 -14.331 1.801 21 HG SER 5 HG SER 5 -10.306 -12.947 3.307 22 H SER 6 H SER 6 -11.773 -14.569 -1.158 23 HA SER 6 HA SER 6 -9.888 -16.663 -2.022 24 HB2 SER 6 1HB SER 6 -12.332 -15.509 -3.360 25 HB3 SER 6 2HB SER 6 -11.114 -16.409 -4.263 26 HG SER 6 HG SER 6 -13.116 -17.404 -2.922 27 H GLY 7 H GLY 7 -8.073 -15.283 -1.756 28 HA2 GLY 7 1HA GLY 7 -7.048 -14.080 -3.965 29 HA3 GLY 7 2HA GLY 7 -7.936 -12.781 -3.182 30 HA PRO 8 HA PRO 8 -3.599 -13.590 -1.303 31 HB2 PRO 8 1HB PRO 8 -2.147 -11.749 -2.671 32 HB3 PRO 8 2HB PRO 8 -2.313 -13.427 -3.201 33 HG2 PRO 8 1HG PRO 8 -3.776 -10.991 -4.141 34 HG3 PRO 8 2HG PRO 8 -3.099 -12.326 -5.092 35 HD2 PRO 8 1HD PRO 8 -5.734 -12.153 -4.493 36 HD3 PRO 8 2HD PRO 8 -4.894 -13.708 -4.662 37 H VAL 9 H VAL 9 -4.744 -10.453 -2.568 38 HA VAL 9 HA VAL 9 -4.397 -9.342 0.141 39 HB VAL 9 HB VAL 9 -2.816 -8.166 -1.082 40 HG11 VAL 9 1HG1 VAL 9 -4.725 -7.845 -3.390 41 HG12 VAL 9 2HG1 VAL 9 -2.999 -7.475 -3.354 42 HG13 VAL 9 3HG1 VAL 9 -3.545 -9.151 -3.273 43 HG21 VAL 9 1HG2 VAL 9 -3.505 -6.050 -0.763 44 HG22 VAL 9 2HG2 VAL 9 -4.904 -6.236 -1.820 45 HG23 VAL 9 3HG2 VAL 9 -4.975 -6.809 -0.154 46 H LYS 10 H LYS 10 -6.154 -8.524 1.080 47 HA LYS 10 HA LYS 10 -8.707 -8.743 -0.102 48 HB2 LYS 10 1HB LYS 10 -7.680 -8.283 2.466 49 HB3 LYS 10 2HB LYS 10 -8.662 -6.870 2.102 50 HG2 LYS 10 1HG LYS 10 -9.701 -9.655 1.709 51 HG3 LYS 10 2HG LYS 10 -9.793 -8.833 3.268 52 HD2 LYS 10 1HD LYS 10 -10.957 -7.836 0.667 53 HD3 LYS 10 2HD LYS 10 -11.864 -8.560 1.997 54 HE2 LYS 10 1HE LYS 10 -12.169 -6.356 2.493 55 HE3 LYS 10 2HE LYS 10 -10.669 -6.644 3.374 56 HZ1 LYS 10 1HZ LYS 10 -9.608 -5.192 2.100 57 HZ2 LYS 10 2HZ LYS 10 -11.099 -4.741 1.444 58 HZ3 LYS 10 3HZ LYS 10 -10.157 -5.916 0.673 59 H VAL 11 H VAL 11 -10.111 -7.216 -0.916 60 HA VAL 11 HA VAL 11 -8.868 -4.665 -1.697 61 HB VAL 11 HB VAL 11 -11.152 -6.185 -2.959 62 HG11 VAL 11 1HG1 VAL 11 -10.396 -4.162 -4.689 63 HG12 VAL 11 2HG1 VAL 11 -11.861 -4.206 -3.706 64 HG13 VAL 11 3HG1 VAL 11 -10.421 -3.381 -3.108 65 HG21 VAL 11 1HG2 VAL 11 -8.281 -5.735 -3.680 66 HG22 VAL 11 2HG2 VAL 11 -9.199 -7.240 -3.647 67 HG23 VAL 11 3HG2 VAL 11 -9.481 -6.063 -4.930 68 H LEU 12 H LEU 12 -9.412 -3.122 -0.284 69 HA LEU 12 HA LEU 12 -11.992 -3.120 1.025 70 HB2 LEU 12 1HB LEU 12 -9.875 -0.988 1.156 71 HB3 LEU 12 2HB LEU 12 -11.172 -1.295 2.309 72 HG LEU 12 HG LEU 12 -9.096 -3.393 1.855 73 HD11 LEU 12 1HD1 LEU 12 -7.535 -1.814 2.310 74 HD12 LEU 12 2HD1 LEU 12 -8.043 -2.155 3.963 75 HD13 LEU 12 3HD1 LEU 12 -8.684 -0.747 3.118 76 HD21 LEU 12 1HD2 LEU 12 -10.048 -2.746 4.544 77 HD22 LEU 12 2HD2 LEU 12 -9.946 -4.301 3.716 78 HD23 LEU 12 3HD2 LEU 12 -11.323 -3.237 3.428 79 H VAL 13 H VAL 13 -13.544 -1.466 0.870 80 HA VAL 13 HA VAL 13 -13.319 0.247 -1.517 81 HB VAL 13 HB VAL 13 -15.805 -0.031 -1.791 82 HG11 VAL 13 1HG1 VAL 13 -14.112 -1.191 -3.189 83 HG12 VAL 13 2HG1 VAL 13 -14.213 -2.574 -2.098 84 HG13 VAL 13 3HG1 VAL 13 -15.626 -2.082 -3.032 85 HG21 VAL 13 1HG2 VAL 13 -15.424 -1.608 0.592 86 HG22 VAL 13 2HG2 VAL 13 -16.921 -1.054 -0.159 87 HG23 VAL 13 3HG2 VAL 13 -16.178 -2.566 -0.683 88 H GLY 14 H GLY 14 -14.805 2.128 -1.475 89 HA2 GLY 14 1HA GLY 14 -14.536 3.549 0.968 90 HA3 GLY 14 2HA GLY 14 -15.418 4.093 -0.452 91 H LYS 15 H LYS 15 -16.671 1.158 0.236 92 HA LYS 15 HA LYS 15 -18.953 2.355 1.606 93 HB2 LYS 15 1HB LYS 15 -19.226 0.963 -0.478 94 HB3 LYS 15 2HB LYS 15 -18.717 -0.432 0.465 95 HG2 LYS 15 1HG LYS 15 -20.988 -0.630 0.600 96 HG3 LYS 15 2HG LYS 15 -20.660 0.317 2.053 97 HD2 LYS 15 1HD LYS 15 -21.334 1.605 -0.578 98 HD3 LYS 15 2HD LYS 15 -22.579 1.094 0.563 99 HE2 LYS 15 1HE LYS 15 -21.105 2.466 2.261 100 HE3 LYS 15 2HE LYS 15 -20.561 3.274 0.792 101 HZ1 LYS 15 1HZ LYS 15 -22.757 3.948 0.299 102 HZ2 LYS 15 2HZ LYS 15 -22.506 4.320 1.930 103 HZ3 LYS 15 3HZ LYS 15 -23.422 2.963 1.503 104 H ASN 16 H ASN 16 -16.724 -0.385 1.950 105 HA ASN 16 HA ASN 16 -17.386 -0.444 4.818 106 HB2 ASN 16 1HB ASN 16 -17.129 -2.882 4.808 107 HB3 ASN 16 2HB ASN 16 -18.408 -2.383 3.704 108 HD21 ASN 16 1HD2 ASN 16 -15.000 -3.283 3.839 109 HD22 ASN 16 2HD2 ASN 16 -14.937 -3.980 2.259 110 H PHE 17 H PHE 17 -15.230 0.901 3.353 111 HA PHE 17 HA PHE 17 -12.794 -0.433 3.473 112 HB2 PHE 17 1HB PHE 17 -12.582 1.587 2.401 113 HB3 PHE 17 2HB PHE 17 -13.629 2.424 3.542 114 HD1 PHE 17 2HD PHE 17 -10.332 0.671 3.545 115 HD2 PHE 17 1HD PHE 17 -12.640 3.983 4.892 116 HE1 PHE 17 2HE PHE 17 -8.352 1.583 4.684 117 HE2 PHE 17 1HE PHE 17 -10.663 4.901 6.034 118 HZ PHE 17 HZ PHE 17 -8.516 3.700 5.932 119 H GLU 18 H GLU 18 -14.063 1.851 5.906 120 HA GLU 18 HA GLU 18 -12.124 1.229 7.854 121 HB2 GLU 18 1HB GLU 18 -14.881 2.429 8.161 122 HB3 GLU 18 2HB GLU 18 -13.671 2.375 9.435 123 HG2 GLU 18 1HG GLU 18 -12.377 3.987 8.471 124 HG3 GLU 18 2HG GLU 18 -12.928 3.611 6.839 125 H ASP 19 H ASP 19 -15.260 -0.138 7.107 126 HA ASP 19 HA ASP 19 -15.773 -1.569 9.429 127 HB2 ASP 19 1HB ASP 19 -16.499 -1.928 6.556 128 HB3 ASP 19 2HB ASP 19 -16.825 -3.252 7.671 129 H VAL 20 H VAL 20 -13.766 -2.440 6.650 130 HA VAL 20 HA VAL 20 -12.965 -4.921 7.979 131 HB VAL 20 HB VAL 20 -12.300 -3.914 5.209 132 HG11 VAL 20 1HG1 VAL 20 -11.042 -5.889 6.765 133 HG12 VAL 20 2HG1 VAL 20 -12.011 -6.741 5.561 134 HG13 VAL 20 3HG1 VAL 20 -10.811 -5.553 5.049 135 HG21 VAL 20 1HG2 VAL 20 -13.850 -5.732 4.491 136 HG22 VAL 20 2HG2 VAL 20 -14.321 -5.930 6.179 137 HG23 VAL 20 3HG2 VAL 20 -14.640 -4.408 5.347 138 H ALA 21 H ALA 21 -11.378 -2.186 6.324 139 HA ALA 21 HA ALA 21 -8.768 -2.686 7.007 140 HB1 ALA 21 1HB ALA 21 -9.767 0.125 7.117 141 HB2 ALA 21 2HB ALA 21 -8.290 -0.516 6.396 142 HB3 ALA 21 3HB ALA 21 -9.843 -0.772 5.601 143 H PHE 22 H PHE 22 -10.961 -0.539 8.833 144 HA PHE 22 HA PHE 22 -9.170 -0.508 11.091 145 HB2 PHE 22 1HB PHE 22 -11.794 0.780 10.441 146 HB3 PHE 22 2HB PHE 22 -11.244 0.737 12.113 147 HD1 PHE 22 2HD PHE 22 -8.857 1.632 12.557 148 HD2 PHE 22 1HD PHE 22 -11.103 2.482 9.043 149 HE1 PHE 22 2HE PHE 22 -7.459 3.614 12.147 150 HE2 PHE 22 1HE PHE 22 -9.708 4.465 8.627 151 HZ PHE 22 HZ PHE 22 -7.883 5.034 10.180 152 H ASP 23 H ASP 23 -9.116 -2.743 11.627 153 HA ASP 23 HA ASP 23 -11.554 -3.690 12.988 154 HB2 ASP 23 1HB ASP 23 -10.814 -4.980 10.918 155 HB3 ASP 23 2HB ASP 23 -9.409 -5.483 11.854 156 H GLU 24 H GLU 24 -11.395 -4.105 15.099 157 HA GLU 24 HA GLU 24 -9.022 -3.487 16.522 158 HB2 GLU 24 1HB GLU 24 -11.063 -3.065 17.639 159 HB3 GLU 24 2HB GLU 24 -11.661 -4.689 17.329 160 HG2 GLU 24 1HG GLU 24 -11.106 -4.683 19.591 161 HG3 GLU 24 2HG GLU 24 -9.757 -5.500 18.804 162 H LYS 25 H LYS 25 -7.698 -4.845 17.782 163 HA LYS 25 HA LYS 25 -6.368 -6.660 18.120 164 HB2 LYS 25 1HB LYS 25 -9.125 -7.781 18.004 165 HB3 LYS 25 2HB LYS 25 -7.782 -8.916 17.969 166 HG2 LYS 25 1HG LYS 25 -7.993 -6.792 20.074 167 HG3 LYS 25 2HG LYS 25 -8.803 -8.352 20.234 168 HD2 LYS 25 1HD LYS 25 -5.907 -8.306 19.535 169 HD3 LYS 25 2HD LYS 25 -6.383 -7.965 21.200 170 HE2 LYS 25 1HE LYS 25 -7.008 -10.440 19.596 171 HE3 LYS 25 2HE LYS 25 -5.921 -10.317 20.978 172 HZ1 LYS 25 1HZ LYS 25 -7.675 -10.910 22.185 173 HZ2 LYS 25 2HZ LYS 25 -8.767 -10.631 20.924 174 HZ3 LYS 25 3HZ LYS 25 -8.282 -9.353 21.922 175 H LYS 26 H LYS 26 -6.646 -5.635 15.410 176 HA LYS 26 HA LYS 26 -5.446 -7.875 14.027 177 HB2 LYS 26 1HB LYS 26 -7.653 -8.356 13.359 178 HB3 LYS 26 2HB LYS 26 -8.057 -6.655 13.167 179 HG2 LYS 26 1HG LYS 26 -7.866 -7.361 10.986 180 HG3 LYS 26 2HG LYS 26 -6.260 -6.698 11.299 181 HD2 LYS 26 1HD LYS 26 -5.849 -8.746 10.238 182 HD3 LYS 26 2HD LYS 26 -5.604 -9.085 11.953 183 HE2 LYS 26 1HE LYS 26 -7.867 -10.005 12.092 184 HE3 LYS 26 2HE LYS 26 -8.114 -9.660 10.381 185 HZ1 LYS 26 1HZ LYS 26 -5.770 -11.246 11.010 186 HZ2 LYS 26 2HZ LYS 26 -6.897 -11.426 9.761 187 HZ3 LYS 26 3HZ LYS 26 -7.254 -12.002 11.311 188 H ASN 27 H ASN 27 -3.706 -7.121 13.028 189 HA ASN 27 HA ASN 27 -3.459 -4.265 12.530 190 HB2 ASN 27 1HB ASN 27 -1.386 -6.426 12.110 191 HB3 ASN 27 2HB ASN 27 -1.108 -4.690 12.202 192 HD21 ASN 27 1HD2 ASN 27 -1.613 -7.599 13.956 193 HD22 ASN 27 2HD2 ASN 27 -1.370 -6.946 15.537 194 H VAL 28 H VAL 28 -4.596 -3.761 10.716 195 HA VAL 28 HA VAL 28 -4.133 -5.330 8.284 196 HB VAL 28 HB VAL 28 -6.159 -3.163 8.857 197 HG11 VAL 28 1HG1 VAL 28 -5.397 -4.594 6.365 198 HG12 VAL 28 2HG1 VAL 28 -7.105 -4.248 6.642 199 HG13 VAL 28 3HG1 VAL 28 -5.934 -2.930 6.595 200 HG21 VAL 28 1HG2 VAL 28 -7.504 -5.476 8.237 201 HG22 VAL 28 2HG2 VAL 28 -6.142 -6.060 9.193 202 HG23 VAL 28 3HG2 VAL 28 -7.234 -4.848 9.863 203 H PHE 29 H PHE 29 -2.936 -4.597 6.641 204 HA PHE 29 HA PHE 29 -1.922 -1.840 6.811 205 HB2 PHE 29 1HB PHE 29 -0.206 -3.609 6.981 206 HB3 PHE 29 2HB PHE 29 -0.703 -4.229 5.410 207 HD1 PHE 29 1HD PHE 29 -0.735 -0.645 5.875 208 HD2 PHE 29 2HD PHE 29 1.640 -3.965 4.670 209 HE1 PHE 29 1HE PHE 29 0.844 0.888 4.773 210 HE2 PHE 29 2HE PHE 29 3.223 -2.438 3.567 211 HZ PHE 29 HZ PHE 29 2.826 -0.008 3.618 212 H VAL 30 H VAL 30 -3.323 -0.663 5.609 213 HA VAL 30 HA VAL 30 -4.307 -1.631 3.068 214 HB VAL 30 HB VAL 30 -4.640 1.125 4.254 215 HG11 VAL 30 1HG1 VAL 30 -6.848 0.752 2.829 216 HG12 VAL 30 2HG1 VAL 30 -5.367 1.391 2.112 217 HG13 VAL 30 3HG1 VAL 30 -5.776 -0.314 1.921 218 HG21 VAL 30 1HG2 VAL 30 -5.558 -0.237 5.898 219 HG22 VAL 30 2HG2 VAL 30 -6.945 0.137 4.875 220 HG23 VAL 30 3HG2 VAL 30 -6.139 -1.424 4.730 221 H GLU 31 H GLU 31 -3.993 -0.541 1.056 222 HA GLU 31 HA GLU 31 -1.611 1.170 0.913 223 HB2 GLU 31 1HB GLU 31 -0.670 -0.878 0.292 224 HB3 GLU 31 2HB GLU 31 -2.118 -1.393 -0.562 225 HG2 GLU 31 1HG GLU 31 -1.642 0.436 -2.228 226 HG3 GLU 31 2HG GLU 31 -0.076 0.624 -1.441 227 H PHE 32 H PHE 32 -2.572 3.033 0.320 228 HA PHE 32 HA PHE 32 -4.742 3.105 -1.565 229 HB2 PHE 32 1HB PHE 32 -3.112 5.340 -0.340 230 HB3 PHE 32 2HB PHE 32 -4.564 5.564 -1.309 231 HD1 PHE 32 1HD PHE 32 -6.750 5.002 -0.426 232 HD2 PHE 32 2HD PHE 32 -3.233 4.526 1.923 233 HE1 PHE 32 1HE PHE 32 -8.134 4.800 1.599 234 HE2 PHE 32 2HE PHE 32 -4.611 4.322 3.951 235 HZ PHE 32 HZ PHE 32 -7.065 4.458 3.791 236 H TYR 33 H TYR 33 -4.140 2.446 -3.569 237 HA TYR 33 HA TYR 33 -1.798 3.722 -4.800 238 HB2 TYR 33 1HB TYR 33 -1.835 1.926 -6.425 239 HB3 TYR 33 2HB TYR 33 -1.885 1.238 -4.806 240 HD1 TYR 33 2HD TYR 33 -4.045 2.137 -7.696 241 HD2 TYR 33 1HD TYR 33 -3.591 -0.246 -4.201 242 HE1 TYR 33 2HE TYR 33 -6.065 0.872 -8.303 243 HE2 TYR 33 1HE TYR 33 -5.609 -1.518 -4.799 244 HH TYR 33 HH TYR 33 -7.850 -0.730 -6.481 245 H ALA 34 H ALA 34 -2.108 3.983 -7.281 246 HA ALA 34 HA ALA 34 -4.760 5.149 -7.812 247 HB1 ALA 34 1HB ALA 34 -3.931 7.164 -8.335 248 HB2 ALA 34 2HB ALA 34 -2.527 6.654 -7.398 249 HB3 ALA 34 3HB ALA 34 -2.525 6.482 -9.153 250 HA PRO 35 HA PRO 35 -4.619 2.582 -11.407 251 HB2 PRO 35 1HB PRO 35 -6.691 3.717 -12.743 252 HB3 PRO 35 2HB PRO 35 -6.914 2.654 -11.349 253 HG2 PRO 35 1HG PRO 35 -6.955 5.644 -11.476 254 HG3 PRO 35 2HG PRO 35 -8.037 4.547 -10.599 255 HD2 PRO 35 1HD PRO 35 -6.006 5.867 -9.388 256 HD3 PRO 35 2HD PRO 35 -6.544 4.258 -8.866 257 H TRP 36 H TRP 36 -3.861 5.863 -11.301 258 HA TRP 36 HA TRP 36 -3.001 5.815 -14.120 259 HB2 TRP 36 1HB TRP 36 -3.097 8.439 -13.716 260 HB3 TRP 36 2HB TRP 36 -4.521 7.530 -14.216 261 HD1 TRP 36 HD TRP 36 -6.534 7.389 -12.531 262 HE1 TRP 36 1HE TRP 36 -7.044 8.541 -10.287 263 HE3 TRP 36 3HE TRP 36 -1.906 9.324 -11.541 264 HZ2 TRP 36 2HZ TRP 36 -5.668 10.069 -8.353 265 HZ3 TRP 36 3HZ TRP 36 -1.587 10.618 -9.473 266 HH2 TRP 36 HH TRP 36 -3.430 10.982 -7.914 267 H CYS 37 H CYS 37 -2.044 5.929 -10.905 268 HA CYS 37 HA CYS 37 0.302 7.544 -11.195 269 HB2 CYS 37 1HB CYS 37 -0.622 7.374 -9.004 270 HB3 CYS 37 2HB CYS 37 -0.620 5.616 -9.065 271 HG CYS 37 HG CYS 37 2.432 6.878 -9.440 272 H GLY 38 H GLY 38 2.006 6.959 -12.361 273 HA2 GLY 38 1HA GLY 38 2.502 4.459 -13.440 274 HA3 GLY 38 2HA GLY 38 3.729 5.694 -13.201 275 H HIS 39 H HIS 39 3.730 5.816 -10.405 276 HA HIS 39 HA HIS 39 5.522 3.786 -9.749 277 HB2 HIS 39 1HB HIS 39 4.020 5.848 -8.217 278 HB3 HIS 39 2HB HIS 39 4.746 4.529 -7.302 279 HD1 HIS 39 1HD HIS 39 7.341 4.398 -7.268 280 HD2 HIS 39 2HD HIS 39 5.813 7.692 -9.289 281 HE1 HIS 39 1HE HIS 39 9.291 5.954 -7.590 282 HE2 HIS 39 2HE HIS 39 8.325 7.976 -8.739 283 H CYS 40 H CYS 40 2.046 4.038 -9.180 284 HA CYS 40 HA CYS 40 1.712 1.840 -7.503 285 HB2 CYS 40 1HB CYS 40 -0.208 3.106 -7.670 286 HB3 CYS 40 2HB CYS 40 -0.050 3.309 -9.410 287 HG CYS 40 HG CYS 40 -2.377 1.867 -8.934 288 H LYS 41 H LYS 41 1.563 1.998 -11.052 289 HA LYS 41 HA LYS 41 0.887 -0.570 -11.681 290 HB2 LYS 41 1HB LYS 41 2.815 1.331 -12.993 291 HB3 LYS 41 2HB LYS 41 2.494 -0.257 -13.678 292 HG2 LYS 41 1HG LYS 41 0.159 0.274 -13.935 293 HG3 LYS 41 2HG LYS 41 0.389 1.822 -13.120 294 HD2 LYS 41 1HD LYS 41 1.987 2.452 -14.935 295 HD3 LYS 41 2HD LYS 41 1.536 0.966 -15.775 296 HE2 LYS 41 1HE LYS 41 -0.762 1.707 -15.921 297 HE3 LYS 41 2HE LYS 41 -0.390 3.145 -14.972 298 HZ1 LYS 41 1HZ LYS 41 0.382 4.195 -16.760 299 HZ2 LYS 41 2HZ LYS 41 -0.354 2.982 -17.681 300 HZ3 LYS 41 3HZ LYS 41 1.286 2.863 -17.282 301 H GLN 42 H GLN 42 3.846 0.540 -10.259 302 HA GLN 42 HA GLN 42 5.209 -1.985 -10.744 303 HB2 GLN 42 1HB GLN 42 6.075 0.530 -9.310 304 HB3 GLN 42 2HB GLN 42 7.085 -0.898 -9.494 305 HG2 GLN 42 1HG GLN 42 6.709 -0.612 -12.007 306 HG3 GLN 42 2HG GLN 42 6.126 1.001 -11.600 307 HE21 GLN 42 1HE2 GLN 42 7.603 2.505 -11.816 308 HE22 GLN 42 2HE2 GLN 42 9.300 2.321 -11.550 309 H LEU 43 H LEU 43 3.469 -0.340 -8.231 310 HA LEU 43 HA LEU 43 4.384 -2.095 -6.129 311 HB2 LEU 43 1HB LEU 43 3.600 0.364 -5.944 312 HB3 LEU 43 2HB LEU 43 1.977 -0.322 -5.952 313 HG LEU 43 HG LEU 43 2.618 -1.663 -3.942 314 HD11 LEU 43 1HD1 LEU 43 4.724 -0.123 -2.939 315 HD12 LEU 43 2HD1 LEU 43 5.197 -0.568 -4.578 316 HD13 LEU 43 3HD1 LEU 43 4.766 -1.821 -3.415 317 HD21 LEU 43 1HD2 LEU 43 2.707 1.344 -3.831 318 HD22 LEU 43 2HD2 LEU 43 2.610 0.325 -2.394 319 HD23 LEU 43 3HD2 LEU 43 1.314 0.287 -3.592 320 H ALA 44 H ALA 44 1.972 -2.152 -8.536 321 HA ALA 44 HA ALA 44 -0.125 -3.531 -7.391 322 HB1 ALA 44 1HB ALA 44 0.342 -4.646 -9.966 323 HB2 ALA 44 2HB ALA 44 -0.850 -3.439 -9.484 324 HB3 ALA 44 3HB ALA 44 0.754 -2.932 -10.015 325 HA PRO 45 HA PRO 45 2.178 -7.687 -8.334 326 HB2 PRO 45 1HB PRO 45 4.837 -7.519 -8.857 327 HB3 PRO 45 2HB PRO 45 3.604 -7.444 -10.120 328 HG2 PRO 45 1HG PRO 45 5.095 -5.212 -8.795 329 HG3 PRO 45 2HG PRO 45 4.706 -5.434 -10.511 330 HD2 PRO 45 1HD PRO 45 3.291 -3.782 -8.897 331 HD3 PRO 45 2HD PRO 45 2.550 -4.660 -10.251 332 H ILE 46 H ILE 46 4.468 -5.320 -6.957 333 HA ILE 46 HA ILE 46 5.591 -6.985 -5.024 334 HB ILE 46 HB ILE 46 5.160 -4.001 -4.833 335 HG12 ILE 46 1HG1 ILE 46 7.757 -5.235 -5.626 336 HG13 ILE 46 2HG1 ILE 46 6.475 -5.168 -6.830 337 HG21 ILE 46 1HG2 ILE 46 7.367 -4.320 -3.457 338 HG22 ILE 46 2HG2 ILE 46 5.793 -4.566 -2.700 339 HG23 ILE 46 3HG2 ILE 46 6.743 -5.954 -3.232 340 HD11 ILE 46 1HD1 ILE 46 8.204 -3.071 -5.837 341 HD12 ILE 46 2HD1 ILE 46 7.217 -3.132 -7.298 342 HD13 ILE 46 3HD1 ILE 46 6.499 -2.625 -5.769 343 H TRP 47 H TRP 47 2.714 -4.937 -4.882 344 HA TRP 47 HA TRP 47 2.199 -5.388 -2.119 345 HB2 TRP 47 1HB TRP 47 1.320 -3.474 -3.557 346 HB3 TRP 47 2HB TRP 47 0.145 -4.623 -4.193 347 HD1 TRP 47 HD TRP 47 -2.083 -4.654 -2.945 348 HE1 TRP 47 1HE TRP 47 -2.903 -3.952 -0.609 349 HE3 TRP 47 3HE TRP 47 2.392 -3.272 -0.896 350 HZ2 TRP 47 2HZ TRP 47 -1.799 -2.944 1.786 351 HZ3 TRP 47 3HZ TRP 47 2.423 -2.449 1.423 352 HH2 TRP 47 HH TRP 47 0.370 -2.289 2.734 353 H ASP 48 H ASP 48 1.126 -6.925 -5.106 354 HA ASP 48 HA ASP 48 -0.803 -8.621 -3.887 355 HB2 ASP 48 1HB ASP 48 -1.214 -8.472 -6.137 356 HB3 ASP 48 2HB ASP 48 0.496 -8.425 -6.556 357 H LYS 49 H LYS 49 2.635 -8.813 -4.374 358 HA LYS 49 HA LYS 49 2.826 -11.633 -3.854 359 HB2 LYS 49 1HB LYS 49 4.839 -9.408 -4.095 360 HB3 LYS 49 2HB LYS 49 5.314 -11.026 -3.595 361 HG2 LYS 49 1HG LYS 49 4.964 -11.921 -5.660 362 HG3 LYS 49 2HG LYS 49 3.707 -10.753 -6.076 363 HD2 LYS 49 1HD LYS 49 5.540 -10.188 -7.435 364 HD3 LYS 49 2HD LYS 49 5.570 -9.013 -6.118 365 HE2 LYS 49 1HE LYS 49 7.418 -9.986 -5.120 366 HE3 LYS 49 2HE LYS 49 7.140 -11.546 -5.893 367 HZ1 LYS 49 1HZ LYS 49 8.342 -10.957 -7.659 368 HZ2 LYS 49 2HZ LYS 49 8.940 -9.698 -6.702 369 HZ3 LYS 49 3HZ LYS 49 7.648 -9.418 -7.757 370 H LEU 50 H LEU 50 2.768 -8.737 -1.964 371 HA LEU 50 HA LEU 50 3.857 -10.026 0.398 372 HB2 LEU 50 1HB LEU 50 4.520 -7.840 0.398 373 HB3 LEU 50 2HB LEU 50 3.027 -7.274 -0.349 374 HG LEU 50 HG LEU 50 1.902 -7.700 1.875 375 HD11 LEU 50 1HD1 LEU 50 3.939 -7.408 3.663 376 HD12 LEU 50 2HD1 LEU 50 4.634 -8.536 2.499 377 HD13 LEU 50 3HD1 LEU 50 3.113 -8.924 3.303 378 HD21 LEU 50 1HD2 LEU 50 2.635 -5.469 1.007 379 HD22 LEU 50 2HD2 LEU 50 4.118 -5.661 1.941 380 HD23 LEU 50 3HD2 LEU 50 2.560 -5.589 2.765 381 H GLY 51 H GLY 51 0.747 -8.992 -0.877 382 HA2 GLY 51 1HA GLY 51 -0.786 -9.280 1.457 383 HA3 GLY 51 2HA GLY 51 -1.400 -9.407 -0.185 384 H GLU 52 H GLU 52 0.064 -11.639 -1.047 385 HA GLU 52 HA GLU 52 -1.552 -13.732 -0.071 386 HB2 GLU 52 1HB GLU 52 -0.398 -15.145 -1.570 387 HB3 GLU 52 2HB GLU 52 -0.428 -13.568 -2.346 388 HG2 GLU 52 1HG GLU 52 1.846 -13.163 -1.808 389 HG3 GLU 52 2HG GLU 52 1.908 -14.566 -0.742 390 H THR 53 H THR 53 1.534 -12.504 0.909 391 HA THR 53 HA THR 53 2.457 -14.798 2.302 392 HB THR 53 HB THR 53 3.159 -11.890 2.748 393 HG1 THR 53 1HG THR 53 3.591 -13.186 0.633 394 HG21 THR 53 1HG2 THR 53 4.769 -14.324 3.501 395 HG22 THR 53 2HG2 THR 53 3.699 -13.488 4.627 396 HG23 THR 53 3HG2 THR 53 5.081 -12.643 3.930 397 H TYR 54 H TYR 54 0.431 -12.069 3.184 398 HA TYR 54 HA TYR 54 0.040 -13.290 5.838 399 HB2 TYR 54 1HB TYR 54 -0.287 -10.372 5.114 400 HB3 TYR 54 2HB TYR 54 -0.441 -11.077 6.719 401 HD1 TYR 54 2HD TYR 54 1.983 -10.450 3.978 402 HD2 TYR 54 1HD TYR 54 1.440 -11.327 8.106 403 HE1 TYR 54 2HE TYR 54 4.381 -10.067 4.369 404 HE2 TYR 54 1HE TYR 54 3.836 -10.945 8.508 405 HH TYR 54 HH TYR 54 5.783 -10.365 7.621 406 H LYS 55 H LYS 55 -1.380 -13.996 3.439 407 HA LYS 55 HA LYS 55 -3.953 -12.724 3.493 408 HB2 LYS 55 1HB LYS 55 -4.560 -14.201 1.755 409 HB3 LYS 55 2HB LYS 55 -2.862 -13.836 1.479 410 HG2 LYS 55 1HG LYS 55 -2.401 -15.998 2.790 411 HG3 LYS 55 2HG LYS 55 -4.102 -16.363 2.494 412 HD2 LYS 55 1HD LYS 55 -3.793 -16.636 0.246 413 HD3 LYS 55 2HD LYS 55 -2.443 -15.500 0.184 414 HE2 LYS 55 1HE LYS 55 -1.322 -17.471 -0.112 415 HE3 LYS 55 2HE LYS 55 -1.264 -17.347 1.645 416 HZ1 LYS 55 1HZ LYS 55 -3.235 -18.929 0.085 417 HZ2 LYS 55 2HZ LYS 55 -3.190 -18.805 1.772 418 HZ3 LYS 55 3HZ LYS 55 -1.921 -19.559 0.945 419 H ASP 56 H ASP 56 -2.500 -15.566 4.920 420 HA ASP 56 HA ASP 56 -5.070 -16.177 6.227 421 HB2 ASP 56 1HB ASP 56 -4.046 -17.935 4.674 422 HB3 ASP 56 2HB ASP 56 -2.796 -18.129 5.899 423 H HIS 57 H HIS 57 -2.883 -14.284 7.001 424 HA HIS 57 HA HIS 57 -1.428 -15.336 9.173 425 HB2 HIS 57 1HB HIS 57 -1.394 -12.976 7.835 426 HB3 HIS 57 2HB HIS 57 -2.199 -12.487 9.323 427 HD1 HIS 57 1HD HIS 57 -0.800 -12.462 11.474 428 HD2 HIS 57 2HD HIS 57 1.300 -13.744 8.125 429 HE1 HIS 57 1HE HIS 57 1.619 -12.482 12.163 430 HE2 HIS 57 2HE HIS 57 2.877 -13.179 10.096 431 H GLU 58 H GLU 58 -1.811 -13.933 11.392 432 HA GLU 58 HA GLU 58 -4.494 -14.759 12.261 433 HB2 GLU 58 1HB GLU 58 -3.459 -14.627 14.575 434 HB3 GLU 58 2HB GLU 58 -2.857 -15.903 13.527 435 HG2 GLU 58 1HG GLU 58 -1.464 -13.260 13.774 436 HG3 GLU 58 2HG GLU 58 -1.153 -14.595 14.881 437 H ASN 59 H ASN 59 -2.148 -12.118 12.479 438 HA ASN 59 HA ASN 59 -4.358 -10.333 13.260 439 HB2 ASN 59 1HB ASN 59 -2.842 -9.035 14.604 440 HB3 ASN 59 2HB ASN 59 -2.692 -10.721 15.090 441 HD21 ASN 59 1HD2 ASN 59 -0.782 -11.759 14.840 442 HD22 ASN 59 2HD2 ASN 59 0.658 -11.000 14.260 443 H ILE 60 H ILE 60 -1.554 -10.866 11.275 444 HA ILE 60 HA ILE 60 -1.583 -8.200 10.153 445 HB ILE 60 HB ILE 60 -0.042 -10.632 9.241 446 HG12 ILE 60 1HG1 ILE 60 0.808 -8.342 11.029 447 HG13 ILE 60 2HG1 ILE 60 0.501 -9.993 11.557 448 HG21 ILE 60 1HG2 ILE 60 1.378 -8.389 8.533 449 HG22 ILE 60 2HG2 ILE 60 0.369 -9.354 7.457 450 HG23 ILE 60 3HG2 ILE 60 -0.292 -7.913 8.228 451 HD11 ILE 60 1HD1 ILE 60 2.787 -9.961 11.390 452 HD12 ILE 60 2HD1 ILE 60 2.329 -10.594 9.808 453 HD13 ILE 60 3HD1 ILE 60 2.779 -8.898 9.984 454 H VAL 61 H VAL 61 -3.126 -7.646 8.767 455 HA VAL 61 HA VAL 61 -3.916 -9.595 6.702 456 HB VAL 61 HB VAL 61 -5.636 -7.806 8.375 457 HG11 VAL 61 1HG1 VAL 61 -6.342 -7.035 6.295 458 HG12 VAL 61 2HG1 VAL 61 -6.119 -8.609 5.528 459 HG13 VAL 61 3HG1 VAL 61 -7.463 -8.352 6.642 460 HG21 VAL 61 1HG2 VAL 61 -5.339 -10.211 8.913 461 HG22 VAL 61 2HG2 VAL 61 -7.012 -9.771 8.567 462 HG23 VAL 61 3HG2 VAL 61 -6.051 -10.611 7.350 463 H ILE 62 H ILE 62 -3.074 -8.903 4.847 464 HA ILE 62 HA ILE 62 -2.564 -6.115 4.345 465 HB ILE 62 HB ILE 62 -2.287 -8.502 2.515 466 HG12 ILE 62 1HG1 ILE 62 -0.842 -8.492 4.568 467 HG13 ILE 62 2HG1 ILE 62 0.055 -8.456 3.053 468 HG21 ILE 62 1HG2 ILE 62 -2.242 -5.732 1.933 469 HG22 ILE 62 2HG2 ILE 62 -0.590 -6.333 1.808 470 HG23 ILE 62 3HG2 ILE 62 -1.874 -7.083 0.861 471 HD11 ILE 62 1HD1 ILE 62 -0.580 -5.869 4.354 472 HD12 ILE 62 2HD1 ILE 62 0.668 -6.886 5.074 473 HD13 ILE 62 3HD1 ILE 62 0.825 -6.347 3.402 474 H ALA 63 H ALA 63 -3.606 -4.763 2.938 475 HA ALA 63 HA ALA 63 -5.805 -5.749 1.319 476 HB1 ALA 63 1HB ALA 63 -6.186 -4.117 3.775 477 HB2 ALA 63 2HB ALA 63 -7.214 -3.788 2.380 478 HB3 ALA 63 3HB ALA 63 -7.193 -5.398 3.099 479 H LYS 64 H LYS 64 -6.479 -4.284 -0.292 480 HA LYS 64 HA LYS 64 -4.789 -1.890 -0.590 481 HB2 LYS 64 1HB LYS 64 -4.539 -2.313 -2.937 482 HB3 LYS 64 2HB LYS 64 -4.068 -3.771 -2.074 483 HG2 LYS 64 1HG LYS 64 -6.148 -4.834 -2.613 484 HG3 LYS 64 2HG LYS 64 -6.771 -3.345 -3.327 485 HD2 LYS 64 1HD LYS 64 -4.987 -3.446 -5.026 486 HD3 LYS 64 2HD LYS 64 -4.433 -4.971 -4.330 487 HE2 LYS 64 1HE LYS 64 -6.644 -5.954 -4.803 488 HE3 LYS 64 2HE LYS 64 -7.138 -4.439 -5.557 489 HZ1 LYS 64 1HZ LYS 64 -4.692 -5.327 -6.663 490 HZ2 LYS 64 2HZ LYS 64 -6.170 -5.052 -7.437 491 HZ3 LYS 64 3HZ LYS 64 -5.840 -6.566 -6.758 492 H MET 65 H MET 65 -5.764 -0.064 -1.370 493 HA MET 65 HA MET 65 -8.560 -0.241 -2.226 494 HB2 MET 65 1HB MET 65 -8.336 0.288 0.271 495 HB3 MET 65 2HB MET 65 -7.674 1.838 -0.233 496 HG2 MET 65 1HG MET 65 -9.697 2.473 -1.272 497 HG3 MET 65 2HG MET 65 -10.351 0.841 -1.154 498 HE1 MET 65 1HE MET 65 -11.904 3.898 0.700 499 HE2 MET 65 2HE MET 65 -10.375 4.310 1.475 500 HE3 MET 65 3HE MET 65 -10.440 4.058 -0.270 501 H ASP 66 H ASP 66 -9.242 1.417 -3.592 502 HA ASP 66 HA ASP 66 -7.056 2.910 -4.838 503 HB2 ASP 66 1HB ASP 66 -8.471 1.526 -6.298 504 HB3 ASP 66 2HB ASP 66 -9.889 2.439 -5.790 505 H SER 67 H SER 67 -6.715 4.810 -3.860 506 HA SER 67 HA SER 67 -8.695 6.312 -2.516 507 HB2 SER 67 1HB SER 67 -6.046 6.367 -2.398 508 HB3 SER 67 2HB SER 67 -6.250 7.655 -3.586 509 HG SER 67 HG SER 67 -7.970 8.281 -1.823 510 H THR 68 H THR 68 -7.701 6.154 -5.821 511 HA THR 68 HA THR 68 -8.871 8.687 -6.564 512 HB THR 68 HB THR 68 -8.088 8.316 -8.715 513 HG1 THR 68 1HG THR 68 -8.564 5.611 -8.119 514 HG21 THR 68 1HG2 THR 68 -5.846 7.705 -8.503 515 HG22 THR 68 2HG2 THR 68 -6.198 6.466 -7.299 516 HG23 THR 68 3HG2 THR 68 -6.292 8.172 -6.862 517 H ALA 69 H ALA 69 -9.985 5.513 -6.066 518 HA ALA 69 HA ALA 69 -12.428 6.063 -7.621 519 HB1 ALA 69 1HB ALA 69 -10.916 3.563 -7.093 520 HB2 ALA 69 2HB ALA 69 -12.672 3.456 -7.226 521 HB3 ALA 69 3HB ALA 69 -11.724 4.110 -8.562 522 H ASN 70 H ASN 70 -11.138 5.728 -4.507 523 HA ASN 70 HA ASN 70 -13.824 5.818 -3.363 524 HB2 ASN 70 1HB ASN 70 -11.690 3.956 -2.299 525 HB3 ASN 70 2HB ASN 70 -13.329 4.144 -1.681 526 HD21 ASN 70 1HD2 ASN 70 -11.317 2.554 -3.898 527 HD22 ASN 70 2HD2 ASN 70 -12.536 1.650 -4.723 528 H GLU 71 H GLU 71 -13.972 7.430 -1.952 529 HA GLU 71 HA GLU 71 -11.496 8.416 -0.696 530 HB2 GLU 71 1HB GLU 71 -13.805 9.830 -1.928 531 HB3 GLU 71 2HB GLU 71 -13.070 10.566 -0.511 532 HG2 GLU 71 1HG GLU 71 -11.119 11.033 -1.587 533 HG3 GLU 71 2HG GLU 71 -11.280 9.677 -2.702 534 H VAL 72 H VAL 72 -11.410 8.471 1.461 535 HA VAL 72 HA VAL 72 -13.925 8.260 2.977 536 HB VAL 72 HB VAL 72 -12.769 6.767 4.593 537 HG11 VAL 72 1HG1 VAL 72 -13.130 5.875 1.746 538 HG12 VAL 72 2HG1 VAL 72 -12.754 4.744 3.048 539 HG13 VAL 72 3HG1 VAL 72 -14.240 5.693 3.104 540 HG21 VAL 72 1HG2 VAL 72 -10.577 6.437 4.485 541 HG22 VAL 72 2HG2 VAL 72 -10.745 5.730 2.878 542 HG23 VAL 72 3HG2 VAL 72 -10.497 7.467 3.055 543 H GLU 73 H GLU 73 -14.023 9.393 4.877 544 HA GLU 73 HA GLU 73 -12.217 11.571 5.187 545 HB2 GLU 73 1HB GLU 73 -13.601 12.252 7.021 546 HB3 GLU 73 2HB GLU 73 -14.652 11.643 5.750 547 HG2 GLU 73 1HG GLU 73 -14.645 9.438 6.997 548 HG3 GLU 73 2HG GLU 73 -13.902 10.316 8.333 549 H ALA 74 H ALA 74 -12.573 8.444 6.710 550 HA ALA 74 HA ALA 74 -11.056 8.831 9.016 551 HB1 ALA 74 1HB ALA 74 -11.091 6.554 9.272 552 HB2 ALA 74 2HB ALA 74 -12.434 6.772 8.148 553 HB3 ALA 74 3HB ALA 74 -10.860 6.245 7.551 554 H VAL 75 H VAL 75 -10.083 8.619 5.711 555 HA VAL 75 HA VAL 75 -7.333 9.145 6.468 556 HB VAL 75 HB VAL 75 -8.149 6.661 4.987 557 HG11 VAL 75 1HG1 VAL 75 -5.793 6.383 4.321 558 HG12 VAL 75 2HG1 VAL 75 -6.551 7.776 3.548 559 HG13 VAL 75 3HG1 VAL 75 -5.453 8.010 4.909 560 HG21 VAL 75 1HG2 VAL 75 -6.143 5.903 6.544 561 HG22 VAL 75 2HG2 VAL 75 -6.641 7.326 7.458 562 HG23 VAL 75 3HG2 VAL 75 -7.795 6.029 7.151 563 H LYS 76 H LYS 76 -7.080 11.001 5.391 564 HA LYS 76 HA LYS 76 -8.134 11.254 2.674 565 HB2 LYS 76 1HB LYS 76 -7.284 13.171 4.793 566 HB3 LYS 76 2HB LYS 76 -7.148 13.683 3.116 567 HG2 LYS 76 1HG LYS 76 -9.692 12.595 4.286 568 HG3 LYS 76 2HG LYS 76 -9.278 14.310 4.302 569 HD2 LYS 76 1HD LYS 76 -9.516 14.527 2.030 570 HD3 LYS 76 2HD LYS 76 -9.128 12.833 1.719 571 HE2 LYS 76 1HE LYS 76 -11.271 12.119 2.200 572 HE3 LYS 76 2HE LYS 76 -11.628 13.528 3.198 573 HZ1 LYS 76 1HZ LYS 76 -11.087 14.162 0.443 574 HZ2 LYS 76 2HZ LYS 76 -12.352 14.674 1.442 575 HZ3 LYS 76 3HZ LYS 76 -12.450 13.181 0.652 576 H VAL 77 H VAL 77 -6.812 10.531 1.135 577 HA VAL 77 HA VAL 77 -3.917 10.921 1.440 578 HB VAL 77 HB VAL 77 -5.298 9.210 -0.625 579 HG11 VAL 77 1HG1 VAL 77 -3.081 8.085 -0.682 580 HG12 VAL 77 2HG1 VAL 77 -3.037 9.767 -1.212 581 HG13 VAL 77 3HG1 VAL 77 -2.466 9.334 0.399 582 HG21 VAL 77 1HG2 VAL 77 -4.037 8.086 1.840 583 HG22 VAL 77 2HG2 VAL 77 -5.706 8.652 1.886 584 HG23 VAL 77 3HG2 VAL 77 -5.241 7.368 0.770 585 H HIS 78 H HIS 78 -2.771 12.182 0.082 586 HA HIS 78 HA HIS 78 -4.236 13.468 -2.129 587 HB2 HIS 78 1HB HIS 78 -1.908 14.721 -0.686 588 HB3 HIS 78 2HB HIS 78 -3.102 15.501 -1.719 589 HD1 HIS 78 1HD HIS 78 -4.716 16.840 -0.430 590 HD2 HIS 78 2HD HIS 78 -3.370 13.562 1.739 591 HE1 HIS 78 1HE HIS 78 -5.862 16.994 1.803 592 HE2 HIS 78 2HE HIS 78 -4.968 15.048 3.127 593 H SER 79 H SER 79 -1.452 11.702 -1.162 594 HA SER 79 HA SER 79 -0.319 12.000 -3.867 595 HB2 SER 79 1HB SER 79 1.885 11.431 -2.842 596 HB3 SER 79 2HB SER 79 1.209 12.944 -2.239 597 HG SER 79 HG SER 79 1.301 10.425 -0.954 598 H PHE 80 H PHE 80 1.038 10.055 -4.505 599 HA PHE 80 HA PHE 80 0.364 7.525 -3.335 600 HB2 PHE 80 1HB PHE 80 -0.626 7.954 -6.148 601 HB3 PHE 80 2HB PHE 80 -0.965 6.608 -5.064 602 HD1 PHE 80 1HD PHE 80 -2.482 6.938 -3.130 603 HD2 PHE 80 2HD PHE 80 -1.935 9.921 -6.117 604 HE1 PHE 80 1HE PHE 80 -4.550 8.049 -2.394 605 HE2 PHE 80 2HE PHE 80 -4.002 11.037 -5.386 606 HZ PHE 80 HZ PHE 80 -5.312 10.102 -3.522 607 HA PRO 81 HA PRO 81 0.329 5.352 -4.213 608 HB2 PRO 81 1HB PRO 81 2.088 3.506 -3.281 609 HB3 PRO 81 2HB PRO 81 1.532 3.542 -4.958 610 HG2 PRO 81 1HG PRO 81 4.080 4.586 -3.785 611 HG3 PRO 81 2HG PRO 81 3.829 3.682 -5.290 612 HD2 PRO 81 1HD PRO 81 4.164 6.368 -5.242 613 HD3 PRO 81 2HD PRO 81 3.146 5.554 -6.448 614 H THR 82 H THR 82 -0.343 5.042 -2.107 615 HA THR 82 HA THR 82 1.376 6.165 0.006 616 HB THR 82 HB THR 82 -1.580 6.607 -0.413 617 HG1 THR 82 1HG THR 82 -0.554 8.852 0.069 618 HG21 THR 82 1HG2 THR 82 -1.061 6.026 1.963 619 HG22 THR 82 2HG2 THR 82 -1.686 7.660 1.744 620 HG23 THR 82 3HG2 THR 82 0.038 7.403 2.007 621 H LEU 83 H LEU 83 1.496 5.042 1.883 622 HA LEU 83 HA LEU 83 -0.235 2.674 2.156 623 HB2 LEU 83 1HB LEU 83 2.598 2.780 3.140 624 HB3 LEU 83 2HB LEU 83 1.564 1.370 2.918 625 HG LEU 83 HG LEU 83 2.640 3.034 0.647 626 HD11 LEU 83 1HD1 LEU 83 3.917 0.990 2.278 627 HD12 LEU 83 2HD1 LEU 83 4.617 2.115 1.116 628 HD13 LEU 83 3HD1 LEU 83 3.907 0.600 0.558 629 HD21 LEU 83 1HD2 LEU 83 2.124 0.764 -0.510 630 HD22 LEU 83 2HD2 LEU 83 0.812 1.901 -0.194 631 HD23 LEU 83 3HD2 LEU 83 1.052 0.512 0.868 632 H LYS 84 H LYS 84 -1.018 2.208 4.173 633 HA LYS 84 HA LYS 84 -0.141 3.840 6.435 634 HB2 LYS 84 1HB LYS 84 -3.052 3.568 5.671 635 HB3 LYS 84 2HB LYS 84 -2.402 4.475 7.030 636 HG2 LYS 84 1HG LYS 84 -1.077 5.683 5.055 637 HG3 LYS 84 2HG LYS 84 -2.507 5.166 4.159 638 HD2 LYS 84 1HD LYS 84 -3.951 6.311 5.719 639 HD3 LYS 84 2HD LYS 84 -2.573 6.726 6.742 640 HE2 LYS 84 1HE LYS 84 -1.647 7.910 4.658 641 HE3 LYS 84 2HE LYS 84 -3.286 7.777 4.022 642 HZ1 LYS 84 1HZ LYS 84 -3.323 8.784 6.671 643 HZ2 LYS 84 2HZ LYS 84 -3.918 9.490 5.254 644 HZ3 LYS 84 3HZ LYS 84 -2.306 9.731 5.705 645 H PHE 85 H PHE 85 0.145 2.611 8.171 646 HA PHE 85 HA PHE 85 -0.940 -0.096 8.180 647 HB2 PHE 85 1HB PHE 85 1.421 0.073 8.638 648 HB3 PHE 85 2HB PHE 85 1.137 1.259 9.908 649 HD1 PHE 85 2HD PHE 85 0.813 -2.284 8.981 650 HD2 PHE 85 1HD PHE 85 0.496 0.595 12.100 651 HE1 PHE 85 2HE PHE 85 0.686 -4.098 10.638 652 HE2 PHE 85 1HE PHE 85 0.370 -1.215 13.763 653 HZ PHE 85 HZ PHE 85 0.463 -3.565 13.032 654 H PHE 86 H PHE 86 -2.687 -0.624 9.301 655 HA PHE 86 HA PHE 86 -3.669 1.243 11.340 656 HB2 PHE 86 1HB PHE 86 -5.131 -1.004 9.937 657 HB3 PHE 86 2HB PHE 86 -5.845 0.166 11.042 658 HD1 PHE 86 1HD PHE 86 -3.739 2.249 9.584 659 HD2 PHE 86 2HD PHE 86 -7.039 -0.189 8.450 660 HE1 PHE 86 1HE PHE 86 -4.197 3.755 7.692 661 HE2 PHE 86 2HE PHE 86 -7.501 1.312 6.556 662 HZ PHE 86 HZ PHE 86 -6.079 3.286 6.174 663 HA PRO 87 HA PRO 87 -2.110 -1.923 14.164 664 HB2 PRO 87 1HB PRO 87 -2.221 -0.324 16.355 665 HB3 PRO 87 2HB PRO 87 -0.893 -0.266 15.191 666 HG2 PRO 87 1HG PRO 87 -3.282 1.522 15.429 667 HG3 PRO 87 2HG PRO 87 -1.589 1.952 15.121 668 HD2 PRO 87 1HD PRO 87 -3.440 1.819 13.149 669 HD3 PRO 87 2HD PRO 87 -1.730 1.421 12.883 670 H ALA 88 H ALA 88 -3.073 -3.147 15.807 671 HA ALA 88 HA ALA 88 -5.871 -3.380 15.725 672 HB1 ALA 88 1HB ALA 88 -5.578 -5.256 16.940 673 HB2 ALA 88 2HB ALA 88 -3.878 -4.994 16.549 674 HB3 ALA 88 3HB ALA 88 -4.516 -4.465 18.105 675 H SER 89 H SER 89 -6.554 -1.187 16.169 676 HA SER 89 HA SER 89 -6.866 -0.729 19.047 677 HB2 SER 89 1HB SER 89 -5.018 0.718 17.812 678 HB3 SER 89 2HB SER 89 -6.421 1.658 17.305 679 HG SER 89 HG SER 89 -6.007 2.567 19.192 680 H ALA 90 H ALA 90 -8.768 0.321 19.644 681 HA ALA 90 HA ALA 90 -10.853 0.269 17.593 682 HB1 ALA 90 1HB ALA 90 -10.980 -0.887 19.917 683 HB2 ALA 90 2HB ALA 90 -11.397 0.726 20.496 684 HB3 ALA 90 3HB ALA 90 -12.399 -0.060 19.276 685 H ASP 91 H ASP 91 -8.845 2.451 17.874 686 HA ASP 91 HA ASP 91 -10.747 4.674 18.218 687 HB2 ASP 91 1HB ASP 91 -9.037 4.539 20.053 688 HB3 ASP 91 2HB ASP 91 -7.791 4.803 18.836 689 H ARG 92 H ARG 92 -10.292 3.332 15.792 690 HA ARG 92 HA ARG 92 -9.455 3.578 13.651 691 HB2 ARG 92 1HB ARG 92 -11.427 5.079 13.835 692 HB3 ARG 92 2HB ARG 92 -10.346 6.403 14.249 693 HG2 ARG 92 1HG ARG 92 -9.199 5.716 11.974 694 HG3 ARG 92 2HG ARG 92 -10.809 5.075 11.638 695 HD2 ARG 92 1HD ARG 92 -10.366 7.877 12.631 696 HD3 ARG 92 2HD ARG 92 -10.337 7.471 10.915 697 HE ARG 92 HE ARG 92 -12.690 6.430 11.796 698 HH11 ARG 92 2HH1 ARG 92 -11.216 9.581 11.936 699 HH12 ARG 92 1HH1 ARG 92 -12.725 10.432 11.913 700 HH21 ARG 92 2HH2 ARG 92 -14.683 7.539 11.766 701 HH22 ARG 92 1HH2 ARG 92 -14.697 9.269 11.818 702 H THR 93 H THR 93 -7.247 3.455 15.059 703 HA THR 93 HA THR 93 -5.636 5.843 14.768 704 HB THR 93 HB THR 93 -4.793 3.071 15.636 705 HG1 THR 93 1HG THR 93 -6.041 3.678 17.275 706 HG21 THR 93 1HG2 THR 93 -3.425 5.723 16.088 707 HG22 THR 93 2HG2 THR 93 -2.974 4.580 14.823 708 HG23 THR 93 3HG2 THR 93 -2.823 4.123 16.520 709 H VAL 94 H VAL 94 -4.053 6.200 13.282 710 HA VAL 94 HA VAL 94 -3.555 4.105 11.278 711 HB VAL 94 HB VAL 94 -4.246 6.991 10.758 712 HG11 VAL 94 1HG1 VAL 94 -3.073 5.024 8.795 713 HG12 VAL 94 2HG1 VAL 94 -3.612 6.666 8.439 714 HG13 VAL 94 3HG1 VAL 94 -2.221 6.401 9.490 715 HG21 VAL 94 1HG2 VAL 94 -6.145 6.227 9.800 716 HG22 VAL 94 2HG2 VAL 94 -5.370 4.778 9.162 717 HG23 VAL 94 3HG2 VAL 94 -5.863 4.841 10.854 718 H ILE 95 H ILE 95 -1.478 3.897 10.617 719 HA ILE 95 HA ILE 95 0.468 5.829 11.699 720 HB ILE 95 HB ILE 95 0.808 2.857 11.285 721 HG12 ILE 95 1HG1 ILE 95 0.945 4.481 13.831 722 HG13 ILE 95 2HG1 ILE 95 -0.492 3.614 13.300 723 HG21 ILE 95 1HG2 ILE 95 3.001 3.664 12.665 724 HG22 ILE 95 2HG2 ILE 95 2.952 3.412 10.921 725 HG23 ILE 95 3HG2 ILE 95 2.750 5.034 11.583 726 HD11 ILE 95 1HD1 ILE 95 2.023 2.072 13.486 727 HD12 ILE 95 2HD1 ILE 95 1.259 2.577 14.994 728 HD13 ILE 95 3HD1 ILE 95 0.363 1.591 13.839 729 H ASP 96 H ASP 96 2.115 6.531 10.393 730 HA ASP 96 HA ASP 96 1.712 6.156 7.543 731 HB2 ASP 96 1HB ASP 96 3.456 8.000 9.170 732 HB3 ASP 96 2HB ASP 96 3.591 7.889 7.418 733 H TYR 97 H TYR 97 2.828 4.781 6.333 734 HA TYR 97 HA TYR 97 4.969 3.239 7.496 735 HB2 TYR 97 1HB TYR 97 3.302 2.148 6.073 736 HB3 TYR 97 2HB TYR 97 3.769 3.171 4.719 737 HD1 TYR 97 2HD TYR 97 4.879 0.422 6.919 738 HD2 TYR 97 1HD TYR 97 5.681 2.662 3.391 739 HE1 TYR 97 2HE TYR 97 6.570 -1.237 6.258 740 HE2 TYR 97 1HE TYR 97 7.373 1.008 2.719 741 HH TYR 97 HH TYR 97 8.804 -0.688 3.759 742 H ASN 98 H ASN 98 6.959 4.037 7.577 743 HA ASN 98 HA ASN 98 7.949 5.570 5.263 744 HB2 ASN 98 1HB ASN 98 9.028 5.831 8.065 745 HB3 ASN 98 2HB ASN 98 9.264 6.919 6.700 746 HD21 ASN 98 1HD2 ASN 98 6.957 7.572 5.762 747 HD22 ASN 98 2HD2 ASN 98 5.898 8.231 6.957 748 H GLY 99 H GLY 99 8.156 2.927 4.995 749 HA2 GLY 99 1HA GLY 99 10.825 2.149 5.947 750 HA3 GLY 99 2HA GLY 99 9.613 1.061 5.286 751 H GLU 100 H GLU 100 10.830 0.138 3.694 752 HA GLU 100 HA GLU 100 12.150 1.892 1.758 753 HB2 GLU 100 1HB GLU 100 12.889 -0.451 0.850 754 HB3 GLU 100 2HB GLU 100 13.651 0.222 2.284 755 HG2 GLU 100 1HG GLU 100 11.269 -1.500 2.667 756 HG3 GLU 100 2HG GLU 100 12.779 -2.270 2.185 757 H ARG 101 H ARG 101 9.198 0.453 2.189 758 HA ARG 101 HA ARG 101 7.414 0.032 0.842 759 HB2 ARG 101 1HB ARG 101 8.317 2.358 -0.001 760 HB3 ARG 101 2HB ARG 101 8.746 1.438 -1.436 761 HG2 ARG 101 1HG ARG 101 6.290 0.635 -1.367 762 HG3 ARG 101 2HG ARG 101 6.043 2.028 -0.311 763 HD2 ARG 101 1HD ARG 101 7.400 2.275 -2.979 764 HD3 ARG 101 2HD ARG 101 5.646 2.351 -2.817 765 HE ARG 101 HE ARG 101 7.496 4.413 -2.208 766 HH11 ARG 101 2HH1 ARG 101 4.495 2.998 -1.154 767 HH12 ARG 101 1HH1 ARG 101 3.904 4.462 -0.441 768 HH21 ARG 101 2HH2 ARG 101 6.729 6.347 -1.273 769 HH22 ARG 101 1HH2 ARG 101 5.175 6.367 -0.510 770 H THR 102 H THR 102 9.298 -1.992 0.964 771 HA THR 102 HA THR 102 9.156 -3.109 -1.760 772 HB THR 102 HB THR 102 11.209 -4.362 -1.332 773 HG1 THR 102 1HG THR 102 12.252 -4.249 0.576 774 HG21 THR 102 1HG2 THR 102 12.229 -1.734 -0.581 775 HG22 THR 102 2HG2 THR 102 11.033 -1.666 -1.875 776 HG23 THR 102 3HG2 THR 102 12.476 -2.663 -2.059 777 H LEU 103 H LEU 103 9.186 -5.522 -1.786 778 HA LEU 103 HA LEU 103 7.079 -6.577 -0.306 779 HB2 LEU 103 1HB LEU 103 7.783 -7.542 -2.403 780 HB3 LEU 103 2HB LEU 103 9.342 -7.987 -1.711 781 HG LEU 103 HG LEU 103 8.224 -9.603 -0.246 782 HD11 LEU 103 1HD1 LEU 103 5.827 -8.291 -1.335 783 HD12 LEU 103 2HD1 LEU 103 6.088 -9.074 0.222 784 HD13 LEU 103 3HD1 LEU 103 5.746 -10.048 -1.208 785 HD21 LEU 103 1HD2 LEU 103 7.136 -10.293 -2.909 786 HD22 LEU 103 2HD2 LEU 103 8.171 -11.225 -1.828 787 HD23 LEU 103 3HD2 LEU 103 8.861 -9.938 -2.818 788 H ASP 104 H ASP 104 10.575 -7.103 0.123 789 HA ASP 104 HA ASP 104 10.233 -8.631 2.515 790 HB2 ASP 104 1HB ASP 104 12.572 -7.480 1.041 791 HB3 ASP 104 2HB ASP 104 12.793 -8.054 2.692 792 H GLY 105 H GLY 105 10.656 -5.255 1.769 793 HA2 GLY 105 1HA GLY 105 11.472 -4.404 4.357 794 HA3 GLY 105 2HA GLY 105 10.793 -3.383 3.098 795 H PHE 106 H PHE 106 8.327 -4.863 2.846 796 HA PHE 106 HA PHE 106 6.782 -3.514 4.769 797 HB2 PHE 106 1HB PHE 106 6.103 -5.793 2.906 798 HB3 PHE 106 2HB PHE 106 4.910 -4.976 3.910 799 HD1 PHE 106 2HD PHE 106 5.515 -2.199 3.708 800 HD2 PHE 106 1HD PHE 106 5.790 -5.210 0.712 801 HE1 PHE 106 2HE PHE 106 5.223 -0.487 1.965 802 HE2 PHE 106 1HE PHE 106 5.498 -3.503 -1.036 803 HZ PHE 106 HZ PHE 106 5.213 -1.138 -0.410 804 H LYS 107 H LYS 107 7.723 -6.925 4.499 805 HA LYS 107 HA LYS 107 6.323 -7.936 6.672 806 HB2 LYS 107 1HB LYS 107 9.098 -8.846 5.927 807 HB3 LYS 107 2HB LYS 107 7.786 -9.804 6.603 808 HG2 LYS 107 1HG LYS 107 6.568 -9.129 4.381 809 HG3 LYS 107 2HG LYS 107 8.219 -8.881 3.808 810 HD2 LYS 107 1HD LYS 107 8.569 -11.262 4.916 811 HD3 LYS 107 2HD LYS 107 6.835 -11.389 4.608 812 HE2 LYS 107 1HE LYS 107 8.571 -10.400 2.410 813 HE3 LYS 107 2HE LYS 107 8.649 -12.114 2.811 814 HZ1 LYS 107 1HZ LYS 107 6.649 -10.707 1.380 815 HZ2 LYS 107 2HZ LYS 107 5.967 -11.474 2.724 816 HZ3 LYS 107 3HZ LYS 107 6.836 -12.376 1.588 817 H LYS 108 H LYS 108 9.456 -6.315 6.564 818 HA LYS 108 HA LYS 108 10.248 -6.767 9.210 819 HB2 LYS 108 1HB LYS 108 10.836 -4.261 7.635 820 HB3 LYS 108 2HB LYS 108 11.813 -4.987 8.906 821 HG2 LYS 108 1HG LYS 108 11.825 -7.027 7.217 822 HG3 LYS 108 2HG LYS 108 11.549 -5.733 6.050 823 HD2 LYS 108 1HD LYS 108 13.896 -6.014 6.185 824 HD3 LYS 108 2HD LYS 108 13.524 -4.545 7.090 825 HE2 LYS 108 1HE LYS 108 13.692 -5.733 9.177 826 HE3 LYS 108 2HE LYS 108 13.891 -7.267 8.333 827 HZ1 LYS 108 1HZ LYS 108 15.853 -5.338 9.018 828 HZ2 LYS 108 2HZ LYS 108 15.859 -5.609 7.349 829 HZ3 LYS 108 3HZ LYS 108 16.062 -6.905 8.416 830 H PHE 109 H PHE 109 8.425 -4.062 7.796 831 HA PHE 109 HA PHE 109 8.099 -2.642 10.215 832 HB2 PHE 109 1HB PHE 109 7.807 -1.634 7.968 833 HB3 PHE 109 2HB PHE 109 6.339 -2.581 7.756 834 HD1 PHE 109 2HD PHE 109 7.872 0.245 9.498 835 HD2 PHE 109 1HD PHE 109 4.308 -2.007 8.915 836 HE1 PHE 109 2HE PHE 109 6.570 2.035 10.572 837 HE2 PHE 109 1HE PHE 109 2.999 -0.220 9.988 838 HZ PHE 109 HZ PHE 109 4.131 1.804 10.819 839 H LEU 110 H LEU 110 6.066 -5.006 8.540 840 HA LEU 110 HA LEU 110 3.871 -4.850 10.311 841 HB2 LEU 110 1HB LEU 110 4.784 -7.105 8.531 842 HB3 LEU 110 2HB LEU 110 3.223 -7.034 9.346 843 HG LEU 110 HG LEU 110 4.071 -4.912 7.399 844 HD11 LEU 110 1HD1 LEU 110 2.302 -7.104 6.493 845 HD12 LEU 110 2HD1 LEU 110 4.029 -7.446 6.584 846 HD13 LEU 110 3HD1 LEU 110 3.445 -6.116 5.584 847 HD21 LEU 110 1HD2 LEU 110 1.275 -5.790 7.712 848 HD22 LEU 110 2HD2 LEU 110 1.946 -4.168 7.545 849 HD23 LEU 110 3HD2 LEU 110 1.993 -4.985 9.107 850 H GLU 111 H GLU 111 6.280 -7.468 9.997 851 HA GLU 111 HA GLU 111 5.710 -9.021 12.113 852 HB2 GLU 111 1HB GLU 111 8.395 -8.117 11.101 853 HB3 GLU 111 2HB GLU 111 8.256 -9.278 12.415 854 HG2 GLU 111 1HG GLU 111 6.652 -10.482 10.690 855 HG3 GLU 111 2HG GLU 111 7.634 -9.584 9.534 856 H SER 112 H SER 112 7.327 -5.891 12.280 857 HA SER 112 HA SER 112 7.949 -5.979 15.036 858 HB2 SER 112 1HB SER 112 7.549 -3.638 13.162 859 HB3 SER 112 2HB SER 112 8.154 -3.486 14.811 860 HG SER 112 HG SER 112 9.359 -4.762 12.599 861 H GLY 113 H GLY 113 5.183 -4.658 13.248 862 HA2 GLY 113 1HA GLY 113 2.974 -4.916 14.261 863 HA3 GLY 113 2HA GLY 113 3.719 -4.555 15.812 864 H GLY 114 H GLY 114 4.472 -2.805 12.869 865 HA2 GLY 114 1HA GLY 114 3.862 -0.682 12.167 866 HA3 GLY 114 2HA GLY 114 2.650 -0.647 13.439 867 H GLN 115 H GLN 115 6.185 -1.035 13.554 868 HA GLN 115 HA GLN 115 6.275 1.082 15.573 869 HB2 GLN 115 1HB GLN 115 8.390 -0.910 14.736 870 HB3 GLN 115 2HB GLN 115 8.545 0.251 16.048 871 HG2 GLN 115 1HG GLN 115 6.412 -0.896 16.973 872 HG3 GLN 115 2HG GLN 115 6.867 -2.211 15.891 873 HE21 GLN 115 1HE2 GLN 115 7.973 -3.739 16.857 874 HE22 GLN 115 2HE2 GLN 115 9.088 -3.532 18.160 875 H SER 116 H SER 116 6.242 2.978 14.442 876 HA SER 116 HA SER 116 8.300 3.361 12.377 877 HB2 SER 116 1HB SER 116 6.973 5.185 11.532 878 HB3 SER 116 2HB SER 116 5.905 3.800 11.757 879 HG SER 116 HG SER 116 5.348 4.762 13.819 880 H GLY 117 H GLY 117 9.919 4.785 12.661 881 HA2 GLY 117 1HA GLY 117 10.514 5.770 15.235 882 HA3 GLY 117 2HA GLY 117 11.347 6.212 13.752 883 HA PRO 118 HA PRO 118 8.646 9.721 15.513 884 HB2 PRO 118 1HB PRO 118 10.616 11.239 16.603 885 HB3 PRO 118 2HB PRO 118 9.741 10.002 17.513 886 HG2 PRO 118 1HG PRO 118 12.432 9.847 16.211 887 HG3 PRO 118 2HG PRO 118 11.923 9.251 17.802 888 HD2 PRO 118 1HD PRO 118 12.167 7.629 15.647 889 HD3 PRO 118 2HD PRO 118 10.962 7.350 16.921 890 H SER 119 H SER 119 8.292 10.369 13.396 891 HA SER 119 HA SER 119 10.373 12.106 12.239 892 HB2 SER 119 1HB SER 119 8.389 10.379 10.738 893 HB3 SER 119 2HB SER 119 9.570 11.464 10.003 894 HG SER 119 HG SER 119 9.953 9.008 11.287 895 H SER 120 H SER 120 9.615 13.915 10.999 896 HA SER 120 HA SER 120 6.820 14.625 11.100 897 HB2 SER 120 1HB SER 120 8.865 16.050 12.802 898 HB3 SER 120 2HB SER 120 7.352 16.811 12.310 899 HG SER 120 HG SER 120 7.200 14.273 13.449 900 H GLY 121 H GLY 121 6.314 16.481 9.833 901 HA2 GLY 121 1HA GLY 121 7.534 18.407 8.625 902 HA3 GLY 121 2HA GLY 121 8.422 17.091 7.871 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -17.156 -11.138 13.994 2 HA2 GLY 1 1HA GLY 1 -16.529 -9.396 11.981 3 HA3 GLY 1 2HA GLY 1 -15.394 -10.574 12.622 4 H SER 2 H SER 2 -16.212 -9.443 9.839 5 HA SER 2 HA SER 2 -17.091 -11.696 8.341 6 HB2 SER 2 1HB SER 2 -16.453 -10.346 6.365 7 HB3 SER 2 2HB SER 2 -17.427 -9.423 7.510 8 HG SER 2 HG SER 2 -15.752 -8.188 7.965 9 H SER 3 H SER 3 -15.979 -13.334 7.477 10 HA SER 3 HA SER 3 -13.052 -13.142 7.328 11 HB2 SER 3 1HB SER 3 -14.686 -15.171 8.796 12 HB3 SER 3 2HB SER 3 -13.190 -15.693 8.020 13 HG SER 3 HG SER 3 -12.676 -15.052 10.079 14 H GLY 4 H GLY 4 -12.145 -14.050 5.551 15 HA2 GLY 4 1HA GLY 4 -12.503 -16.044 3.962 16 HA3 GLY 4 2HA GLY 4 -14.016 -15.225 3.604 17 H SER 5 H SER 5 -10.512 -14.600 3.709 18 HA SER 5 HA SER 5 -10.750 -12.473 1.772 19 HB2 SER 5 1HB SER 5 -9.062 -12.118 3.392 20 HB3 SER 5 2HB SER 5 -8.418 -13.748 3.198 21 HG SER 5 HG SER 5 -7.393 -11.750 2.102 22 H SER 6 H SER 6 -11.515 -13.391 -0.113 23 HA SER 6 HA SER 6 -10.337 -15.726 -1.272 24 HB2 SER 6 1HB SER 6 -12.648 -15.246 -1.763 25 HB3 SER 6 2HB SER 6 -12.233 -13.651 -2.391 26 HG SER 6 HG SER 6 -11.228 -16.048 -3.514 27 H GLY 7 H GLY 7 -8.112 -15.225 -1.391 28 HA2 GLY 7 1HA GLY 7 -6.779 -14.761 -3.525 29 HA3 GLY 7 2HA GLY 7 -7.397 -13.127 -3.335 30 HA PRO 8 HA PRO 8 -3.284 -13.644 -1.120 31 HB2 PRO 8 1HB PRO 8 -1.939 -11.767 -2.547 32 HB3 PRO 8 2HB PRO 8 -2.017 -13.465 -3.028 33 HG2 PRO 8 1HG PRO 8 -3.613 -11.138 -4.027 34 HG3 PRO 8 2HG PRO 8 -2.870 -12.461 -4.944 35 HD2 PRO 8 1HD PRO 8 -5.508 -12.413 -4.334 36 HD3 PRO 8 2HD PRO 8 -4.586 -13.924 -4.466 37 H VAL 9 H VAL 9 -4.605 -10.610 -2.462 38 HA VAL 9 HA VAL 9 -4.327 -9.415 0.220 39 HB VAL 9 HB VAL 9 -2.772 -8.212 -1.019 40 HG11 VAL 9 1HG1 VAL 9 -2.959 -7.574 -3.300 41 HG12 VAL 9 2HG1 VAL 9 -3.468 -9.260 -3.198 42 HG13 VAL 9 3HG1 VAL 9 -4.674 -7.981 -3.342 43 HG21 VAL 9 1HG2 VAL 9 -3.542 -6.134 -0.687 44 HG22 VAL 9 2HG2 VAL 9 -4.881 -6.347 -1.815 45 HG23 VAL 9 3HG2 VAL 9 -5.026 -6.927 -0.156 46 H LYS 10 H LYS 10 -6.085 -8.474 1.082 47 HA LYS 10 HA LYS 10 -8.629 -8.884 -0.120 48 HB2 LYS 10 1HB LYS 10 -7.832 -8.609 2.424 49 HB3 LYS 10 2HB LYS 10 -8.354 -6.956 2.125 50 HG2 LYS 10 1HG LYS 10 -10.477 -8.264 1.153 51 HG3 LYS 10 2HG LYS 10 -9.936 -9.435 2.358 52 HD2 LYS 10 1HD LYS 10 -10.063 -6.595 3.195 53 HD3 LYS 10 2HD LYS 10 -11.599 -7.425 2.936 54 HE2 LYS 10 1HE LYS 10 -11.276 -7.970 5.119 55 HE3 LYS 10 2HE LYS 10 -10.380 -9.295 4.380 56 HZ1 LYS 10 1HZ LYS 10 -9.318 -7.869 6.262 57 HZ2 LYS 10 2HZ LYS 10 -8.966 -6.799 4.999 58 HZ3 LYS 10 3HZ LYS 10 -8.378 -8.385 4.953 59 H VAL 11 H VAL 11 -10.175 -7.310 -0.750 60 HA VAL 11 HA VAL 11 -8.959 -4.807 -1.721 61 HB VAL 11 HB VAL 11 -11.362 -6.257 -2.840 62 HG11 VAL 11 1HG1 VAL 11 -11.821 -4.376 -3.923 63 HG12 VAL 11 2HG1 VAL 11 -10.464 -3.574 -3.128 64 HG13 VAL 11 3HG1 VAL 11 -10.220 -4.411 -4.662 65 HG21 VAL 11 1HG2 VAL 11 -9.640 -6.415 -4.827 66 HG22 VAL 11 2HG2 VAL 11 -8.463 -6.315 -3.518 67 HG23 VAL 11 3HG2 VAL 11 -9.654 -7.616 -3.536 68 H LEU 12 H LEU 12 -9.486 -3.175 -0.420 69 HA LEU 12 HA LEU 12 -12.033 -3.162 0.984 70 HB2 LEU 12 1HB LEU 12 -9.796 -1.144 1.059 71 HB3 LEU 12 2HB LEU 12 -11.165 -1.237 2.165 72 HG LEU 12 HG LEU 12 -9.085 -3.402 1.923 73 HD11 LEU 12 1HD1 LEU 12 -9.076 -0.857 3.441 74 HD12 LEU 12 2HD1 LEU 12 -7.735 -1.780 2.764 75 HD13 LEU 12 3HD1 LEU 12 -8.497 -2.305 4.265 76 HD21 LEU 12 1HD2 LEU 12 -10.409 -3.138 4.458 77 HD22 LEU 12 2HD2 LEU 12 -10.339 -4.525 3.370 78 HD23 LEU 12 3HD2 LEU 12 -11.595 -3.304 3.162 79 H VAL 13 H VAL 13 -13.594 -1.543 0.790 80 HA VAL 13 HA VAL 13 -13.350 0.191 -1.579 81 HB VAL 13 HB VAL 13 -15.834 -0.108 -1.886 82 HG11 VAL 13 1HG1 VAL 13 -14.166 -1.208 -3.317 83 HG12 VAL 13 2HG1 VAL 13 -14.149 -2.589 -2.218 84 HG13 VAL 13 3HG1 VAL 13 -15.616 -2.191 -3.114 85 HG21 VAL 13 1HG2 VAL 13 -17.051 -1.395 -0.533 86 HG22 VAL 13 2HG2 VAL 13 -15.895 -2.723 -0.636 87 HG23 VAL 13 3HG2 VAL 13 -15.653 -1.433 0.542 88 H GLY 14 H GLY 14 -14.866 2.053 -1.545 89 HA2 GLY 14 1HA GLY 14 -14.620 3.489 0.878 90 HA3 GLY 14 2HA GLY 14 -15.559 3.988 -0.522 91 H LYS 15 H LYS 15 -16.882 1.160 -0.056 92 HA LYS 15 HA LYS 15 -19.112 2.239 1.423 93 HB2 LYS 15 1HB LYS 15 -19.452 0.823 -0.571 94 HB3 LYS 15 2HB LYS 15 -18.697 -0.525 0.268 95 HG2 LYS 15 1HG LYS 15 -20.887 -1.022 0.620 96 HG3 LYS 15 2HG LYS 15 -20.576 -0.029 2.046 97 HD2 LYS 15 1HD LYS 15 -22.606 0.768 1.151 98 HD3 LYS 15 2HD LYS 15 -21.383 1.945 0.666 99 HE2 LYS 15 1HE LYS 15 -22.440 1.666 -1.333 100 HE3 LYS 15 2HE LYS 15 -21.247 0.375 -1.461 101 HZ1 LYS 15 1HZ LYS 15 -23.667 -0.167 -2.000 102 HZ2 LYS 15 2HZ LYS 15 -23.925 -0.135 -0.329 103 HZ3 LYS 15 3HZ LYS 15 -22.829 -1.239 -0.994 104 H ASN 16 H ASN 16 -16.823 -0.450 1.837 105 HA ASN 16 HA ASN 16 -17.389 -0.364 4.723 106 HB2 ASN 16 1HB ASN 16 -17.149 -2.826 4.805 107 HB3 ASN 16 2HB ASN 16 -18.521 -2.324 3.821 108 HD21 ASN 16 1HD2 ASN 16 -15.261 -3.579 3.761 109 HD22 ASN 16 2HD2 ASN 16 -15.333 -4.225 2.160 110 H PHE 17 H PHE 17 -15.301 0.985 3.415 111 HA PHE 17 HA PHE 17 -12.874 -0.443 3.372 112 HB2 PHE 17 1HB PHE 17 -12.641 1.554 2.271 113 HB3 PHE 17 2HB PHE 17 -13.658 2.425 3.414 114 HD1 PHE 17 2HD PHE 17 -10.363 0.677 3.314 115 HD2 PHE 17 1HD PHE 17 -12.647 3.948 4.797 116 HE1 PHE 17 2HE PHE 17 -8.352 1.583 4.404 117 HE2 PHE 17 1HE PHE 17 -10.639 4.860 5.888 118 HZ PHE 17 HZ PHE 17 -8.488 3.676 5.694 119 H GLU 18 H GLU 18 -13.890 1.986 5.781 120 HA GLU 18 HA GLU 18 -11.949 1.393 7.678 121 HB2 GLU 18 1HB GLU 18 -14.738 2.496 8.029 122 HB3 GLU 18 2HB GLU 18 -13.550 2.431 9.323 123 HG2 GLU 18 1HG GLU 18 -12.295 4.112 8.451 124 HG3 GLU 18 2HG GLU 18 -12.747 3.738 6.789 125 H ASP 19 H ASP 19 -15.237 0.099 7.355 126 HA ASP 19 HA ASP 19 -15.410 -1.435 9.627 127 HB2 ASP 19 1HB ASP 19 -17.048 -1.092 7.573 128 HB3 ASP 19 2HB ASP 19 -16.365 -2.635 7.065 129 H VAL 20 H VAL 20 -13.696 -2.153 6.637 130 HA VAL 20 HA VAL 20 -12.796 -4.715 7.744 131 HB VAL 20 HB VAL 20 -12.422 -3.605 4.959 132 HG11 VAL 20 1HG1 VAL 20 -11.855 -6.335 6.108 133 HG12 VAL 20 2HG1 VAL 20 -11.775 -5.920 4.395 134 HG13 VAL 20 3HG1 VAL 20 -10.666 -5.164 5.540 135 HG21 VAL 20 1HG2 VAL 20 -14.783 -4.104 5.590 136 HG22 VAL 20 2HG2 VAL 20 -14.171 -5.087 4.260 137 HG23 VAL 20 3HG2 VAL 20 -14.301 -5.776 5.878 138 H ALA 21 H ALA 21 -11.775 -1.505 7.304 139 HA ALA 21 HA ALA 21 -8.937 -2.170 7.291 140 HB1 ALA 21 1HB ALA 21 -8.911 0.489 7.472 141 HB2 ALA 21 2HB ALA 21 -9.139 -0.357 5.941 142 HB3 ALA 21 3HB ALA 21 -10.534 0.278 6.814 143 H PHE 22 H PHE 22 -10.977 0.021 9.239 144 HA PHE 22 HA PHE 22 -9.116 -0.086 11.432 145 HB2 PHE 22 1HB PHE 22 -11.812 1.234 11.100 146 HB3 PHE 22 2HB PHE 22 -10.862 1.339 12.578 147 HD1 PHE 22 2HD PHE 22 -8.698 2.520 12.575 148 HD2 PHE 22 1HD PHE 22 -11.265 2.516 9.180 149 HE1 PHE 22 2HE PHE 22 -7.470 4.440 11.649 150 HE2 PHE 22 1HE PHE 22 -10.040 4.436 8.248 151 HZ PHE 22 HZ PHE 22 -8.141 5.402 9.483 152 H ASP 23 H ASP 23 -9.195 -2.383 11.823 153 HA ASP 23 HA ASP 23 -11.629 -3.249 13.240 154 HB2 ASP 23 1HB ASP 23 -9.702 -4.676 11.482 155 HB3 ASP 23 2HB ASP 23 -10.367 -5.576 12.842 156 H GLU 24 H GLU 24 -11.334 -4.592 15.134 157 HA GLU 24 HA GLU 24 -9.078 -3.671 16.726 158 HB2 GLU 24 1HB GLU 24 -11.228 -3.470 17.773 159 HB3 GLU 24 2HB GLU 24 -11.611 -5.152 17.436 160 HG2 GLU 24 1HG GLU 24 -10.281 -5.941 19.126 161 HG3 GLU 24 2HG GLU 24 -9.229 -4.527 19.106 162 H LYS 25 H LYS 25 -7.769 -5.103 17.972 163 HA LYS 25 HA LYS 25 -6.274 -6.831 18.051 164 HB2 LYS 25 1HB LYS 25 -8.945 -8.217 17.931 165 HB3 LYS 25 2HB LYS 25 -7.446 -9.113 18.144 166 HG2 LYS 25 1HG LYS 25 -8.073 -6.835 19.965 167 HG3 LYS 25 2HG LYS 25 -8.851 -8.400 20.211 168 HD2 LYS 25 1HD LYS 25 -6.804 -9.480 20.599 169 HD3 LYS 25 2HD LYS 25 -5.873 -8.150 19.906 170 HE2 LYS 25 1HE LYS 25 -7.533 -7.869 22.401 171 HE3 LYS 25 2HE LYS 25 -5.835 -8.345 22.427 172 HZ1 LYS 25 1HZ LYS 25 -6.634 -5.904 20.996 173 HZ2 LYS 25 2HZ LYS 25 -5.153 -6.285 21.719 174 HZ3 LYS 25 3HZ LYS 25 -6.481 -5.866 22.681 175 H LYS 26 H LYS 26 -6.589 -5.750 15.449 176 HA LYS 26 HA LYS 26 -5.565 -7.971 13.908 177 HB2 LYS 26 1HB LYS 26 -7.854 -8.289 13.358 178 HB3 LYS 26 2HB LYS 26 -8.126 -6.562 13.172 179 HG2 LYS 26 1HG LYS 26 -8.065 -7.332 10.991 180 HG3 LYS 26 2HG LYS 26 -6.430 -6.716 11.244 181 HD2 LYS 26 1HD LYS 26 -6.160 -8.801 10.176 182 HD3 LYS 26 2HD LYS 26 -5.794 -9.094 11.878 183 HE2 LYS 26 1HE LYS 26 -7.185 -10.875 11.016 184 HE3 LYS 26 2HE LYS 26 -8.087 -9.932 12.201 185 HZ1 LYS 26 1HZ LYS 26 -8.674 -10.400 9.462 186 HZ2 LYS 26 2HZ LYS 26 -8.594 -8.740 9.776 187 HZ3 LYS 26 3HZ LYS 26 -9.651 -9.719 10.664 188 H ASN 27 H ASN 27 -3.783 -7.211 12.997 189 HA ASN 27 HA ASN 27 -3.487 -4.355 12.535 190 HB2 ASN 27 1HB ASN 27 -1.445 -6.540 12.093 191 HB3 ASN 27 2HB ASN 27 -1.142 -4.809 12.223 192 HD21 ASN 27 1HD2 ASN 27 -1.914 -7.725 13.941 193 HD22 ASN 27 2HD2 ASN 27 -1.593 -7.117 15.526 194 H VAL 28 H VAL 28 -4.703 -3.892 10.732 195 HA VAL 28 HA VAL 28 -4.205 -5.407 8.280 196 HB VAL 28 HB VAL 28 -6.205 -3.203 8.802 197 HG11 VAL 28 1HG1 VAL 28 -6.007 -5.108 6.473 198 HG12 VAL 28 2HG1 VAL 28 -7.198 -3.825 6.692 199 HG13 VAL 28 3HG1 VAL 28 -5.500 -3.419 6.441 200 HG21 VAL 28 1HG2 VAL 28 -6.320 -6.165 9.065 201 HG22 VAL 28 2HG2 VAL 28 -7.061 -4.914 10.063 202 HG23 VAL 28 3HG2 VAL 28 -7.753 -5.312 8.491 203 H PHE 29 H PHE 29 -3.010 -4.656 6.643 204 HA PHE 29 HA PHE 29 -2.004 -1.896 6.837 205 HB2 PHE 29 1HB PHE 29 -0.289 -3.678 7.032 206 HB3 PHE 29 2HB PHE 29 -0.741 -4.259 5.432 207 HD1 PHE 29 1HD PHE 29 -0.814 -0.690 5.970 208 HD2 PHE 29 2HD PHE 29 1.632 -3.965 4.784 209 HE1 PHE 29 1HE PHE 29 0.786 0.878 4.952 210 HE2 PHE 29 2HE PHE 29 3.237 -2.402 3.765 211 HZ PHE 29 HZ PHE 29 2.815 0.023 3.849 212 H VAL 30 H VAL 30 -3.377 -0.721 5.606 213 HA VAL 30 HA VAL 30 -4.345 -1.701 3.066 214 HB VAL 30 HB VAL 30 -4.642 1.085 4.187 215 HG11 VAL 30 1HG1 VAL 30 -5.422 1.318 2.072 216 HG12 VAL 30 2HG1 VAL 30 -5.775 -0.402 1.894 217 HG13 VAL 30 3HG1 VAL 30 -6.880 0.638 2.794 218 HG21 VAL 30 1HG2 VAL 30 -5.572 -0.181 5.888 219 HG22 VAL 30 2HG2 VAL 30 -6.961 0.118 4.843 220 HG23 VAL 30 3HG2 VAL 30 -6.134 -1.438 4.786 221 H GLU 31 H GLU 31 -4.010 -0.620 1.044 222 HA GLU 31 HA GLU 31 -1.589 1.035 0.900 223 HB2 GLU 31 1HB GLU 31 -0.674 -1.012 0.274 224 HB3 GLU 31 2HB GLU 31 -2.145 -1.535 -0.535 225 HG2 GLU 31 1HG GLU 31 -1.711 0.191 -2.280 226 HG3 GLU 31 2HG GLU 31 -0.157 0.500 -1.508 227 H PHE 32 H PHE 32 -2.452 2.921 0.260 228 HA PHE 32 HA PHE 32 -4.643 3.047 -1.602 229 HB2 PHE 32 1HB PHE 32 -2.919 5.228 -0.409 230 HB3 PHE 32 2HB PHE 32 -4.353 5.506 -1.391 231 HD1 PHE 32 1HD PHE 32 -6.579 4.796 -0.538 232 HD2 PHE 32 2HD PHE 32 -3.081 4.710 1.885 233 HE1 PHE 32 1HE PHE 32 -7.984 4.683 1.480 234 HE2 PHE 32 2HE PHE 32 -4.479 4.596 3.906 235 HZ PHE 32 HZ PHE 32 -6.934 4.582 3.705 236 H TYR 33 H TYR 33 -4.067 2.314 -3.592 237 HA TYR 33 HA TYR 33 -1.732 3.555 -4.880 238 HB2 TYR 33 1HB TYR 33 -1.691 1.679 -6.392 239 HB3 TYR 33 2HB TYR 33 -1.777 1.061 -4.746 240 HD1 TYR 33 2HD TYR 33 -3.839 1.765 -7.754 241 HD2 TYR 33 1HD TYR 33 -3.503 -0.394 -4.103 242 HE1 TYR 33 2HE TYR 33 -5.821 0.441 -8.362 243 HE2 TYR 33 1HE TYR 33 -5.483 -1.725 -4.701 244 HH TYR 33 HH TYR 33 -6.708 -1.942 -7.722 245 H ALA 34 H ALA 34 -2.092 3.589 -7.404 246 HA ALA 34 HA ALA 34 -4.755 4.719 -7.953 247 HB1 ALA 34 1HB ALA 34 -2.413 5.904 -9.334 248 HB2 ALA 34 2HB ALA 34 -3.931 6.649 -8.829 249 HB3 ALA 34 3HB ALA 34 -2.668 6.328 -7.641 250 HA PRO 35 HA PRO 35 -4.726 1.924 -11.370 251 HB2 PRO 35 1HB PRO 35 -6.756 3.037 -12.789 252 HB3 PRO 35 2HB PRO 35 -7.017 2.091 -11.319 253 HG2 PRO 35 1HG PRO 35 -6.940 5.063 -11.671 254 HG3 PRO 35 2HG PRO 35 -8.062 4.078 -10.714 255 HD2 PRO 35 1HD PRO 35 -5.978 5.405 -9.605 256 HD3 PRO 35 2HD PRO 35 -6.578 3.861 -8.964 257 H TRP 36 H TRP 36 -3.813 5.156 -11.502 258 HA TRP 36 HA TRP 36 -2.967 4.866 -14.310 259 HB2 TRP 36 1HB TRP 36 -2.975 7.495 -14.169 260 HB3 TRP 36 2HB TRP 36 -4.462 6.613 -14.502 261 HD1 TRP 36 HD TRP 36 -6.364 6.668 -12.662 262 HE1 TRP 36 1HE TRP 36 -6.717 8.106 -10.556 263 HE3 TRP 36 3HE TRP 36 -1.673 8.656 -12.241 264 HZ2 TRP 36 2HZ TRP 36 -5.206 9.851 -8.931 265 HZ3 TRP 36 3HZ TRP 36 -1.209 10.201 -10.383 266 HH2 TRP 36 HH TRP 36 -2.940 10.786 -8.764 267 H CYS 37 H CYS 37 -2.201 6.246 -11.143 268 HA CYS 37 HA CYS 37 0.197 7.428 -11.504 269 HB2 CYS 37 1HB CYS 37 -0.878 7.182 -9.309 270 HB3 CYS 37 2HB CYS 37 -0.454 5.475 -9.287 271 HG CYS 37 HG CYS 37 1.171 7.681 -7.831 272 H GLY 38 H GLY 38 2.098 6.898 -12.354 273 HA2 GLY 38 1HA GLY 38 2.621 4.352 -13.440 274 HA3 GLY 38 2HA GLY 38 3.797 5.645 -13.255 275 H HIS 39 H HIS 39 4.097 5.961 -10.622 276 HA HIS 39 HA HIS 39 5.795 3.909 -9.854 277 HB2 HIS 39 1HB HIS 39 4.333 5.887 -8.093 278 HB3 HIS 39 2HB HIS 39 5.710 4.911 -7.589 279 HD1 HIS 39 1HD HIS 39 5.443 8.149 -7.887 280 HD2 HIS 39 2HD HIS 39 7.555 5.516 -10.309 281 HE1 HIS 39 1HE HIS 39 7.222 9.537 -8.996 282 HE2 HIS 39 2HE HIS 39 8.433 7.940 -10.522 283 H CYS 40 H CYS 40 2.369 4.357 -9.190 284 HA CYS 40 HA CYS 40 2.108 2.299 -7.273 285 HB2 CYS 40 1HB CYS 40 0.094 3.558 -9.142 286 HB3 CYS 40 2HB CYS 40 -0.334 2.399 -7.889 287 HG CYS 40 HG CYS 40 -0.007 3.983 -5.789 288 H LYS 41 H LYS 41 1.691 2.353 -10.789 289 HA LYS 41 HA LYS 41 0.673 -0.162 -11.233 290 HB2 LYS 41 1HB LYS 41 2.668 1.435 -12.835 291 HB3 LYS 41 2HB LYS 41 1.977 -0.076 -13.413 292 HG2 LYS 41 1HG LYS 41 -0.238 0.867 -13.370 293 HG3 LYS 41 2HG LYS 41 0.375 2.356 -12.648 294 HD2 LYS 41 1HD LYS 41 1.682 2.812 -14.646 295 HD3 LYS 41 2HD LYS 41 1.148 1.291 -15.364 296 HE2 LYS 41 1HE LYS 41 -0.660 3.576 -14.582 297 HE3 LYS 41 2HE LYS 41 -0.096 3.243 -16.219 298 HZ1 LYS 41 1HZ LYS 41 -1.253 1.163 -16.205 299 HZ2 LYS 41 2HZ LYS 41 -2.342 2.377 -15.759 300 HZ3 LYS 41 3HZ LYS 41 -1.693 1.350 -14.582 301 H GLN 42 H GLN 42 3.833 0.712 -10.137 302 HA GLN 42 HA GLN 42 4.981 -1.884 -10.722 303 HB2 GLN 42 1HB GLN 42 6.038 0.579 -9.342 304 HB3 GLN 42 2HB GLN 42 6.950 -0.922 -9.426 305 HG2 GLN 42 1HG GLN 42 5.894 0.353 -11.914 306 HG3 GLN 42 2HG GLN 42 7.386 0.925 -11.171 307 HE21 GLN 42 1HE2 GLN 42 6.876 -0.418 -13.748 308 HE22 GLN 42 2HE2 GLN 42 7.900 -1.809 -13.752 309 H LEU 43 H LEU 43 3.392 -0.280 -8.108 310 HA LEU 43 HA LEU 43 4.339 -2.094 -6.074 311 HB2 LEU 43 1HB LEU 43 3.575 0.363 -5.812 312 HB3 LEU 43 2HB LEU 43 1.947 -0.313 -5.799 313 HG LEU 43 HG LEU 43 2.626 -1.706 -3.838 314 HD11 LEU 43 1HD1 LEU 43 4.776 -1.877 -3.331 315 HD12 LEU 43 2HD1 LEU 43 4.769 -0.176 -2.867 316 HD13 LEU 43 3HD1 LEU 43 5.196 -0.638 -4.514 317 HD21 LEU 43 1HD2 LEU 43 2.712 0.282 -2.254 318 HD22 LEU 43 2HD2 LEU 43 1.339 0.202 -3.358 319 HD23 LEU 43 3HD2 LEU 43 2.682 1.295 -3.698 320 H ALA 44 H ALA 44 1.859 -2.071 -8.416 321 HA ALA 44 HA ALA 44 -0.222 -3.458 -7.269 322 HB1 ALA 44 1HB ALA 44 -0.977 -3.358 -9.351 323 HB2 ALA 44 2HB ALA 44 0.616 -2.826 -9.891 324 HB3 ALA 44 3HB ALA 44 0.222 -4.545 -9.867 325 HA PRO 45 HA PRO 45 2.033 -7.624 -8.282 326 HB2 PRO 45 1HB PRO 45 4.686 -7.474 -8.835 327 HB3 PRO 45 2HB PRO 45 3.438 -7.376 -10.083 328 HG2 PRO 45 1HG PRO 45 4.965 -5.171 -8.753 329 HG3 PRO 45 2HG PRO 45 4.553 -5.372 -10.466 330 HD2 PRO 45 1HD PRO 45 3.173 -3.724 -8.820 331 HD3 PRO 45 2HD PRO 45 2.408 -4.582 -10.173 332 H ILE 46 H ILE 46 4.418 -5.329 -6.940 333 HA ILE 46 HA ILE 46 5.527 -7.013 -5.030 334 HB ILE 46 HB ILE 46 5.136 -4.028 -4.784 335 HG12 ILE 46 1HG1 ILE 46 7.694 -5.271 -5.681 336 HG13 ILE 46 2HG1 ILE 46 6.378 -5.167 -6.844 337 HG21 ILE 46 1HG2 ILE 46 6.211 -4.155 -2.848 338 HG22 ILE 46 2HG2 ILE 46 6.188 -5.914 -2.971 339 HG23 ILE 46 3HG2 ILE 46 7.551 -5.002 -3.619 340 HD11 ILE 46 1HD1 ILE 46 8.165 -3.113 -5.880 341 HD12 ILE 46 2HD1 ILE 46 7.106 -3.124 -7.291 342 HD13 ILE 46 3HD1 ILE 46 6.472 -2.647 -5.716 343 H TRP 47 H TRP 47 2.643 -4.993 -4.861 344 HA TRP 47 HA TRP 47 2.173 -5.434 -2.082 345 HB2 TRP 47 1HB TRP 47 1.283 -3.504 -3.470 346 HB3 TRP 47 2HB TRP 47 0.117 -4.638 -4.145 347 HD1 TRP 47 HD TRP 47 -2.125 -4.699 -2.921 348 HE1 TRP 47 1HE TRP 47 -2.969 -4.055 -0.576 349 HE3 TRP 47 3HE TRP 47 2.329 -3.370 -0.792 350 HZ2 TRP 47 2HZ TRP 47 -1.889 -3.108 1.854 351 HZ3 TRP 47 3HZ TRP 47 2.337 -2.605 1.547 352 HH2 TRP 47 HH TRP 47 0.270 -2.477 2.840 353 H ASP 48 H ASP 48 1.145 -7.004 -5.053 354 HA ASP 48 HA ASP 48 -0.806 -8.684 -3.822 355 HB2 ASP 48 1HB ASP 48 -1.209 -8.474 -6.085 356 HB3 ASP 48 2HB ASP 48 0.501 -8.538 -6.503 357 H LYS 49 H LYS 49 2.626 -8.848 -4.288 358 HA LYS 49 HA LYS 49 2.836 -11.676 -3.809 359 HB2 LYS 49 1HB LYS 49 4.833 -9.434 -4.014 360 HB3 LYS 49 2HB LYS 49 5.319 -11.053 -3.529 361 HG2 LYS 49 1HG LYS 49 4.981 -11.930 -5.606 362 HG3 LYS 49 2HG LYS 49 3.725 -10.759 -6.017 363 HD2 LYS 49 1HD LYS 49 5.553 -10.158 -7.356 364 HD3 LYS 49 2HD LYS 49 5.597 -9.017 -6.010 365 HE2 LYS 49 1HE LYS 49 7.403 -10.115 -4.996 366 HE3 LYS 49 2HE LYS 49 7.170 -11.573 -5.959 367 HZ1 LYS 49 1HZ LYS 49 9.070 -9.969 -6.560 368 HZ2 LYS 49 2HZ LYS 49 7.858 -9.027 -7.270 369 HZ3 LYS 49 3HZ LYS 49 8.124 -10.608 -7.808 370 H LEU 50 H LEU 50 2.829 -8.782 -1.891 371 HA LEU 50 HA LEU 50 3.897 -10.090 0.460 372 HB2 LEU 50 1HB LEU 50 4.519 -7.897 0.506 373 HB3 LEU 50 2HB LEU 50 3.033 -7.347 -0.266 374 HG LEU 50 HG LEU 50 1.887 -7.853 1.956 375 HD11 LEU 50 1HD1 LEU 50 3.120 -8.895 3.483 376 HD12 LEU 50 2HD1 LEU 50 4.007 -7.384 3.681 377 HD13 LEU 50 3HD1 LEU 50 4.606 -8.620 2.575 378 HD21 LEU 50 1HD2 LEU 50 3.943 -5.689 2.198 379 HD22 LEU 50 2HD2 LEU 50 2.253 -5.685 2.703 380 HD23 LEU 50 3HD2 LEU 50 2.662 -5.589 0.989 381 H GLY 51 H GLY 51 0.765 -9.047 -0.775 382 HA2 GLY 51 1HA GLY 51 -0.763 -9.403 1.542 383 HA3 GLY 51 2HA GLY 51 -1.373 -9.533 -0.101 384 H GLU 52 H GLU 52 0.103 -11.730 -0.991 385 HA GLU 52 HA GLU 52 -1.465 -13.859 -0.036 386 HB2 GLU 52 1HB GLU 52 -0.401 -15.175 -1.611 387 HB3 GLU 52 2HB GLU 52 -0.166 -13.567 -2.282 388 HG2 GLU 52 1HG GLU 52 2.086 -13.493 -1.418 389 HG3 GLU 52 2HG GLU 52 1.861 -15.051 -0.626 390 H THR 53 H THR 53 1.618 -12.608 0.959 391 HA THR 53 HA THR 53 2.548 -14.885 2.364 392 HB THR 53 HB THR 53 3.202 -11.971 2.846 393 HG1 THR 53 1HG THR 53 4.516 -13.952 1.267 394 HG21 THR 53 1HG2 THR 53 3.756 -13.661 4.678 395 HG22 THR 53 2HG2 THR 53 5.090 -12.685 4.064 396 HG23 THR 53 3HG2 THR 53 4.902 -14.356 3.533 397 H TYR 54 H TYR 54 0.595 -12.096 3.304 398 HA TYR 54 HA TYR 54 0.154 -13.365 5.926 399 HB2 TYR 54 1HB TYR 54 -0.196 -10.450 5.203 400 HB3 TYR 54 2HB TYR 54 -0.359 -11.158 6.806 401 HD1 TYR 54 2HD TYR 54 2.081 -10.487 4.092 402 HD2 TYR 54 1HD TYR 54 1.515 -11.414 8.206 403 HE1 TYR 54 2HE TYR 54 4.472 -10.084 4.506 404 HE2 TYR 54 1HE TYR 54 3.904 -11.012 8.631 405 HH TYR 54 HH TYR 54 5.771 -9.800 7.643 406 H LYS 55 H LYS 55 -1.244 -14.048 3.488 407 HA LYS 55 HA LYS 55 -3.834 -12.816 3.554 408 HB2 LYS 55 1HB LYS 55 -4.413 -14.267 1.789 409 HB3 LYS 55 2HB LYS 55 -2.712 -13.898 1.534 410 HG2 LYS 55 1HG LYS 55 -2.207 -16.062 2.751 411 HG3 LYS 55 2HG LYS 55 -3.926 -16.431 2.594 412 HD2 LYS 55 1HD LYS 55 -3.796 -16.715 0.328 413 HD3 LYS 55 2HD LYS 55 -2.450 -15.586 0.154 414 HE2 LYS 55 1HE LYS 55 -0.883 -17.181 0.880 415 HE3 LYS 55 2HE LYS 55 -2.134 -18.234 1.537 416 HZ1 LYS 55 1HZ LYS 55 -2.921 -18.431 -0.858 417 HZ2 LYS 55 2HZ LYS 55 -1.493 -19.239 -0.447 418 HZ3 LYS 55 3HZ LYS 55 -1.422 -17.777 -1.294 419 H ASP 56 H ASP 56 -2.350 -15.651 4.959 420 HA ASP 56 HA ASP 56 -4.921 -16.315 6.240 421 HB2 ASP 56 1HB ASP 56 -3.712 -18.599 6.599 422 HB3 ASP 56 2HB ASP 56 -4.408 -18.228 5.024 423 H HIS 57 H HIS 57 -2.761 -14.397 7.045 424 HA HIS 57 HA HIS 57 -1.313 -15.447 9.223 425 HB2 HIS 57 1HB HIS 57 -1.279 -13.085 7.904 426 HB3 HIS 57 2HB HIS 57 -2.132 -12.607 9.368 427 HD1 HIS 57 1HD HIS 57 -0.793 -12.553 11.555 428 HD2 HIS 57 2HD HIS 57 1.416 -13.822 8.273 429 HE1 HIS 57 1HE HIS 57 1.605 -12.539 12.312 430 HE2 HIS 57 2HE HIS 57 2.930 -13.228 10.284 431 H GLU 58 H GLU 58 -1.728 -14.084 11.453 432 HA GLU 58 HA GLU 58 -4.390 -14.980 12.305 433 HB2 GLU 58 1HB GLU 58 -3.267 -14.593 14.639 434 HB3 GLU 58 2HB GLU 58 -2.890 -16.034 13.706 435 HG2 GLU 58 1HG GLU 58 -1.207 -13.556 13.562 436 HG3 GLU 58 2HG GLU 58 -0.952 -14.802 14.782 437 H ASN 59 H ASN 59 -2.148 -12.247 12.606 438 HA ASN 59 HA ASN 59 -4.455 -10.547 13.296 439 HB2 ASN 59 1HB ASN 59 -3.022 -9.174 14.657 440 HB3 ASN 59 2HB ASN 59 -2.801 -10.849 15.157 441 HD21 ASN 59 1HD2 ASN 59 -0.849 -11.827 14.876 442 HD22 ASN 59 2HD2 ASN 59 0.566 -10.994 14.339 443 H ILE 60 H ILE 60 -1.626 -10.996 11.338 444 HA ILE 60 HA ILE 60 -1.697 -8.335 10.214 445 HB ILE 60 HB ILE 60 -0.156 -10.739 9.233 446 HG12 ILE 60 1HG1 ILE 60 0.618 -8.577 11.201 447 HG13 ILE 60 2HG1 ILE 60 0.452 -10.297 11.537 448 HG21 ILE 60 1HG2 ILE 60 1.229 -8.382 8.693 449 HG22 ILE 60 2HG2 ILE 60 0.374 -9.403 7.539 450 HG23 ILE 60 3HG2 ILE 60 -0.451 -8.034 8.283 451 HD11 ILE 60 1HD1 ILE 60 2.563 -10.642 10.987 452 HD12 ILE 60 2HD1 ILE 60 2.313 -9.909 9.402 453 HD13 ILE 60 3HD1 ILE 60 2.757 -8.902 10.780 454 H VAL 61 H VAL 61 -3.132 -7.744 8.741 455 HA VAL 61 HA VAL 61 -3.961 -9.703 6.707 456 HB VAL 61 HB VAL 61 -5.695 -7.957 8.408 457 HG11 VAL 61 1HG1 VAL 61 -6.278 -7.177 6.235 458 HG12 VAL 61 2HG1 VAL 61 -6.292 -8.817 5.584 459 HG13 VAL 61 3HG1 VAL 61 -7.530 -8.313 6.736 460 HG21 VAL 61 1HG2 VAL 61 -7.111 -9.970 8.410 461 HG22 VAL 61 2HG2 VAL 61 -5.947 -10.774 7.357 462 HG23 VAL 61 3HG2 VAL 61 -5.479 -10.302 8.991 463 H ILE 62 H ILE 62 -3.077 -8.979 4.879 464 HA ILE 62 HA ILE 62 -2.623 -6.181 4.394 465 HB ILE 62 HB ILE 62 -2.304 -8.535 2.528 466 HG12 ILE 62 1HG1 ILE 62 -0.889 -8.622 4.577 467 HG13 ILE 62 2HG1 ILE 62 0.048 -8.463 3.095 468 HG21 ILE 62 1HG2 ILE 62 -0.978 -5.859 2.254 469 HG22 ILE 62 2HG2 ILE 62 -1.160 -7.134 1.050 470 HG23 ILE 62 3HG2 ILE 62 -2.560 -6.184 1.546 471 HD11 ILE 62 1HD1 ILE 62 -0.678 -6.121 4.828 472 HD12 ILE 62 2HD1 ILE 62 0.802 -7.060 5.034 473 HD13 ILE 62 3HD1 ILE 62 0.511 -6.189 3.528 474 H ALA 63 H ALA 63 -3.658 -4.845 2.958 475 HA ALA 63 HA ALA 63 -5.845 -5.858 1.340 476 HB1 ALA 63 1HB ALA 63 -6.896 -3.592 2.709 477 HB2 ALA 63 2HB ALA 63 -7.514 -5.244 2.664 478 HB3 ALA 63 3HB ALA 63 -6.348 -4.772 3.900 479 H LYS 64 H LYS 64 -6.538 -4.399 -0.276 480 HA LYS 64 HA LYS 64 -4.852 -2.005 -0.593 481 HB2 LYS 64 1HB LYS 64 -4.636 -2.439 -2.952 482 HB3 LYS 64 2HB LYS 64 -4.112 -3.868 -2.071 483 HG2 LYS 64 1HG LYS 64 -6.176 -4.993 -2.558 484 HG3 LYS 64 2HG LYS 64 -6.840 -3.536 -3.299 485 HD2 LYS 64 1HD LYS 64 -5.000 -3.640 -4.981 486 HD3 LYS 64 2HD LYS 64 -4.521 -5.192 -4.289 487 HE2 LYS 64 1HE LYS 64 -6.872 -5.983 -4.742 488 HE3 LYS 64 2HE LYS 64 -7.110 -4.498 -5.661 489 HZ1 LYS 64 1HZ LYS 64 -5.692 -5.177 -7.302 490 HZ2 LYS 64 2HZ LYS 64 -6.335 -6.670 -6.837 491 HZ3 LYS 64 3HZ LYS 64 -4.805 -6.202 -6.290 492 H MET 65 H MET 65 -5.821 -0.194 -1.447 493 HA MET 65 HA MET 65 -8.614 -0.374 -2.292 494 HB2 MET 65 1HB MET 65 -8.512 0.111 0.183 495 HB3 MET 65 2HB MET 65 -7.718 1.628 -0.218 496 HG2 MET 65 1HG MET 65 -9.646 2.401 -1.400 497 HG3 MET 65 2HG MET 65 -10.432 0.832 -1.236 498 HE1 MET 65 1HE MET 65 -9.923 4.246 0.018 499 HE2 MET 65 2HE MET 65 -11.630 3.894 -0.248 500 HE3 MET 65 3HE MET 65 -11.057 4.317 1.367 501 H ASP 66 H ASP 66 -9.180 1.088 -3.832 502 HA ASP 66 HA ASP 66 -7.027 2.651 -4.992 503 HB2 ASP 66 1HB ASP 66 -8.422 1.314 -6.481 504 HB3 ASP 66 2HB ASP 66 -9.863 2.164 -5.928 505 H SER 67 H SER 67 -6.663 4.519 -3.943 506 HA SER 67 HA SER 67 -8.634 6.056 -2.633 507 HB2 SER 67 1HB SER 67 -5.994 6.057 -2.456 508 HB3 SER 67 2HB SER 67 -6.135 7.342 -3.655 509 HG SER 67 HG SER 67 -7.803 7.487 -1.431 510 H THR 68 H THR 68 -7.427 6.034 -5.907 511 HA THR 68 HA THR 68 -8.589 8.551 -6.645 512 HB THR 68 HB THR 68 -7.779 8.183 -8.796 513 HG1 THR 68 1HG THR 68 -8.228 6.343 -9.720 514 HG21 THR 68 1HG2 THR 68 -6.112 7.530 -6.633 515 HG22 THR 68 2HG2 THR 68 -5.623 8.081 -8.236 516 HG23 THR 68 3HG2 THR 68 -5.748 6.355 -7.897 517 H ALA 69 H ALA 69 -9.783 5.398 -6.221 518 HA ALA 69 HA ALA 69 -12.168 6.017 -7.839 519 HB1 ALA 69 1HB ALA 69 -11.186 4.050 -8.702 520 HB2 ALA 69 2HB ALA 69 -10.938 3.376 -7.091 521 HB3 ALA 69 3HB ALA 69 -12.570 3.523 -7.743 522 H ASN 70 H ASN 70 -10.980 5.647 -4.692 523 HA ASN 70 HA ASN 70 -13.709 5.719 -3.634 524 HB2 ASN 70 1HB ASN 70 -11.536 3.929 -2.521 525 HB3 ASN 70 2HB ASN 70 -13.159 4.123 -1.864 526 HD21 ASN 70 1HD2 ASN 70 -11.195 2.512 -4.122 527 HD22 ASN 70 2HD2 ASN 70 -12.430 1.567 -4.875 528 H GLU 71 H GLU 71 -13.974 7.260 -2.147 529 HA GLU 71 HA GLU 71 -11.559 8.418 -0.915 530 HB2 GLU 71 1HB GLU 71 -12.468 10.575 -1.080 531 HB3 GLU 71 2HB GLU 71 -12.839 9.830 -2.628 532 HG2 GLU 71 1HG GLU 71 -15.085 9.204 -1.428 533 HG3 GLU 71 2HG GLU 71 -14.654 10.563 -0.391 534 H VAL 72 H VAL 72 -11.575 8.841 1.253 535 HA VAL 72 HA VAL 72 -14.040 8.437 2.766 536 HB VAL 72 HB VAL 72 -12.850 6.955 4.391 537 HG11 VAL 72 1HG1 VAL 72 -14.384 6.200 2.482 538 HG12 VAL 72 2HG1 VAL 72 -12.904 5.665 1.683 539 HG13 VAL 72 3HG1 VAL 72 -13.361 4.984 3.245 540 HG21 VAL 72 1HG2 VAL 72 -10.611 7.640 2.865 541 HG22 VAL 72 2HG2 VAL 72 -10.686 6.482 4.193 542 HG23 VAL 72 3HG2 VAL 72 -10.904 5.933 2.531 543 H GLU 73 H GLU 73 -14.123 9.550 4.685 544 HA GLU 73 HA GLU 73 -12.259 11.701 4.993 545 HB2 GLU 73 1HB GLU 73 -13.675 12.422 6.826 546 HB3 GLU 73 2HB GLU 73 -14.670 11.962 5.451 547 HG2 GLU 73 1HG GLU 73 -15.185 9.839 6.494 548 HG3 GLU 73 2HG GLU 73 -14.126 10.226 7.849 549 H ALA 74 H ALA 74 -12.625 8.550 6.351 550 HA ALA 74 HA ALA 74 -11.228 8.941 8.778 551 HB1 ALA 74 1HB ALA 74 -11.526 6.728 9.115 552 HB2 ALA 74 2HB ALA 74 -12.656 6.902 7.772 553 HB3 ALA 74 3HB ALA 74 -11.024 6.300 7.479 554 H VAL 75 H VAL 75 -10.181 8.884 5.548 555 HA VAL 75 HA VAL 75 -7.419 9.103 6.386 556 HB VAL 75 HB VAL 75 -8.393 6.812 4.704 557 HG11 VAL 75 1HG1 VAL 75 -6.737 7.253 3.257 558 HG12 VAL 75 2HG1 VAL 75 -5.942 8.379 4.359 559 HG13 VAL 75 3HG1 VAL 75 -5.678 6.643 4.529 560 HG21 VAL 75 1HG2 VAL 75 -8.100 5.952 6.783 561 HG22 VAL 75 2HG2 VAL 75 -6.432 5.823 6.224 562 HG23 VAL 75 3HG2 VAL 75 -6.918 7.176 7.245 563 H LYS 76 H LYS 76 -6.720 10.851 5.368 564 HA LYS 76 HA LYS 76 -7.821 11.508 2.728 565 HB2 LYS 76 1HB LYS 76 -6.517 13.147 4.884 566 HB3 LYS 76 2HB LYS 76 -6.644 13.755 3.239 567 HG2 LYS 76 1HG LYS 76 -9.043 12.778 4.750 568 HG3 LYS 76 2HG LYS 76 -8.453 14.436 4.896 569 HD2 LYS 76 1HD LYS 76 -8.914 14.922 2.660 570 HD3 LYS 76 2HD LYS 76 -8.987 13.217 2.207 571 HE2 LYS 76 1HE LYS 76 -11.219 13.815 2.222 572 HE3 LYS 76 2HE LYS 76 -11.006 13.138 3.836 573 HZ1 LYS 76 1HZ LYS 76 -10.433 15.929 3.778 574 HZ2 LYS 76 2HZ LYS 76 -11.518 15.076 4.757 575 HZ3 LYS 76 3HZ LYS 76 -12.002 15.615 3.228 576 H VAL 77 H VAL 77 -6.641 10.815 1.074 577 HA VAL 77 HA VAL 77 -3.710 10.764 1.345 578 HB VAL 77 HB VAL 77 -5.280 9.368 -0.811 579 HG11 VAL 77 1HG1 VAL 77 -3.224 7.884 -0.728 580 HG12 VAL 77 2HG1 VAL 77 -2.989 9.516 -1.356 581 HG13 VAL 77 3HG1 VAL 77 -2.493 9.124 0.290 582 HG21 VAL 77 1HG2 VAL 77 -5.997 7.807 0.597 583 HG22 VAL 77 2HG2 VAL 77 -4.365 7.566 1.221 584 HG23 VAL 77 3HG2 VAL 77 -5.412 8.790 1.939 585 H HIS 78 H HIS 78 -2.567 12.230 0.277 586 HA HIS 78 HA HIS 78 -3.804 13.555 -2.048 587 HB2 HIS 78 1HB HIS 78 -1.767 14.781 -0.183 588 HB3 HIS 78 2HB HIS 78 -2.670 15.593 -1.459 589 HD1 HIS 78 1HD HIS 78 -5.227 16.022 -0.995 590 HD2 HIS 78 2HD HIS 78 -3.061 14.587 2.247 591 HE1 HIS 78 1HE HIS 78 -6.679 16.431 1.017 592 HE2 HIS 78 2HE HIS 78 -5.312 15.633 2.976 593 H SER 79 H SER 79 -1.994 11.157 -1.798 594 HA SER 79 HA SER 79 -0.329 11.752 -4.029 595 HB2 SER 79 1HB SER 79 1.827 11.634 -3.075 596 HB3 SER 79 2HB SER 79 0.937 12.726 -2.015 597 HG SER 79 HG SER 79 0.542 10.850 -0.669 598 H PHE 80 H PHE 80 1.049 9.843 -4.623 599 HA PHE 80 HA PHE 80 0.453 7.319 -3.391 600 HB2 PHE 80 1HB PHE 80 -0.505 7.619 -6.228 601 HB3 PHE 80 2HB PHE 80 -0.845 6.323 -5.085 602 HD1 PHE 80 1HD PHE 80 -2.406 6.724 -3.200 603 HD2 PHE 80 2HD PHE 80 -1.842 9.565 -6.319 604 HE1 PHE 80 1HE PHE 80 -4.504 7.838 -2.560 605 HE2 PHE 80 2HE PHE 80 -3.938 10.684 -5.684 606 HZ PHE 80 HZ PHE 80 -5.272 9.822 -3.802 607 HA PRO 81 HA PRO 81 0.490 5.126 -4.230 608 HB2 PRO 81 1HB PRO 81 2.290 3.350 -3.241 609 HB3 PRO 81 2HB PRO 81 1.755 3.338 -4.926 610 HG2 PRO 81 1HG PRO 81 4.256 4.479 -3.741 611 HG3 PRO 81 2HG PRO 81 4.052 3.540 -5.231 612 HD2 PRO 81 1HD PRO 81 4.307 6.236 -5.231 613 HD3 PRO 81 2HD PRO 81 3.329 5.370 -6.433 614 H THR 82 H THR 82 -0.295 5.063 -2.186 615 HA THR 82 HA THR 82 1.406 6.158 -0.042 616 HB THR 82 HB THR 82 -1.497 6.682 -0.637 617 HG1 THR 82 1HG THR 82 0.550 8.028 -1.222 618 HG21 THR 82 1HG2 THR 82 -1.664 7.778 1.561 619 HG22 THR 82 2HG2 THR 82 -0.060 7.172 1.975 620 HG23 THR 82 3HG2 THR 82 -1.388 6.043 1.713 621 H LEU 83 H LEU 83 1.706 4.856 1.640 622 HA LEU 83 HA LEU 83 -0.159 2.607 2.014 623 HB2 LEU 83 1HB LEU 83 2.706 2.736 2.926 624 HB3 LEU 83 2HB LEU 83 1.645 1.329 2.913 625 HG LEU 83 HG LEU 83 2.727 2.733 0.470 626 HD11 LEU 83 1HD1 LEU 83 3.660 0.429 2.085 627 HD12 LEU 83 2HD1 LEU 83 4.581 1.627 1.178 628 HD13 LEU 83 3HD1 LEU 83 3.781 0.304 0.330 629 HD21 LEU 83 1HD2 LEU 83 1.878 0.395 -0.451 630 HD22 LEU 83 2HD2 LEU 83 0.822 1.805 -0.361 631 HD23 LEU 83 3HD2 LEU 83 0.746 0.564 0.891 632 H LYS 84 H LYS 84 -1.027 2.227 3.998 633 HA LYS 84 HA LYS 84 -0.132 3.861 6.259 634 HB2 LYS 84 1HB LYS 84 -3.034 3.605 5.450 635 HB3 LYS 84 2HB LYS 84 -2.405 4.510 6.821 636 HG2 LYS 84 1HG LYS 84 -1.034 5.727 4.906 637 HG3 LYS 84 2HG LYS 84 -2.406 5.186 3.937 638 HD2 LYS 84 1HD LYS 84 -3.945 6.295 5.459 639 HD3 LYS 84 2HD LYS 84 -2.598 6.787 6.489 640 HE2 LYS 84 1HE LYS 84 -3.221 8.654 5.127 641 HE3 LYS 84 2HE LYS 84 -1.667 8.049 4.555 642 HZ1 LYS 84 1HZ LYS 84 -4.327 7.615 3.314 643 HZ2 LYS 84 2HZ LYS 84 -2.926 6.802 2.829 644 HZ3 LYS 84 3HZ LYS 84 -3.024 8.484 2.672 645 H PHE 85 H PHE 85 0.110 2.665 8.026 646 HA PHE 85 HA PHE 85 -0.979 -0.039 8.059 647 HB2 PHE 85 1HB PHE 85 1.366 0.121 8.571 648 HB3 PHE 85 2HB PHE 85 1.067 1.350 9.795 649 HD1 PHE 85 2HD PHE 85 0.831 -2.217 8.992 650 HD2 PHE 85 1HD PHE 85 0.281 0.761 11.983 651 HE1 PHE 85 2HE PHE 85 0.658 -3.974 10.705 652 HE2 PHE 85 1HE PHE 85 0.109 -0.992 13.701 653 HZ PHE 85 HZ PHE 85 0.296 -3.363 13.063 654 H PHE 86 H PHE 86 -2.666 -0.632 9.254 655 HA PHE 86 HA PHE 86 -3.723 1.297 11.205 656 HB2 PHE 86 1HB PHE 86 -5.148 -0.966 9.790 657 HB3 PHE 86 2HB PHE 86 -5.890 0.189 10.892 658 HD1 PHE 86 1HD PHE 86 -3.814 2.326 9.496 659 HD2 PHE 86 2HD PHE 86 -7.020 -0.185 8.258 660 HE1 PHE 86 1HE PHE 86 -4.263 3.837 7.607 661 HE2 PHE 86 2HE PHE 86 -7.474 1.321 6.367 662 HZ PHE 86 HZ PHE 86 -6.094 3.335 6.038 663 HA PRO 87 HA PRO 87 -2.263 -1.748 14.175 664 HB2 PRO 87 1HB PRO 87 -2.698 -0.173 16.344 665 HB3 PRO 87 2HB PRO 87 -1.283 0.000 15.298 666 HG2 PRO 87 1HG PRO 87 -3.825 1.581 15.324 667 HG3 PRO 87 2HG PRO 87 -2.154 2.152 15.163 668 HD2 PRO 87 1HD PRO 87 -3.810 1.874 13.038 669 HD3 PRO 87 2HD PRO 87 -2.056 1.622 12.922 670 H ALA 88 H ALA 88 -3.238 -2.929 15.913 671 HA ALA 88 HA ALA 88 -6.049 -3.334 15.558 672 HB1 ALA 88 1HB ALA 88 -5.697 -4.979 17.480 673 HB2 ALA 88 2HB ALA 88 -4.826 -5.286 15.977 674 HB3 ALA 88 3HB ALA 88 -3.986 -4.570 17.353 675 H SER 89 H SER 89 -6.815 -1.210 16.162 676 HA SER 89 HA SER 89 -7.157 -0.973 19.071 677 HB2 SER 89 1HB SER 89 -5.457 0.683 17.895 678 HB3 SER 89 2HB SER 89 -6.939 1.528 17.447 679 HG SER 89 HG SER 89 -7.414 1.238 19.837 680 H ALA 90 H ALA 90 -9.078 0.145 19.728 681 HA ALA 90 HA ALA 90 -11.280 -0.315 17.901 682 HB1 ALA 90 1HB ALA 90 -12.713 0.027 19.787 683 HB2 ALA 90 2HB ALA 90 -11.367 -0.991 20.298 684 HB3 ALA 90 3HB ALA 90 -11.392 0.718 20.729 685 H ASP 91 H ASP 91 -9.391 1.874 17.364 686 HA ASP 91 HA ASP 91 -11.350 4.066 17.285 687 HB2 ASP 91 1HB ASP 91 -8.506 4.141 18.216 688 HB3 ASP 91 2HB ASP 91 -9.183 5.556 17.416 689 H ARG 92 H ARG 92 -10.182 5.881 15.764 690 HA ARG 92 HA ARG 92 -9.787 4.474 13.225 691 HB2 ARG 92 1HB ARG 92 -11.520 6.413 13.727 692 HB3 ARG 92 2HB ARG 92 -10.131 7.434 13.382 693 HG2 ARG 92 1HG ARG 92 -11.179 7.264 11.330 694 HG3 ARG 92 2HG ARG 92 -9.919 6.033 11.229 695 HD2 ARG 92 1HD ARG 92 -11.698 4.818 10.479 696 HD3 ARG 92 2HD ARG 92 -11.833 4.501 12.208 697 HE ARG 92 HE ARG 92 -13.328 6.797 11.383 698 HH11 ARG 92 2HH1 ARG 92 -13.366 3.323 11.597 699 HH12 ARG 92 1HH1 ARG 92 -15.094 3.214 11.644 700 HH21 ARG 92 2HH2 ARG 92 -15.604 6.668 11.444 701 HH22 ARG 92 1HH2 ARG 92 -16.367 5.118 11.556 702 H THR 93 H THR 93 -7.609 4.484 14.984 703 HA THR 93 HA THR 93 -5.786 6.595 14.356 704 HB THR 93 HB THR 93 -5.189 3.862 15.506 705 HG1 THR 93 1HG THR 93 -5.388 6.261 16.988 706 HG21 THR 93 1HG2 THR 93 -3.396 5.780 16.474 707 HG22 THR 93 2HG2 THR 93 -3.508 6.076 14.739 708 HG23 THR 93 3HG2 THR 93 -3.053 4.480 15.335 709 H VAL 94 H VAL 94 -4.116 6.640 12.903 710 HA VAL 94 HA VAL 94 -3.767 4.327 11.130 711 HB VAL 94 HB VAL 94 -4.410 7.139 10.294 712 HG11 VAL 94 1HG1 VAL 94 -2.699 5.143 8.898 713 HG12 VAL 94 2HG1 VAL 94 -3.801 6.134 7.939 714 HG13 VAL 94 3HG1 VAL 94 -2.572 6.901 8.947 715 HG21 VAL 94 1HG2 VAL 94 -6.332 6.236 9.645 716 HG22 VAL 94 2HG2 VAL 94 -5.483 5.047 8.657 717 HG23 VAL 94 3HG2 VAL 94 -5.819 4.705 10.354 718 H ILE 95 H ILE 95 -1.696 3.830 10.820 719 HA ILE 95 HA ILE 95 0.337 5.767 11.674 720 HB ILE 95 HB ILE 95 0.497 2.775 11.310 721 HG12 ILE 95 1HG1 ILE 95 0.656 4.544 13.760 722 HG13 ILE 95 2HG1 ILE 95 -0.677 3.476 13.334 723 HG21 ILE 95 1HG2 ILE 95 2.790 3.185 12.439 724 HG22 ILE 95 2HG2 ILE 95 2.627 3.452 10.704 725 HG23 ILE 95 3HG2 ILE 95 2.617 4.824 11.812 726 HD11 ILE 95 1HD1 ILE 95 0.337 2.047 14.718 727 HD12 ILE 95 2HD1 ILE 95 1.406 1.742 13.348 728 HD13 ILE 95 3HD1 ILE 95 1.887 2.880 14.606 729 H ASP 96 H ASP 96 1.803 6.584 10.298 730 HA ASP 96 HA ASP 96 1.452 6.128 7.478 731 HB2 ASP 96 1HB ASP 96 2.120 8.326 8.820 732 HB3 ASP 96 2HB ASP 96 3.747 7.721 8.520 733 H TYR 97 H TYR 97 2.980 5.316 6.028 734 HA TYR 97 HA TYR 97 5.054 3.627 7.264 735 HB2 TYR 97 1HB TYR 97 3.272 2.343 6.159 736 HB3 TYR 97 2HB TYR 97 3.575 3.208 4.656 737 HD1 TYR 97 1HD TYR 97 5.746 2.866 3.462 738 HD2 TYR 97 2HD TYR 97 4.601 0.484 6.797 739 HE1 TYR 97 1HE TYR 97 7.421 1.181 2.826 740 HE2 TYR 97 2HE TYR 97 6.274 -1.207 6.170 741 HH TYR 97 HH TYR 97 8.765 -0.700 4.233 742 H ASN 98 H ASN 98 6.965 4.598 7.065 743 HA ASN 98 HA ASN 98 7.679 5.721 4.437 744 HB2 ASN 98 1HB ASN 98 8.335 6.775 7.189 745 HB3 ASN 98 2HB ASN 98 9.196 7.289 5.741 746 HD21 ASN 98 1HD2 ASN 98 6.641 7.924 7.756 747 HD22 ASN 98 2HD2 ASN 98 5.738 8.980 6.729 748 H GLY 99 H GLY 99 8.434 3.465 4.110 749 HA2 GLY 99 1HA GLY 99 11.156 3.154 5.213 750 HA3 GLY 99 2HA GLY 99 10.066 1.784 5.065 751 H GLU 100 H GLU 100 11.499 0.671 3.711 752 HA GLU 100 HA GLU 100 12.497 1.813 1.294 753 HB2 GLU 100 1HB GLU 100 13.186 -0.504 0.757 754 HB3 GLU 100 2HB GLU 100 13.706 0.008 2.357 755 HG2 GLU 100 1HG GLU 100 11.593 -1.157 3.208 756 HG3 GLU 100 2HG GLU 100 11.535 -1.917 1.619 757 H ARG 101 H ARG 101 9.520 0.416 2.213 758 HA ARG 101 HA ARG 101 7.619 -0.118 1.085 759 HB2 ARG 101 1HB ARG 101 8.045 2.227 0.242 760 HB3 ARG 101 2HB ARG 101 8.773 1.502 -1.185 761 HG2 ARG 101 1HG ARG 101 6.679 0.436 -1.756 762 HG3 ARG 101 2HG ARG 101 5.937 1.056 -0.279 763 HD2 ARG 101 1HD ARG 101 5.427 2.339 -2.391 764 HD3 ARG 101 2HD ARG 101 6.055 3.290 -1.046 765 HE ARG 101 HE ARG 101 7.399 2.709 -3.556 766 HH11 ARG 101 2HH1 ARG 101 7.609 3.981 -0.323 767 HH12 ARG 101 1HH1 ARG 101 9.042 4.902 -0.638 768 HH21 ARG 101 2HH2 ARG 101 9.286 3.917 -3.984 769 HH22 ARG 101 1HH2 ARG 101 9.994 4.865 -2.722 770 H THR 102 H THR 102 9.522 -2.081 0.995 771 HA THR 102 HA THR 102 9.177 -3.174 -1.721 772 HB THR 102 HB THR 102 11.289 -4.341 -1.536 773 HG1 THR 102 1HG THR 102 12.139 -4.652 0.368 774 HG21 THR 102 1HG2 THR 102 11.032 -1.505 -1.612 775 HG22 THR 102 2HG2 THR 102 12.248 -2.520 -2.388 776 HG23 THR 102 3HG2 THR 102 12.522 -1.905 -0.759 777 H LEU 103 H LEU 103 8.694 -5.365 -1.897 778 HA LEU 103 HA LEU 103 6.926 -6.548 -0.285 779 HB2 LEU 103 1HB LEU 103 7.553 -7.551 -2.367 780 HB3 LEU 103 2HB LEU 103 9.172 -7.901 -1.765 781 HG LEU 103 HG LEU 103 8.200 -9.526 -0.182 782 HD11 LEU 103 1HD1 LEU 103 5.728 -10.137 -1.123 783 HD12 LEU 103 2HD1 LEU 103 5.712 -8.376 -1.220 784 HD13 LEU 103 3HD1 LEU 103 6.044 -9.171 0.319 785 HD21 LEU 103 1HD2 LEU 103 8.664 -9.821 -2.873 786 HD22 LEU 103 2HD2 LEU 103 7.059 -10.523 -2.672 787 HD23 LEU 103 3HD2 LEU 103 8.414 -11.131 -1.720 788 H ASP 104 H ASP 104 10.440 -6.977 0.080 789 HA ASP 104 HA ASP 104 10.199 -8.511 2.476 790 HB2 ASP 104 1HB ASP 104 12.170 -8.327 0.727 791 HB3 ASP 104 2HB ASP 104 12.710 -7.038 1.798 792 H GLY 105 H GLY 105 10.725 -5.110 1.736 793 HA2 GLY 105 1HA GLY 105 11.444 -4.246 4.317 794 HA3 GLY 105 2HA GLY 105 10.727 -3.240 3.067 795 H PHE 106 H PHE 106 8.305 -4.820 2.846 796 HA PHE 106 HA PHE 106 6.755 -3.514 4.815 797 HB2 PHE 106 1HB PHE 106 6.044 -5.777 2.938 798 HB3 PHE 106 2HB PHE 106 4.878 -4.887 3.912 799 HD1 PHE 106 2HD PHE 106 5.830 -2.132 3.636 800 HD2 PHE 106 1HD PHE 106 5.543 -5.242 0.745 801 HE1 PHE 106 2HE PHE 106 5.623 -0.450 1.852 802 HE2 PHE 106 1HE PHE 106 5.336 -3.565 -1.044 803 HZ PHE 106 HZ PHE 106 5.375 -1.166 -0.491 804 H LYS 107 H LYS 107 7.799 -6.878 4.440 805 HA LYS 107 HA LYS 107 6.412 -8.013 6.562 806 HB2 LYS 107 1HB LYS 107 9.189 -8.728 5.603 807 HB3 LYS 107 2HB LYS 107 8.129 -9.761 6.552 808 HG2 LYS 107 1HG LYS 107 6.491 -9.355 4.526 809 HG3 LYS 107 2HG LYS 107 8.005 -9.041 3.674 810 HD2 LYS 107 1HD LYS 107 8.725 -11.287 4.878 811 HD3 LYS 107 2HD LYS 107 6.981 -11.563 4.878 812 HE2 LYS 107 1HE LYS 107 6.898 -11.312 2.482 813 HE3 LYS 107 2HE LYS 107 8.602 -10.864 2.432 814 HZ1 LYS 107 1HZ LYS 107 7.719 -13.334 2.010 815 HZ2 LYS 107 2HZ LYS 107 8.002 -13.418 3.675 816 HZ3 LYS 107 3HZ LYS 107 9.258 -12.992 2.625 817 H LYS 108 H LYS 108 9.449 -6.230 6.540 818 HA LYS 108 HA LYS 108 10.213 -6.756 9.200 819 HB2 LYS 108 1HB LYS 108 10.816 -4.246 7.634 820 HB3 LYS 108 2HB LYS 108 11.749 -4.923 8.961 821 HG2 LYS 108 1HG LYS 108 12.089 -6.957 7.465 822 HG3 LYS 108 2HG LYS 108 11.486 -5.941 6.153 823 HD2 LYS 108 1HD LYS 108 13.261 -4.258 6.845 824 HD3 LYS 108 2HD LYS 108 13.946 -5.544 7.841 825 HE2 LYS 108 1HE LYS 108 14.194 -6.949 5.857 826 HE3 LYS 108 2HE LYS 108 13.491 -5.676 4.860 827 HZ1 LYS 108 1HZ LYS 108 15.727 -5.332 4.572 828 HZ2 LYS 108 2HZ LYS 108 16.129 -5.775 6.154 829 HZ3 LYS 108 3HZ LYS 108 15.412 -4.273 5.853 830 H PHE 109 H PHE 109 8.500 -3.969 7.789 831 HA PHE 109 HA PHE 109 8.091 -2.562 10.164 832 HB2 PHE 109 1HB PHE 109 7.717 -1.638 7.889 833 HB3 PHE 109 2HB PHE 109 6.271 -2.632 7.749 834 HD1 PHE 109 2HD PHE 109 7.794 0.221 9.504 835 HD2 PHE 109 1HD PHE 109 4.234 -2.005 8.799 836 HE1 PHE 109 2HE PHE 109 6.472 2.008 10.558 837 HE2 PHE 109 1HE PHE 109 2.906 -0.220 9.851 838 HZ PHE 109 HZ PHE 109 4.025 1.789 10.733 839 H LEU 110 H LEU 110 6.091 -5.026 8.592 840 HA LEU 110 HA LEU 110 3.964 -4.897 10.465 841 HB2 LEU 110 1HB LEU 110 4.767 -7.194 8.687 842 HB3 LEU 110 2HB LEU 110 3.203 -6.973 9.468 843 HG LEU 110 HG LEU 110 4.233 -4.966 7.492 844 HD11 LEU 110 1HD1 LEU 110 3.484 -7.712 6.956 845 HD12 LEU 110 2HD1 LEU 110 4.179 -6.499 5.882 846 HD13 LEU 110 3HD1 LEU 110 2.434 -6.563 6.126 847 HD21 LEU 110 1HD2 LEU 110 2.341 -4.246 8.748 848 HD22 LEU 110 2HD2 LEU 110 1.514 -5.785 8.500 849 HD23 LEU 110 3HD2 LEU 110 1.767 -4.689 7.140 850 H GLU 111 H GLU 111 6.362 -7.496 9.971 851 HA GLU 111 HA GLU 111 5.915 -9.076 12.101 852 HB2 GLU 111 1HB GLU 111 8.517 -8.186 10.891 853 HB3 GLU 111 2HB GLU 111 8.490 -9.322 12.233 854 HG2 GLU 111 1HG GLU 111 6.811 -10.627 10.729 855 HG3 GLU 111 2HG GLU 111 7.535 -9.675 9.433 856 H SER 112 H SER 112 7.613 -5.979 12.194 857 HA SER 112 HA SER 112 8.396 -6.099 14.902 858 HB2 SER 112 1HB SER 112 7.807 -3.603 13.296 859 HB3 SER 112 2HB SER 112 8.854 -3.736 14.709 860 HG SER 112 HG SER 112 9.432 -4.183 12.115 861 H GLY 113 H GLY 113 5.559 -4.657 13.319 862 HA2 GLY 113 1HA GLY 113 3.440 -5.039 14.605 863 HA3 GLY 113 2HA GLY 113 4.321 -4.415 15.992 864 H GLY 114 H GLY 114 4.887 -2.984 12.895 865 HA2 GLY 114 1HA GLY 114 4.228 -0.976 11.971 866 HA3 GLY 114 2HA GLY 114 2.860 -0.974 13.073 867 H GLN 115 H GLN 115 6.160 -1.229 14.193 868 HA GLN 115 HA GLN 115 5.971 0.757 16.099 869 HB2 GLN 115 1HB GLN 115 8.414 -0.228 14.620 870 HB3 GLN 115 2HB GLN 115 8.474 0.791 16.052 871 HG2 GLN 115 1HG GLN 115 6.979 -1.131 17.059 872 HG3 GLN 115 2HG GLN 115 7.753 -2.075 15.788 873 HE21 GLN 115 1HE2 GLN 115 10.156 -1.890 15.704 874 HE22 GLN 115 2HE2 GLN 115 11.003 -1.844 17.209 875 H SER 116 H SER 116 5.382 2.796 15.730 876 HA SER 116 HA SER 116 6.215 4.166 13.308 877 HB2 SER 116 1HB SER 116 4.760 6.002 14.148 878 HB3 SER 116 2HB SER 116 3.911 4.461 14.025 879 HG SER 116 HG SER 116 3.853 4.296 16.176 880 H GLY 117 H GLY 117 8.455 3.626 14.650 881 HA2 GLY 117 1HA GLY 117 9.152 6.157 16.007 882 HA3 GLY 117 2HA GLY 117 9.912 4.613 16.364 883 HA PRO 118 HA PRO 118 11.941 7.062 12.728 884 HB2 PRO 118 1HB PRO 118 13.586 8.775 14.044 885 HB3 PRO 118 2HB PRO 118 11.951 9.214 13.534 886 HG2 PRO 118 1HG PRO 118 12.925 8.339 16.227 887 HG3 PRO 118 2HG PRO 118 11.793 9.640 15.815 888 HD2 PRO 118 1HD PRO 118 10.969 7.220 16.706 889 HD3 PRO 118 2HD PRO 118 10.021 8.189 15.559 890 H SER 119 H SER 119 12.930 5.624 15.706 891 HA SER 119 HA SER 119 15.680 5.238 14.914 892 HB2 SER 119 1HB SER 119 14.232 3.886 17.195 893 HB3 SER 119 2HB SER 119 15.969 4.135 17.017 894 HG SER 119 HG SER 119 15.167 6.504 16.921 895 H SER 120 H SER 120 16.089 3.861 13.311 896 HA SER 120 HA SER 120 14.642 1.294 13.274 897 HB2 SER 120 1HB SER 120 14.395 2.936 11.294 898 HB3 SER 120 2HB SER 120 16.046 2.470 10.883 899 HG SER 120 HG SER 120 14.800 1.051 9.799 900 H GLY 121 H GLY 121 16.091 0.232 14.651 901 HA2 GLY 121 1HA GLY 121 18.905 0.236 14.269 902 HA3 GLY 121 2HA GLY 121 17.996 -0.914 15.238 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -12.746 -28.633 3.852 2 HA2 GLY 1 1HA GLY 1 -12.252 -26.326 5.411 3 HA3 GLY 1 2HA GLY 1 -10.946 -26.542 4.255 4 H SER 2 H SER 2 -12.487 -24.289 4.153 5 HA SER 2 HA SER 2 -14.775 -24.240 2.649 6 HB2 SER 2 1HB SER 2 -13.431 -22.283 3.663 7 HB3 SER 2 2HB SER 2 -12.559 -22.267 2.130 8 HG SER 2 HG SER 2 -14.169 -21.030 1.553 9 H SER 3 H SER 3 -11.446 -24.173 1.382 10 HA SER 3 HA SER 3 -10.576 -24.714 -0.649 11 HB2 SER 3 1HB SER 3 -13.001 -26.512 -0.612 12 HB3 SER 3 2HB SER 3 -11.821 -26.540 -1.921 13 HG SER 3 HG SER 3 -10.353 -27.393 -0.610 14 H GLY 4 H GLY 4 -11.919 -22.328 -0.616 15 HA2 GLY 4 1HA GLY 4 -13.369 -22.315 -3.190 16 HA3 GLY 4 2HA GLY 4 -13.640 -21.152 -1.901 17 H SER 5 H SER 5 -13.154 -19.294 -2.964 18 HA SER 5 HA SER 5 -10.560 -19.109 -4.319 19 HB2 SER 5 1HB SER 5 -12.343 -18.317 -5.695 20 HB3 SER 5 2HB SER 5 -13.017 -17.353 -4.382 21 HG SER 5 HG SER 5 -11.816 -16.088 -5.877 22 H SER 6 H SER 6 -8.963 -18.583 -2.971 23 HA SER 6 HA SER 6 -9.470 -16.527 -0.926 24 HB2 SER 6 1HB SER 6 -8.730 -18.736 -0.067 25 HB3 SER 6 2HB SER 6 -7.248 -18.582 -1.010 26 HG SER 6 HG SER 6 -7.170 -16.435 0.251 27 H GLY 7 H GLY 7 -8.819 -14.577 -1.550 28 HA2 GLY 7 1HA GLY 7 -6.719 -14.269 -3.526 29 HA3 GLY 7 2HA GLY 7 -7.690 -12.984 -2.823 30 HA PRO 8 HA PRO 8 -3.348 -13.486 -0.830 31 HB2 PRO 8 1HB PRO 8 -1.916 -11.733 -2.329 32 HB3 PRO 8 2HB PRO 8 -2.024 -13.457 -2.708 33 HG2 PRO 8 1HG PRO 8 -3.531 -11.159 -3.895 34 HG3 PRO 8 2HG PRO 8 -2.796 -12.554 -4.706 35 HD2 PRO 8 1HD PRO 8 -5.448 -12.405 -4.180 36 HD3 PRO 8 2HD PRO 8 -4.561 -13.943 -4.190 37 H VAL 9 H VAL 9 -4.528 -10.504 -2.402 38 HA VAL 9 HA VAL 9 -4.267 -9.142 0.200 39 HB VAL 9 HB VAL 9 -2.709 -8.043 -1.130 40 HG11 VAL 9 1HG1 VAL 9 -3.384 -9.213 -3.228 41 HG12 VAL 9 2HG1 VAL 9 -4.643 -7.995 -3.441 42 HG13 VAL 9 3HG1 VAL 9 -2.944 -7.520 -3.453 43 HG21 VAL 9 1HG2 VAL 9 -3.457 -5.946 -0.907 44 HG22 VAL 9 2HG2 VAL 9 -4.786 -6.203 -2.038 45 HG23 VAL 9 3HG2 VAL 9 -4.959 -6.684 -0.350 46 H LYS 10 H LYS 10 -6.095 -8.432 1.068 47 HA LYS 10 HA LYS 10 -8.596 -8.736 -0.244 48 HB2 LYS 10 1HB LYS 10 -7.785 -8.522 2.368 49 HB3 LYS 10 2HB LYS 10 -8.557 -6.965 2.098 50 HG2 LYS 10 1HG LYS 10 -9.934 -9.509 1.335 51 HG3 LYS 10 2HG LYS 10 -9.971 -8.915 2.997 52 HD2 LYS 10 1HD LYS 10 -10.627 -6.975 0.855 53 HD3 LYS 10 2HD LYS 10 -11.810 -8.245 1.178 54 HE2 LYS 10 1HE LYS 10 -11.681 -7.602 3.604 55 HE3 LYS 10 2HE LYS 10 -10.712 -6.213 3.113 56 HZ1 LYS 10 1HZ LYS 10 -13.501 -6.798 2.279 57 HZ2 LYS 10 2HZ LYS 10 -12.574 -5.509 1.697 58 HZ3 LYS 10 3HZ LYS 10 -13.002 -5.571 3.332 59 H VAL 11 H VAL 11 -10.065 -7.171 -0.942 60 HA VAL 11 HA VAL 11 -8.828 -4.612 -1.687 61 HB VAL 11 HB VAL 11 -11.234 -6.019 -2.852 62 HG11 VAL 11 1HG1 VAL 11 -9.962 -3.379 -3.552 63 HG12 VAL 11 2HG1 VAL 11 -11.108 -4.228 -4.591 64 HG13 VAL 11 3HG1 VAL 11 -11.611 -3.663 -2.997 65 HG21 VAL 11 1HG2 VAL 11 -8.954 -6.961 -3.351 66 HG22 VAL 11 2HG2 VAL 11 -9.886 -6.455 -4.760 67 HG23 VAL 11 3HG2 VAL 11 -8.582 -5.435 -4.154 68 H LEU 12 H LEU 12 -9.300 -3.005 -0.341 69 HA LEU 12 HA LEU 12 -11.742 -3.019 1.214 70 HB2 LEU 12 1HB LEU 12 -9.554 -0.950 1.078 71 HB3 LEU 12 2HB LEU 12 -10.841 -1.030 2.280 72 HG LEU 12 HG LEU 12 -8.710 -3.138 1.944 73 HD11 LEU 12 1HD1 LEU 12 -7.337 -1.627 2.851 74 HD12 LEU 12 2HD1 LEU 12 -8.246 -1.897 4.337 75 HD13 LEU 12 3HD1 LEU 12 -8.661 -0.545 3.284 76 HD21 LEU 12 1HD2 LEU 12 -10.237 -4.281 3.136 77 HD22 LEU 12 2HD2 LEU 12 -11.097 -2.823 3.632 78 HD23 LEU 12 3HD2 LEU 12 -9.631 -3.315 4.482 79 H VAL 13 H VAL 13 -13.391 -1.503 1.103 80 HA VAL 13 HA VAL 13 -13.384 0.248 -1.267 81 HB VAL 13 HB VAL 13 -15.862 -0.180 -1.425 82 HG11 VAL 13 1HG1 VAL 13 -15.301 -1.516 -3.107 83 HG12 VAL 13 2HG1 VAL 13 -13.684 -1.654 -2.414 84 HG13 VAL 13 3HG1 VAL 13 -14.930 -2.830 -1.991 85 HG21 VAL 13 1HG2 VAL 13 -15.549 -1.420 0.986 86 HG22 VAL 13 2HG2 VAL 13 -16.938 -1.621 -0.082 87 HG23 VAL 13 3HG2 VAL 13 -15.618 -2.790 -0.122 88 H GLY 14 H GLY 14 -14.827 2.098 -1.126 89 HA2 GLY 14 1HA GLY 14 -14.580 3.474 1.321 90 HA3 GLY 14 2HA GLY 14 -15.558 3.986 -0.046 91 H LYS 15 H LYS 15 -16.689 1.024 0.555 92 HA LYS 15 HA LYS 15 -18.949 2.060 2.062 93 HB2 LYS 15 1HB LYS 15 -19.528 0.760 0.145 94 HB3 LYS 15 2HB LYS 15 -18.448 -0.544 0.622 95 HG2 LYS 15 1HG LYS 15 -20.514 -1.385 1.187 96 HG3 LYS 15 2HG LYS 15 -19.964 -0.698 2.717 97 HD2 LYS 15 1HD LYS 15 -21.541 1.018 0.860 98 HD3 LYS 15 2HD LYS 15 -22.386 -0.217 1.798 99 HE2 LYS 15 1HE LYS 15 -20.468 1.534 3.235 100 HE3 LYS 15 2HE LYS 15 -21.991 2.251 2.711 101 HZ1 LYS 15 1HZ LYS 15 -21.515 0.589 4.921 102 HZ2 LYS 15 2HZ LYS 15 -22.569 -0.217 3.873 103 HZ3 LYS 15 3HZ LYS 15 -22.965 1.322 4.450 104 H ASN 16 H ASN 16 -16.677 -0.674 2.301 105 HA ASN 16 HA ASN 16 -17.193 -0.714 5.203 106 HB2 ASN 16 1HB ASN 16 -16.872 -3.109 5.211 107 HB3 ASN 16 2HB ASN 16 -18.100 -2.711 4.013 108 HD21 ASN 16 1HD2 ASN 16 -14.691 -3.483 4.426 109 HD22 ASN 16 2HD2 ASN 16 -14.473 -4.183 2.862 110 H PHE 17 H PHE 17 -15.128 0.655 3.490 111 HA PHE 17 HA PHE 17 -12.632 -0.515 3.643 112 HB2 PHE 17 1HB PHE 17 -12.520 1.452 2.480 113 HB3 PHE 17 2HB PHE 17 -13.629 2.281 3.566 114 HD1 PHE 17 2HD PHE 17 -10.230 0.742 3.718 115 HD2 PHE 17 1HD PHE 17 -12.750 4.001 4.789 116 HE1 PHE 17 2HE PHE 17 -8.324 1.853 4.808 117 HE2 PHE 17 1HE PHE 17 -10.848 5.118 5.879 118 HZ PHE 17 HZ PHE 17 -8.632 4.043 5.891 119 H GLU 18 H GLU 18 -13.730 1.980 5.941 120 HA GLU 18 HA GLU 18 -11.789 1.581 7.860 121 HB2 GLU 18 1HB GLU 18 -14.655 2.476 8.176 122 HB3 GLU 18 2HB GLU 18 -13.474 2.537 9.477 123 HG2 GLU 18 1HG GLU 18 -12.241 4.208 8.459 124 HG3 GLU 18 2HG GLU 18 -12.903 3.862 6.862 125 H ASP 19 H ASP 19 -14.846 -0.116 7.423 126 HA ASP 19 HA ASP 19 -15.010 -1.528 9.789 127 HB2 ASP 19 1HB ASP 19 -15.899 -2.056 6.992 128 HB3 ASP 19 2HB ASP 19 -15.978 -3.383 8.148 129 H VAL 20 H VAL 20 -13.073 -2.234 6.923 130 HA VAL 20 HA VAL 20 -11.951 -4.603 8.220 131 HB VAL 20 HB VAL 20 -11.698 -3.524 5.416 132 HG11 VAL 20 1HG1 VAL 20 -10.339 -5.950 6.585 133 HG12 VAL 20 2HG1 VAL 20 -10.295 -5.441 4.896 134 HG13 VAL 20 3HG1 VAL 20 -9.540 -4.443 6.139 135 HG21 VAL 20 1HG2 VAL 20 -12.513 -6.232 5.536 136 HG22 VAL 20 2HG2 VAL 20 -13.483 -5.333 6.702 137 HG23 VAL 20 3HG2 VAL 20 -13.448 -4.831 5.012 138 H ALA 21 H ALA 21 -11.203 -1.315 7.532 139 HA ALA 21 HA ALA 21 -8.347 -1.599 7.746 140 HB1 ALA 21 1HB ALA 21 -9.899 0.282 6.620 141 HB2 ALA 21 2HB ALA 21 -9.563 1.056 8.170 142 HB3 ALA 21 3HB ALA 21 -8.232 0.568 7.121 143 H PHE 22 H PHE 22 -10.726 0.153 9.753 144 HA PHE 22 HA PHE 22 -8.906 0.166 11.993 145 HB2 PHE 22 1HB PHE 22 -11.734 1.172 11.650 146 HB3 PHE 22 2HB PHE 22 -10.834 1.311 13.157 147 HD1 PHE 22 2HD PHE 22 -8.279 2.225 12.603 148 HD2 PHE 22 1HD PHE 22 -11.856 3.129 10.482 149 HE1 PHE 22 2HE PHE 22 -7.273 4.325 11.809 150 HE2 PHE 22 1HE PHE 22 -10.856 5.231 9.684 151 HZ PHE 22 HZ PHE 22 -8.562 5.832 10.349 152 H ASP 23 H ASP 23 -9.315 -2.422 11.382 153 HA ASP 23 HA ASP 23 -11.447 -3.509 13.018 154 HB2 ASP 23 1HB ASP 23 -10.631 -4.485 10.792 155 HB3 ASP 23 2HB ASP 23 -9.244 -5.085 11.698 156 H GLU 24 H GLU 24 -11.227 -3.731 15.136 157 HA GLU 24 HA GLU 24 -8.787 -3.435 16.512 158 HB2 GLU 24 1HB GLU 24 -10.548 -2.910 17.878 159 HB3 GLU 24 2HB GLU 24 -11.566 -4.194 17.240 160 HG2 GLU 24 1HG GLU 24 -10.329 -5.844 18.513 161 HG3 GLU 24 2HG GLU 24 -9.246 -4.590 19.115 162 H LYS 25 H LYS 25 -7.759 -5.024 17.926 163 HA LYS 25 HA LYS 25 -6.532 -6.939 18.114 164 HB2 LYS 25 1HB LYS 25 -9.376 -7.726 18.016 165 HB3 LYS 25 2HB LYS 25 -8.226 -9.028 17.744 166 HG2 LYS 25 1HG LYS 25 -8.773 -8.948 20.072 167 HG3 LYS 25 2HG LYS 25 -7.102 -8.420 19.864 168 HD2 LYS 25 1HD LYS 25 -7.781 -6.100 20.058 169 HD3 LYS 25 2HD LYS 25 -9.477 -6.580 20.161 170 HE2 LYS 25 1HE LYS 25 -7.464 -7.624 22.119 171 HE3 LYS 25 2HE LYS 25 -8.187 -6.031 22.336 172 HZ1 LYS 25 1HZ LYS 25 -9.656 -7.306 23.489 173 HZ2 LYS 25 2HZ LYS 25 -9.426 -8.676 22.524 174 HZ3 LYS 25 3HZ LYS 25 -10.379 -7.396 21.962 175 H LYS 26 H LYS 26 -6.760 -5.766 15.425 176 HA LYS 26 HA LYS 26 -5.641 -7.990 13.965 177 HB2 LYS 26 1HB LYS 26 -7.912 -8.385 13.371 178 HB3 LYS 26 2HB LYS 26 -8.213 -6.673 13.105 179 HG2 LYS 26 1HG LYS 26 -8.052 -7.469 10.956 180 HG3 LYS 26 2HG LYS 26 -6.406 -6.907 11.256 181 HD2 LYS 26 1HD LYS 26 -6.410 -9.104 10.184 182 HD3 LYS 26 2HD LYS 26 -5.722 -9.187 11.807 183 HE2 LYS 26 1HE LYS 26 -8.633 -9.681 11.529 184 HE3 LYS 26 2HE LYS 26 -7.540 -10.925 10.923 185 HZ1 LYS 26 1HZ LYS 26 -8.276 -10.388 13.580 186 HZ2 LYS 26 2HZ LYS 26 -6.611 -10.132 13.428 187 HZ3 LYS 26 3HZ LYS 26 -7.281 -11.623 12.992 188 H ASN 27 H ASN 27 -3.963 -7.276 12.825 189 HA ASN 27 HA ASN 27 -3.665 -4.398 12.428 190 HB2 ASN 27 1HB ASN 27 -1.630 -6.588 11.963 191 HB3 ASN 27 2HB ASN 27 -1.321 -4.855 12.035 192 HD21 ASN 27 1HD2 ASN 27 -1.765 -7.745 13.811 193 HD22 ASN 27 2HD2 ASN 27 -1.510 -7.083 15.386 194 H VAL 28 H VAL 28 -4.753 -3.799 10.628 195 HA VAL 28 HA VAL 28 -4.370 -5.354 8.169 196 HB VAL 28 HB VAL 28 -6.307 -3.086 8.631 197 HG11 VAL 28 1HG1 VAL 28 -5.535 -4.645 6.325 198 HG12 VAL 28 2HG1 VAL 28 -7.258 -4.814 6.668 199 HG13 VAL 28 3HG1 VAL 28 -6.559 -3.213 6.423 200 HG21 VAL 28 1HG2 VAL 28 -7.287 -4.566 10.028 201 HG22 VAL 28 2HG2 VAL 28 -7.871 -5.275 8.523 202 HG23 VAL 28 3HG2 VAL 28 -6.452 -5.950 9.324 203 H PHE 29 H PHE 29 -3.053 -4.653 6.625 204 HA PHE 29 HA PHE 29 -2.089 -1.878 6.770 205 HB2 PHE 29 1HB PHE 29 -0.365 -3.635 7.021 206 HB3 PHE 29 2HB PHE 29 -0.800 -4.269 5.437 207 HD1 PHE 29 1HD PHE 29 -0.760 -0.674 6.075 208 HD2 PHE 29 2HD PHE 29 1.446 -3.995 4.585 209 HE1 PHE 29 1HE PHE 29 0.843 0.867 5.023 210 HE2 PHE 29 2HE PHE 29 3.054 -2.459 3.532 211 HZ PHE 29 HZ PHE 29 2.754 -0.024 3.750 212 H VAL 30 H VAL 30 -3.479 -0.744 5.509 213 HA VAL 30 HA VAL 30 -4.360 -1.761 2.950 214 HB VAL 30 HB VAL 30 -4.772 1.031 4.009 215 HG11 VAL 30 1HG1 VAL 30 -5.546 1.121 1.871 216 HG12 VAL 30 2HG1 VAL 30 -5.893 -0.608 1.805 217 HG13 VAL 30 3HG1 VAL 30 -6.990 0.481 2.654 218 HG21 VAL 30 1HG2 VAL 30 -6.979 0.125 4.834 219 HG22 VAL 30 2HG2 VAL 30 -6.304 -1.490 4.615 220 HG23 VAL 30 3HG2 VAL 30 -5.558 -0.370 5.754 221 H GLU 31 H GLU 31 -4.088 -0.530 0.953 222 HA GLU 31 HA GLU 31 -1.692 1.153 0.864 223 HB2 GLU 31 1HB GLU 31 -0.681 -0.843 0.238 224 HB3 GLU 31 2HB GLU 31 -2.120 -1.433 -0.580 225 HG2 GLU 31 1HG GLU 31 -1.753 0.287 -2.336 226 HG3 GLU 31 2HG GLU 31 -0.231 0.697 -1.547 227 H PHE 32 H PHE 32 -2.570 3.013 0.191 228 HA PHE 32 HA PHE 32 -4.737 3.077 -1.707 229 HB2 PHE 32 1HB PHE 32 -3.112 5.295 -0.447 230 HB3 PHE 32 2HB PHE 32 -4.509 5.551 -1.487 231 HD1 PHE 32 2HD PHE 32 -3.367 4.450 1.803 232 HD2 PHE 32 1HD PHE 32 -6.746 5.091 -0.704 233 HE1 PHE 32 2HE PHE 32 -4.847 4.289 3.762 234 HE2 PHE 32 1HE PHE 32 -8.232 4.932 1.251 235 HZ PHE 32 HZ PHE 32 -7.283 4.529 3.488 236 H TYR 33 H TYR 33 -4.213 2.514 -3.737 237 HA TYR 33 HA TYR 33 -1.821 3.734 -4.943 238 HB2 TYR 33 1HB TYR 33 -1.818 1.920 -6.539 239 HB3 TYR 33 2HB TYR 33 -1.906 1.244 -4.916 240 HD1 TYR 33 2HD TYR 33 -3.980 2.100 -7.878 241 HD2 TYR 33 1HD TYR 33 -3.643 -0.216 -4.325 242 HE1 TYR 33 2HE TYR 33 -5.985 0.830 -8.522 243 HE2 TYR 33 1HE TYR 33 -5.646 -1.494 -4.960 244 HH TYR 33 HH TYR 33 -7.809 -0.528 -7.198 245 H ALA 34 H ALA 34 -2.095 4.008 -7.410 246 HA ALA 34 HA ALA 34 -4.761 5.114 -7.995 247 HB1 ALA 34 1HB ALA 34 -2.630 6.695 -7.496 248 HB2 ALA 34 2HB ALA 34 -2.479 6.490 -9.241 249 HB3 ALA 34 3HB ALA 34 -3.966 7.144 -8.555 250 HA PRO 35 HA PRO 35 -4.483 2.577 -11.602 251 HB2 PRO 35 1HB PRO 35 -6.534 3.688 -12.990 252 HB3 PRO 35 2HB PRO 35 -6.780 2.615 -11.608 253 HG2 PRO 35 1HG PRO 35 -6.861 5.605 -11.721 254 HG3 PRO 35 2HG PRO 35 -7.951 4.487 -10.880 255 HD2 PRO 35 1HD PRO 35 -5.975 5.831 -9.607 256 HD3 PRO 35 2HD PRO 35 -6.503 4.211 -9.108 257 H TRP 36 H TRP 36 -3.725 5.841 -11.443 258 HA TRP 36 HA TRP 36 -2.827 5.840 -14.251 259 HB2 TRP 36 1HB TRP 36 -2.912 8.469 -13.750 260 HB3 TRP 36 2HB TRP 36 -4.299 7.580 -14.373 261 HD1 TRP 36 HD TRP 36 -6.396 7.316 -12.793 262 HE1 TRP 36 1HE TRP 36 -7.049 8.387 -10.545 263 HE3 TRP 36 3HE TRP 36 -1.874 9.324 -11.507 264 HZ2 TRP 36 2HZ TRP 36 -5.811 9.885 -8.498 265 HZ3 TRP 36 3HZ TRP 36 -1.693 10.561 -9.387 266 HH2 TRP 36 HH TRP 36 -3.622 10.835 -7.916 267 H CYS 37 H CYS 37 -1.947 5.994 -10.990 268 HA CYS 37 HA CYS 37 0.430 7.557 -11.252 269 HB2 CYS 37 1HB CYS 37 -0.632 7.360 -9.086 270 HB3 CYS 37 2HB CYS 37 -0.463 5.609 -9.120 271 HG CYS 37 HG CYS 37 1.842 5.518 -8.000 272 H GLY 38 H GLY 38 2.061 6.916 -12.504 273 HA2 GLY 38 1HA GLY 38 2.570 4.395 -13.487 274 HA3 GLY 38 2HA GLY 38 3.802 5.631 -13.280 275 H HIS 39 H HIS 39 3.774 5.815 -10.475 276 HA HIS 39 HA HIS 39 5.581 3.817 -9.766 277 HB2 HIS 39 1HB HIS 39 4.024 5.871 -8.273 278 HB3 HIS 39 2HB HIS 39 4.777 4.581 -7.339 279 HD1 HIS 39 1HD HIS 39 7.449 4.295 -8.752 280 HD2 HIS 39 2HD HIS 39 5.700 7.966 -7.895 281 HE1 HIS 39 1HE HIS 39 9.342 5.950 -8.714 282 HE2 HIS 39 2HE HIS 39 8.272 8.148 -8.110 283 H CYS 40 H CYS 40 2.095 4.029 -9.241 284 HA CYS 40 HA CYS 40 1.787 1.832 -7.547 285 HB2 CYS 40 1HB CYS 40 -0.156 3.045 -7.684 286 HB3 CYS 40 2HB CYS 40 0.014 3.325 -9.413 287 HG CYS 40 HG CYS 40 -2.312 1.831 -8.942 288 H LYS 41 H LYS 41 1.611 1.995 -11.095 289 HA LYS 41 HA LYS 41 0.944 -0.563 -11.741 290 HB2 LYS 41 1HB LYS 41 2.858 1.363 -13.019 291 HB3 LYS 41 2HB LYS 41 2.622 -0.240 -13.703 292 HG2 LYS 41 1HG LYS 41 0.302 0.187 -14.080 293 HG3 LYS 41 2HG LYS 41 0.390 1.714 -13.198 294 HD2 LYS 41 1HD LYS 41 2.193 2.329 -14.967 295 HD3 LYS 41 2HD LYS 41 1.467 1.021 -15.904 296 HE2 LYS 41 1HE LYS 41 -0.182 3.231 -14.713 297 HE3 LYS 41 2HE LYS 41 0.589 3.393 -16.290 298 HZ1 LYS 41 1HZ LYS 41 -0.606 1.066 -16.619 299 HZ2 LYS 41 2HZ LYS 41 -1.377 2.534 -16.953 300 HZ3 LYS 41 3HZ LYS 41 -1.672 1.738 -15.490 301 H GLN 42 H GLN 42 3.887 0.515 -10.271 302 HA GLN 42 HA GLN 42 5.230 -2.026 -10.748 303 HB2 GLN 42 1HB GLN 42 6.106 0.519 -9.382 304 HB3 GLN 42 2HB GLN 42 7.097 -0.932 -9.446 305 HG2 GLN 42 1HG GLN 42 6.035 0.202 -11.984 306 HG3 GLN 42 2HG GLN 42 7.401 0.988 -11.193 307 HE21 GLN 42 1HE2 GLN 42 7.562 -0.166 -13.716 308 HE22 GLN 42 2HE2 GLN 42 8.619 -1.531 -13.638 309 H LEU 43 H LEU 43 3.504 -0.340 -8.253 310 HA LEU 43 HA LEU 43 4.397 -2.062 -6.123 311 HB2 LEU 43 1HB LEU 43 3.585 0.383 -5.975 312 HB3 LEU 43 2HB LEU 43 1.966 -0.313 -6.016 313 HG LEU 43 HG LEU 43 2.556 -1.625 -3.976 314 HD11 LEU 43 1HD1 LEU 43 4.691 -1.783 -3.398 315 HD12 LEU 43 2HD1 LEU 43 4.642 -0.081 -2.938 316 HD13 LEU 43 3HD1 LEU 43 5.154 -0.541 -4.562 317 HD21 LEU 43 1HD2 LEU 43 2.595 0.439 -2.467 318 HD22 LEU 43 2HD2 LEU 43 1.247 0.277 -3.594 319 HD23 LEU 43 3HD2 LEU 43 2.577 1.377 -3.961 320 H ALA 44 H ALA 44 1.997 -2.172 -8.548 321 HA ALA 44 HA ALA 44 -0.087 -3.570 -7.413 322 HB1 ALA 44 1HB ALA 44 0.811 -2.993 -10.031 323 HB2 ALA 44 2HB ALA 44 0.437 -4.715 -9.967 324 HB3 ALA 44 3HB ALA 44 -0.789 -3.530 -9.516 325 HA PRO 45 HA PRO 45 2.284 -7.709 -8.262 326 HB2 PRO 45 1HB PRO 45 4.946 -7.513 -8.755 327 HB3 PRO 45 2HB PRO 45 3.727 -7.475 -10.035 328 HG2 PRO 45 1HG PRO 45 5.172 -5.202 -8.727 329 HG3 PRO 45 2HG PRO 45 4.807 -5.456 -10.444 330 HD2 PRO 45 1HD PRO 45 3.351 -3.799 -8.874 331 HD3 PRO 45 2HD PRO 45 2.638 -4.708 -10.222 332 H ILE 46 H ILE 46 4.555 -5.308 -6.910 333 HA ILE 46 HA ILE 46 5.671 -6.918 -4.936 334 HB ILE 46 HB ILE 46 5.187 -3.940 -4.795 335 HG12 ILE 46 1HG1 ILE 46 7.816 -5.143 -5.527 336 HG13 ILE 46 2HG1 ILE 46 6.552 -5.118 -6.753 337 HG21 ILE 46 1HG2 ILE 46 6.903 -3.852 -3.150 338 HG22 ILE 46 2HG2 ILE 46 5.754 -5.088 -2.640 339 HG23 ILE 46 3HG2 ILE 46 7.288 -5.559 -3.372 340 HD11 ILE 46 1HD1 ILE 46 6.565 -2.554 -5.669 341 HD12 ILE 46 2HD1 ILE 46 8.263 -3.001 -5.842 342 HD13 ILE 46 3HD1 ILE 46 7.189 -3.059 -7.239 343 H TRP 47 H TRP 47 2.755 -4.924 -4.853 344 HA TRP 47 HA TRP 47 2.219 -5.346 -2.090 345 HB2 TRP 47 1HB TRP 47 1.322 -3.469 -3.571 346 HB3 TRP 47 2HB TRP 47 0.168 -4.648 -4.189 347 HD1 TRP 47 HD TRP 47 -2.067 -4.678 -2.955 348 HE1 TRP 47 1HE TRP 47 -2.907 -3.950 -0.633 349 HE3 TRP 47 3HE TRP 47 2.383 -3.220 -0.902 350 HZ2 TRP 47 2HZ TRP 47 -1.826 -2.897 1.752 351 HZ3 TRP 47 3HZ TRP 47 2.393 -2.363 1.405 352 HH2 TRP 47 HH TRP 47 0.331 -2.206 2.703 353 H ASP 48 H ASP 48 1.189 -6.932 -5.068 354 HA ASP 48 HA ASP 48 -0.705 -8.656 -3.827 355 HB2 ASP 48 1HB ASP 48 -1.113 -8.459 -6.091 356 HB3 ASP 48 2HB ASP 48 0.598 -8.498 -6.510 357 H LYS 49 H LYS 49 2.730 -8.786 -4.359 358 HA LYS 49 HA LYS 49 2.995 -11.597 -3.860 359 HB2 LYS 49 1HB LYS 49 4.936 -9.309 -4.068 360 HB3 LYS 49 2HB LYS 49 5.467 -10.904 -3.551 361 HG2 LYS 49 1HG LYS 49 5.172 -11.828 -5.614 362 HG3 LYS 49 2HG LYS 49 3.885 -10.703 -6.056 363 HD2 LYS 49 1HD LYS 49 5.676 -10.036 -7.391 364 HD3 LYS 49 2HD LYS 49 5.735 -8.911 -6.032 365 HE2 LYS 49 1HE LYS 49 7.556 -10.034 -5.049 366 HE3 LYS 49 2HE LYS 49 7.334 -11.455 -6.069 367 HZ1 LYS 49 1HZ LYS 49 7.838 -9.845 -7.979 368 HZ2 LYS 49 2HZ LYS 49 9.127 -10.375 -7.022 369 HZ3 LYS 49 3HZ LYS 49 8.477 -8.832 -6.784 370 H LEU 50 H LEU 50 2.884 -8.724 -1.924 371 HA LEU 50 HA LEU 50 3.969 -10.033 0.426 372 HB2 LEU 50 1HB LEU 50 4.590 -7.840 0.485 373 HB3 LEU 50 2HB LEU 50 3.107 -7.288 -0.293 374 HG LEU 50 HG LEU 50 1.951 -7.810 1.923 375 HD11 LEU 50 1HD1 LEU 50 3.208 -8.899 3.407 376 HD12 LEU 50 2HD1 LEU 50 4.003 -7.351 3.693 377 HD13 LEU 50 3HD1 LEU 50 4.704 -8.506 2.560 378 HD21 LEU 50 1HD2 LEU 50 2.796 -5.539 0.948 379 HD22 LEU 50 2HD2 LEU 50 3.976 -5.642 2.255 380 HD23 LEU 50 3HD2 LEU 50 2.250 -5.638 2.622 381 H GLY 51 H GLY 51 0.848 -9.014 -0.843 382 HA2 GLY 51 1HA GLY 51 -0.702 -9.366 1.463 383 HA3 GLY 51 2HA GLY 51 -1.295 -9.503 -0.186 384 H GLU 52 H GLU 52 0.188 -11.695 -1.061 385 HA GLU 52 HA GLU 52 -1.377 -13.828 -0.116 386 HB2 GLU 52 1HB GLU 52 -0.279 -15.150 -1.668 387 HB3 GLU 52 2HB GLU 52 -0.065 -13.543 -2.349 388 HG2 GLU 52 1HG GLU 52 2.180 -13.426 -1.569 389 HG3 GLU 52 2HG GLU 52 1.987 -14.899 -0.621 390 H THR 53 H THR 53 1.686 -12.560 0.915 391 HA THR 53 HA THR 53 2.603 -14.833 2.339 392 HB THR 53 HB THR 53 3.260 -11.921 2.828 393 HG1 THR 53 1HG THR 53 4.269 -12.123 0.984 394 HG21 THR 53 1HG2 THR 53 4.589 -14.484 3.701 395 HG22 THR 53 2HG2 THR 53 3.949 -13.195 4.721 396 HG23 THR 53 3HG2 THR 53 5.389 -12.913 3.743 397 H TYR 54 H TYR 54 0.601 -12.067 3.214 398 HA TYR 54 HA TYR 54 0.127 -13.321 5.839 399 HB2 TYR 54 1HB TYR 54 -0.142 -10.392 5.137 400 HB3 TYR 54 2HB TYR 54 -0.346 -11.110 6.731 401 HD1 TYR 54 2HD TYR 54 2.151 -10.480 4.059 402 HD2 TYR 54 1HD TYR 54 1.500 -11.416 8.158 403 HE1 TYR 54 2HE TYR 54 4.544 -10.139 4.511 404 HE2 TYR 54 1HE TYR 54 3.891 -11.076 8.622 405 HH TYR 54 HH TYR 54 6.222 -10.907 6.227 406 H LYS 55 H LYS 55 -1.250 -13.951 3.375 407 HA LYS 55 HA LYS 55 -3.813 -12.657 3.423 408 HB2 LYS 55 1HB LYS 55 -4.390 -14.040 1.614 409 HB3 LYS 55 2HB LYS 55 -2.670 -13.739 1.404 410 HG2 LYS 55 1HG LYS 55 -2.251 -15.938 2.545 411 HG3 LYS 55 2HG LYS 55 -3.988 -16.234 2.439 412 HD2 LYS 55 1HD LYS 55 -3.942 -16.509 0.171 413 HD3 LYS 55 2HD LYS 55 -2.563 -15.427 -0.041 414 HE2 LYS 55 1HE LYS 55 -1.548 -17.431 -0.454 415 HE3 LYS 55 2HE LYS 55 -1.312 -17.333 1.290 416 HZ1 LYS 55 1HZ LYS 55 -2.917 -19.168 -0.248 417 HZ2 LYS 55 2HZ LYS 55 -3.717 -18.528 1.097 418 HZ3 LYS 55 3HZ LYS 55 -2.250 -19.346 1.297 419 H ASP 56 H ASP 56 -2.406 -15.542 4.801 420 HA ASP 56 HA ASP 56 -5.012 -16.191 6.018 421 HB2 ASP 56 1HB ASP 56 -4.064 -17.940 4.499 422 HB3 ASP 56 2HB ASP 56 -2.685 -18.074 5.588 423 H HIS 57 H HIS 57 -2.822 -14.316 6.887 424 HA HIS 57 HA HIS 57 -1.455 -15.409 9.093 425 HB2 HIS 57 1HB HIS 57 -1.369 -13.025 7.795 426 HB3 HIS 57 2HB HIS 57 -2.214 -12.559 9.268 427 HD1 HIS 57 1HD HIS 57 -0.878 -12.580 11.458 428 HD2 HIS 57 2HD HIS 57 1.311 -13.816 8.150 429 HE1 HIS 57 1HE HIS 57 1.519 -12.627 12.218 430 HE2 HIS 57 2HE HIS 57 2.833 -13.295 10.176 431 H GLU 58 H GLU 58 -1.899 -14.064 11.326 432 HA GLU 58 HA GLU 58 -4.624 -14.866 12.082 433 HB2 GLU 58 1HB GLU 58 -3.837 -15.251 14.276 434 HB3 GLU 58 2HB GLU 58 -2.608 -15.923 13.213 435 HG2 GLU 58 1HG GLU 58 -1.304 -14.812 14.717 436 HG3 GLU 58 2HG GLU 58 -1.510 -13.566 13.487 437 H ASN 59 H ASN 59 -2.253 -12.265 12.397 438 HA ASN 59 HA ASN 59 -4.445 -10.475 13.218 439 HB2 ASN 59 1HB ASN 59 -2.904 -9.210 14.565 440 HB3 ASN 59 2HB ASN 59 -2.758 -10.905 15.020 441 HD21 ASN 59 1HD2 ASN 59 -0.907 -12.051 14.439 442 HD22 ASN 59 2HD2 ASN 59 0.549 -11.250 13.964 443 H ILE 60 H ILE 60 -1.659 -10.987 11.198 444 HA ILE 60 HA ILE 60 -1.701 -8.304 10.112 445 HB ILE 60 HB ILE 60 -0.161 -10.704 9.122 446 HG12 ILE 60 1HG1 ILE 60 0.667 -8.527 11.054 447 HG13 ILE 60 2HG1 ILE 60 0.393 -10.218 11.459 448 HG21 ILE 60 1HG2 ILE 60 -0.522 -8.103 8.066 449 HG22 ILE 60 2HG2 ILE 60 1.134 -8.214 8.661 450 HG23 ILE 60 3HG2 ILE 60 0.540 -9.385 7.483 451 HD11 ILE 60 1HD1 ILE 60 2.335 -9.824 9.320 452 HD12 ILE 60 2HD1 ILE 60 2.804 -9.106 10.861 453 HD13 ILE 60 3HD1 ILE 60 2.422 -10.825 10.769 454 H VAL 61 H VAL 61 -3.172 -7.710 8.673 455 HA VAL 61 HA VAL 61 -3.994 -9.651 6.616 456 HB VAL 61 HB VAL 61 -5.701 -7.918 8.344 457 HG11 VAL 61 1HG1 VAL 61 -6.136 -8.453 5.437 458 HG12 VAL 61 2HG1 VAL 61 -7.519 -8.365 6.531 459 HG13 VAL 61 3HG1 VAL 61 -6.434 -6.983 6.365 460 HG21 VAL 61 1HG2 VAL 61 -5.448 -10.369 8.701 461 HG22 VAL 61 2HG2 VAL 61 -7.111 -9.859 8.410 462 HG23 VAL 61 3HG2 VAL 61 -6.187 -10.630 7.121 463 H ILE 62 H ILE 62 -3.064 -8.934 4.804 464 HA ILE 62 HA ILE 62 -2.589 -6.142 4.316 465 HB ILE 62 HB ILE 62 -2.274 -8.502 2.456 466 HG12 ILE 62 1HG1 ILE 62 -0.876 -8.608 4.510 467 HG13 ILE 62 2HG1 ILE 62 0.078 -8.437 3.041 468 HG21 ILE 62 1HG2 ILE 62 -0.535 -6.343 1.840 469 HG22 ILE 62 2HG2 ILE 62 -1.815 -7.043 0.851 470 HG23 ILE 62 3HG2 ILE 62 -2.179 -5.714 1.951 471 HD11 ILE 62 1HD1 ILE 62 0.548 -6.173 3.502 472 HD12 ILE 62 2HD1 ILE 62 -0.663 -6.109 4.783 473 HD13 ILE 62 3HD1 ILE 62 0.808 -7.055 5.007 474 H ALA 63 H ALA 63 -3.611 -4.794 2.887 475 HA ALA 63 HA ALA 63 -5.781 -5.790 1.235 476 HB1 ALA 63 1HB ALA 63 -6.868 -3.543 2.587 477 HB2 ALA 63 2HB ALA 63 -7.454 -5.207 2.568 478 HB3 ALA 63 3HB ALA 63 -6.301 -4.692 3.799 479 H LYS 64 H LYS 64 -6.586 -4.188 -0.269 480 HA LYS 64 HA LYS 64 -4.846 -1.839 -0.580 481 HB2 LYS 64 1HB LYS 64 -4.646 -2.231 -2.959 482 HB3 LYS 64 2HB LYS 64 -4.079 -3.651 -2.088 483 HG2 LYS 64 1HG LYS 64 -6.128 -4.820 -2.562 484 HG3 LYS 64 2HG LYS 64 -6.818 -3.378 -3.310 485 HD2 LYS 64 1HD LYS 64 -5.045 -3.450 -5.022 486 HD3 LYS 64 2HD LYS 64 -4.421 -4.930 -4.289 487 HE2 LYS 64 1HE LYS 64 -6.715 -5.926 -4.662 488 HE3 LYS 64 2HE LYS 64 -7.075 -4.506 -5.643 489 HZ1 LYS 64 1HZ LYS 64 -5.761 -5.214 -7.311 490 HZ2 LYS 64 2HZ LYS 64 -6.047 -6.738 -6.636 491 HZ3 LYS 64 3HZ LYS 64 -4.613 -5.912 -6.283 492 H MET 65 H MET 65 -5.803 -0.021 -1.460 493 HA MET 65 HA MET 65 -8.620 -0.199 -2.239 494 HB2 MET 65 1HB MET 65 -8.359 0.396 0.230 495 HB3 MET 65 2HB MET 65 -7.664 1.916 -0.316 496 HG2 MET 65 1HG MET 65 -9.683 2.579 -1.346 497 HG3 MET 65 2HG MET 65 -10.377 0.967 -1.181 498 HE1 MET 65 1HE MET 65 -10.325 4.509 1.327 499 HE2 MET 65 2HE MET 65 -10.450 4.189 -0.403 500 HE3 MET 65 3HE MET 65 -11.881 4.068 0.622 501 H ASP 66 H ASP 66 -9.322 1.431 -3.632 502 HA ASP 66 HA ASP 66 -7.154 2.858 -4.979 503 HB2 ASP 66 1HB ASP 66 -8.568 1.506 -6.412 504 HB3 ASP 66 2HB ASP 66 -10.011 2.316 -5.809 505 H SER 67 H SER 67 -6.760 4.729 -3.929 506 HA SER 67 HA SER 67 -8.696 6.312 -2.634 507 HB2 SER 67 1HB SER 67 -6.056 6.300 -2.496 508 HB3 SER 67 2HB SER 67 -6.204 7.555 -3.726 509 HG SER 67 HG SER 67 -7.912 8.308 -2.011 510 H THR 68 H THR 68 -7.873 5.971 -5.933 511 HA THR 68 HA THR 68 -8.913 8.565 -6.719 512 HB THR 68 HB THR 68 -8.212 8.094 -8.896 513 HG1 THR 68 1HG THR 68 -8.261 6.127 -9.766 514 HG21 THR 68 1HG2 THR 68 -6.248 6.333 -7.487 515 HG22 THR 68 2HG2 THR 68 -6.391 8.029 -7.023 516 HG23 THR 68 3HG2 THR 68 -5.963 7.600 -8.679 517 H ALA 69 H ALA 69 -10.120 5.444 -6.131 518 HA ALA 69 HA ALA 69 -12.554 6.017 -7.690 519 HB1 ALA 69 1HB ALA 69 -12.981 3.534 -7.437 520 HB2 ALA 69 2HB ALA 69 -11.636 3.993 -8.482 521 HB3 ALA 69 3HB ALA 69 -11.323 3.406 -6.849 522 H ASN 70 H ASN 70 -11.251 5.618 -4.551 523 HA ASN 70 HA ASN 70 -13.937 5.897 -3.410 524 HB2 ASN 70 1HB ASN 70 -11.839 4.022 -2.295 525 HB3 ASN 70 2HB ASN 70 -13.455 4.293 -1.647 526 HD21 ASN 70 1HD2 ASN 70 -11.552 2.565 -3.870 527 HD22 ASN 70 2HD2 ASN 70 -12.821 1.658 -4.612 528 H GLU 71 H GLU 71 -14.075 7.319 -1.753 529 HA GLU 71 HA GLU 71 -11.558 8.388 -0.660 530 HB2 GLU 71 1HB GLU 71 -12.951 9.813 -2.405 531 HB3 GLU 71 2HB GLU 71 -13.919 10.185 -0.985 532 HG2 GLU 71 1HG GLU 71 -11.948 11.044 0.152 533 HG3 GLU 71 2HG GLU 71 -10.955 10.641 -1.247 534 H VAL 72 H VAL 72 -11.542 8.915 1.498 535 HA VAL 72 HA VAL 72 -14.016 8.682 3.031 536 HB VAL 72 HB VAL 72 -12.903 7.184 4.693 537 HG11 VAL 72 1HG1 VAL 72 -13.761 5.341 3.697 538 HG12 VAL 72 2HG1 VAL 72 -14.360 6.532 2.541 539 HG13 VAL 72 3HG1 VAL 72 -12.893 5.617 2.188 540 HG21 VAL 72 1HG2 VAL 72 -10.743 7.359 2.678 541 HG22 VAL 72 2HG2 VAL 72 -10.648 7.175 4.430 542 HG23 VAL 72 3HG2 VAL 72 -11.021 5.781 3.416 543 H GLU 73 H GLU 73 -14.036 9.872 4.899 544 HA GLU 73 HA GLU 73 -12.106 11.951 5.134 545 HB2 GLU 73 1HB GLU 73 -13.433 12.750 6.976 546 HB3 GLU 73 2HB GLU 73 -14.516 12.210 5.701 547 HG2 GLU 73 1HG GLU 73 -15.164 10.314 6.883 548 HG3 GLU 73 2HG GLU 73 -13.773 10.398 7.963 549 H ALA 74 H ALA 74 -12.672 8.919 6.799 550 HA ALA 74 HA ALA 74 -11.055 9.323 9.048 551 HB1 ALA 74 1HB ALA 74 -11.000 6.601 7.981 552 HB2 ALA 74 2HB ALA 74 -11.568 7.200 9.540 553 HB3 ALA 74 3HB ALA 74 -12.620 7.284 8.127 554 H VAL 75 H VAL 75 -10.210 9.013 5.768 555 HA VAL 75 HA VAL 75 -7.383 9.019 6.470 556 HB VAL 75 HB VAL 75 -8.681 6.894 4.794 557 HG11 VAL 75 1HG1 VAL 75 -6.239 6.339 4.146 558 HG12 VAL 75 2HG1 VAL 75 -7.095 7.596 3.250 559 HG13 VAL 75 3HG1 VAL 75 -5.930 8.039 4.499 560 HG21 VAL 75 1HG2 VAL 75 -8.298 5.936 6.814 561 HG22 VAL 75 2HG2 VAL 75 -6.698 5.685 6.117 562 HG23 VAL 75 3HG2 VAL 75 -6.979 7.038 7.212 563 H LYS 76 H LYS 76 -6.663 10.803 5.524 564 HA LYS 76 HA LYS 76 -7.759 11.583 2.913 565 HB2 LYS 76 1HB LYS 76 -6.468 13.108 5.150 566 HB3 LYS 76 2HB LYS 76 -6.470 13.771 3.521 567 HG2 LYS 76 1HG LYS 76 -8.993 12.872 4.871 568 HG3 LYS 76 2HG LYS 76 -8.337 14.498 5.083 569 HD2 LYS 76 1HD LYS 76 -8.723 15.082 2.882 570 HD3 LYS 76 2HD LYS 76 -8.707 13.406 2.326 571 HE2 LYS 76 1HE LYS 76 -10.960 14.319 2.244 572 HE3 LYS 76 2HE LYS 76 -10.857 13.024 3.435 573 HZ1 LYS 76 1HZ LYS 76 -11.316 14.419 5.104 574 HZ2 LYS 76 2HZ LYS 76 -11.922 15.442 3.902 575 HZ3 LYS 76 3HZ LYS 76 -10.350 15.664 4.488 576 H VAL 77 H VAL 77 -6.590 10.720 1.312 577 HA VAL 77 HA VAL 77 -3.662 10.672 1.559 578 HB VAL 77 HB VAL 77 -5.327 9.283 -0.540 579 HG11 VAL 77 1HG1 VAL 77 -2.467 8.982 0.361 580 HG12 VAL 77 2HG1 VAL 77 -3.283 7.874 -0.743 581 HG13 VAL 77 3HG1 VAL 77 -3.040 9.559 -1.203 582 HG21 VAL 77 1HG2 VAL 77 -4.131 7.734 1.677 583 HG22 VAL 77 2HG2 VAL 77 -5.564 8.687 2.060 584 HG23 VAL 77 3HG2 VAL 77 -5.630 7.469 0.786 585 H HIS 78 H HIS 78 -2.673 12.376 0.709 586 HA HIS 78 HA HIS 78 -3.816 13.621 -1.701 587 HB2 HIS 78 1HB HIS 78 -1.902 14.803 0.322 588 HB3 HIS 78 2HB HIS 78 -2.576 15.643 -1.071 589 HD1 HIS 78 1HD HIS 78 -5.528 14.827 -0.789 590 HD2 HIS 78 2HD HIS 78 -3.145 16.096 2.369 591 HE1 HIS 78 1HE HIS 78 -7.124 15.687 0.954 592 HE2 HIS 78 2HE HIS 78 -5.655 16.528 2.820 593 H SER 79 H SER 79 -2.059 11.232 -1.552 594 HA SER 79 HA SER 79 -0.315 11.907 -3.692 595 HB2 SER 79 1HB SER 79 0.804 11.755 -0.933 596 HB3 SER 79 2HB SER 79 1.742 11.034 -2.240 597 HG SER 79 HG SER 79 1.084 13.708 -1.775 598 H PHE 80 H PHE 80 1.012 10.016 -4.380 599 HA PHE 80 HA PHE 80 0.387 7.442 -3.271 600 HB2 PHE 80 1HB PHE 80 -0.569 7.911 -6.089 601 HB3 PHE 80 2HB PHE 80 -0.905 6.543 -5.032 602 HD1 PHE 80 1HD PHE 80 -2.440 6.840 -3.095 603 HD2 PHE 80 2HD PHE 80 -1.926 9.837 -6.073 604 HE1 PHE 80 1HE PHE 80 -4.537 7.909 -2.377 605 HE2 PHE 80 2HE PHE 80 -4.021 10.911 -5.360 606 HZ PHE 80 HZ PHE 80 -5.329 9.947 -3.509 607 HA PRO 81 HA PRO 81 0.402 5.292 -4.215 608 HB2 PRO 81 1HB PRO 81 2.180 3.451 -3.310 609 HB3 PRO 81 2HB PRO 81 1.650 3.526 -4.994 610 HG2 PRO 81 1HG PRO 81 4.160 4.581 -3.750 611 HG3 PRO 81 2HG PRO 81 3.949 3.717 -5.285 612 HD2 PRO 81 1HD PRO 81 4.233 6.407 -5.153 613 HD3 PRO 81 2HD PRO 81 3.250 5.610 -6.398 614 H THR 82 H THR 82 -0.348 5.025 -2.155 615 HA THR 82 HA THR 82 1.349 6.029 0.036 616 HB THR 82 HB THR 82 -1.563 6.601 -0.492 617 HG1 THR 82 1HG THR 82 0.825 8.050 -0.394 618 HG21 THR 82 1HG2 THR 82 -1.714 7.590 1.720 619 HG22 THR 82 2HG2 THR 82 -0.050 7.120 2.070 620 HG23 THR 82 3HG2 THR 82 -1.290 5.884 1.857 621 H LEU 83 H LEU 83 1.438 4.810 1.838 622 HA LEU 83 HA LEU 83 -0.363 2.482 1.993 623 HB2 LEU 83 1HB LEU 83 2.429 2.589 3.101 624 HB3 LEU 83 2HB LEU 83 1.395 1.176 2.895 625 HG LEU 83 HG LEU 83 2.660 2.769 0.666 626 HD11 LEU 83 1HD1 LEU 83 3.334 0.069 1.823 627 HD12 LEU 83 2HD1 LEU 83 4.328 1.524 1.883 628 HD13 LEU 83 3HD1 LEU 83 4.016 0.733 0.338 629 HD21 LEU 83 1HD2 LEU 83 0.778 0.443 0.727 630 HD22 LEU 83 2HD2 LEU 83 1.920 0.637 -0.603 631 HD23 LEU 83 3HD2 LEU 83 0.729 1.896 -0.272 632 H LYS 84 H LYS 84 -1.422 2.128 3.861 633 HA LYS 84 HA LYS 84 -0.676 3.740 6.207 634 HB2 LYS 84 1HB LYS 84 -3.477 3.273 5.166 635 HB3 LYS 84 2HB LYS 84 -3.085 4.061 6.688 636 HG2 LYS 84 1HG LYS 84 -1.651 5.608 5.080 637 HG3 LYS 84 2HG LYS 84 -2.861 5.069 3.913 638 HD2 LYS 84 1HD LYS 84 -4.641 5.924 5.252 639 HD3 LYS 84 2HD LYS 84 -3.550 6.240 6.603 640 HE2 LYS 84 1HE LYS 84 -2.322 7.735 4.809 641 HE3 LYS 84 2HE LYS 84 -3.917 7.740 4.057 642 HZ1 LYS 84 1HZ LYS 84 -4.844 8.856 5.823 643 HZ2 LYS 84 2HZ LYS 84 -3.307 9.559 5.766 644 HZ3 LYS 84 3HZ LYS 84 -3.651 8.370 6.919 645 H PHE 85 H PHE 85 -0.438 2.586 8.006 646 HA PHE 85 HA PHE 85 -1.379 -0.191 8.008 647 HB2 PHE 85 1HB PHE 85 0.983 -0.004 8.397 648 HB3 PHE 85 2HB PHE 85 0.737 1.223 9.636 649 HD1 PHE 85 1HD PHE 85 -0.264 0.587 11.814 650 HD2 PHE 85 2HD PHE 85 0.851 -2.308 8.900 651 HE1 PHE 85 1HE PHE 85 -0.316 -1.165 13.541 652 HE2 PHE 85 2HE PHE 85 0.800 -4.065 10.622 653 HZ PHE 85 HZ PHE 85 0.215 -3.495 12.945 654 H PHE 86 H PHE 86 -3.121 -0.701 9.141 655 HA PHE 86 HA PHE 86 -4.044 1.140 11.229 656 HB2 PHE 86 1HB PHE 86 -5.522 -1.070 9.785 657 HB3 PHE 86 2HB PHE 86 -6.224 0.006 10.989 658 HD1 PHE 86 1HD PHE 86 -4.568 -0.014 7.667 659 HD2 PHE 86 2HD PHE 86 -7.152 2.040 10.354 660 HE1 PHE 86 1HE PHE 86 -5.127 1.596 5.893 661 HE2 PHE 86 2HE PHE 86 -7.716 3.653 8.584 662 HZ PHE 86 HZ PHE 86 -6.703 3.432 6.350 663 HA PRO 87 HA PRO 87 -2.469 -1.983 14.056 664 HB2 PRO 87 1HB PRO 87 -2.792 -0.457 16.278 665 HB3 PRO 87 2HB PRO 87 -1.425 -0.268 15.174 666 HG2 PRO 87 1HG PRO 87 -3.951 1.328 15.352 667 HG3 PRO 87 2HG PRO 87 -2.285 1.892 15.128 668 HD2 PRO 87 1HD PRO 87 -4.038 1.674 13.076 669 HD3 PRO 87 2HD PRO 87 -2.293 1.414 12.873 670 H ALA 88 H ALA 88 -3.351 -2.922 16.120 671 HA ALA 88 HA ALA 88 -6.163 -3.475 15.769 672 HB1 ALA 88 1HB ALA 88 -4.387 -5.189 16.354 673 HB2 ALA 88 2HB ALA 88 -4.413 -4.511 17.983 674 HB3 ALA 88 3HB ALA 88 -5.871 -5.236 17.306 675 H SER 89 H SER 89 -5.778 -0.806 16.441 676 HA SER 89 HA SER 89 -6.587 -0.641 19.261 677 HB2 SER 89 1HB SER 89 -6.098 1.790 19.037 678 HB3 SER 89 2HB SER 89 -4.694 0.777 18.704 679 HG SER 89 HG SER 89 -4.735 2.187 17.049 680 H ALA 90 H ALA 90 -8.554 0.108 19.853 681 HA ALA 90 HA ALA 90 -10.566 0.328 17.782 682 HB1 ALA 90 1HB ALA 90 -11.868 0.810 20.140 683 HB2 ALA 90 2HB ALA 90 -11.642 -0.776 19.402 684 HB3 ALA 90 3HB ALA 90 -10.528 -0.218 20.650 685 H ASP 91 H ASP 91 -8.483 2.452 18.243 686 HA ASP 91 HA ASP 91 -10.282 4.716 18.800 687 HB2 ASP 91 1HB ASP 91 -7.261 4.598 18.929 688 HB3 ASP 91 2HB ASP 91 -8.240 6.025 19.257 689 H ARG 92 H ARG 92 -10.143 3.303 16.274 690 HA ARG 92 HA ARG 92 -9.660 3.613 14.034 691 HB2 ARG 92 1HB ARG 92 -10.596 6.411 14.652 692 HB3 ARG 92 2HB ARG 92 -10.831 5.494 13.170 693 HG2 ARG 92 1HG ARG 92 -12.566 4.292 14.022 694 HG3 ARG 92 2HG ARG 92 -11.964 4.387 15.678 695 HD2 ARG 92 1HD ARG 92 -13.790 5.786 15.776 696 HD3 ARG 92 2HD ARG 92 -12.493 6.927 15.422 697 HE ARG 92 HE ARG 92 -13.762 5.920 13.062 698 HH11 ARG 92 2HH1 ARG 92 -13.983 8.282 15.610 699 HH12 ARG 92 1HH1 ARG 92 -14.937 9.389 14.679 700 HH21 ARG 92 2HH2 ARG 92 -15.017 7.369 11.826 701 HH22 ARG 92 1HH2 ARG 92 -15.524 8.868 12.526 702 H THR 93 H THR 93 -7.269 3.741 15.212 703 HA THR 93 HA THR 93 -5.967 6.235 14.424 704 HB THR 93 HB THR 93 -4.899 3.822 15.898 705 HG1 THR 93 1HG THR 93 -6.155 5.031 17.260 706 HG21 THR 93 1HG2 THR 93 -3.555 6.218 14.763 707 HG22 THR 93 2HG2 THR 93 -2.951 4.574 14.969 708 HG23 THR 93 3HG2 THR 93 -3.037 5.663 16.354 709 H VAL 94 H VAL 94 -4.350 6.363 12.886 710 HA VAL 94 HA VAL 94 -3.875 3.957 11.258 711 HB VAL 94 HB VAL 94 -4.565 6.718 10.259 712 HG11 VAL 94 1HG1 VAL 94 -3.179 6.376 8.553 713 HG12 VAL 94 2HG1 VAL 94 -2.830 4.730 9.083 714 HG13 VAL 94 3HG1 VAL 94 -4.230 5.049 8.059 715 HG21 VAL 94 1HG2 VAL 94 -6.574 5.642 10.486 716 HG22 VAL 94 2HG2 VAL 94 -6.134 5.132 8.856 717 HG23 VAL 94 3HG2 VAL 94 -5.875 4.044 10.219 718 H ILE 95 H ILE 95 -1.785 3.516 11.095 719 HA ILE 95 HA ILE 95 0.179 5.532 11.826 720 HB ILE 95 HB ILE 95 0.511 2.600 11.182 721 HG12 ILE 95 1HG1 ILE 95 0.567 4.105 13.806 722 HG13 ILE 95 2HG1 ILE 95 -0.702 3.011 13.268 723 HG21 ILE 95 1HG2 ILE 95 2.534 4.553 12.271 724 HG22 ILE 95 2HG2 ILE 95 2.785 2.828 12.004 725 HG23 ILE 95 3HG2 ILE 95 2.517 3.903 10.632 726 HD11 ILE 95 1HD1 ILE 95 0.644 1.839 14.823 727 HD12 ILE 95 2HD1 ILE 95 1.017 1.194 13.224 728 HD13 ILE 95 3HD1 ILE 95 2.128 2.323 14.001 729 H ASP 96 H ASP 96 1.764 6.331 10.499 730 HA ASP 96 HA ASP 96 1.259 6.078 7.640 731 HB2 ASP 96 1HB ASP 96 2.943 7.961 7.492 732 HB3 ASP 96 2HB ASP 96 1.470 8.333 8.384 733 H TYR 97 H TYR 97 2.389 4.749 6.401 734 HA TYR 97 HA TYR 97 4.747 3.435 7.442 735 HB2 TYR 97 1HB TYR 97 3.025 2.166 6.201 736 HB3 TYR 97 2HB TYR 97 3.374 3.120 4.764 737 HD1 TYR 97 1HD TYR 97 5.428 2.769 3.505 738 HD2 TYR 97 2HD TYR 97 4.558 0.446 6.962 739 HE1 TYR 97 1HE TYR 97 7.182 1.168 2.863 740 HE2 TYR 97 2HE TYR 97 6.310 -1.160 6.330 741 HH TYR 97 HH TYR 97 8.695 -0.588 4.325 742 H ASN 98 H ASN 98 6.727 4.200 7.182 743 HA ASN 98 HA ASN 98 7.376 5.661 4.717 744 HB2 ASN 98 1HB ASN 98 8.960 7.014 6.336 745 HB3 ASN 98 2HB ASN 98 7.277 7.488 6.124 746 HD21 ASN 98 1HD2 ASN 98 5.739 6.697 7.723 747 HD22 ASN 98 2HD2 ASN 98 6.266 6.491 9.355 748 H GLY 99 H GLY 99 8.030 3.224 4.509 749 HA2 GLY 99 1HA GLY 99 10.801 2.942 5.496 750 HA3 GLY 99 2HA GLY 99 9.727 1.583 5.199 751 H GLU 100 H GLU 100 11.210 0.615 3.784 752 HA GLU 100 HA GLU 100 12.218 1.994 1.491 753 HB2 GLU 100 1HB GLU 100 12.687 -0.500 0.791 754 HB3 GLU 100 2HB GLU 100 13.623 0.268 2.065 755 HG2 GLU 100 1HG GLU 100 11.162 -1.192 2.842 756 HG3 GLU 100 2HG GLU 100 12.568 -2.134 2.349 757 H ARG 101 H ARG 101 9.259 0.514 2.246 758 HA ARG 101 HA ARG 101 7.372 0.085 1.051 759 HB2 ARG 101 1HB ARG 101 8.145 2.425 0.141 760 HB3 ARG 101 2HB ARG 101 8.497 1.517 -1.323 761 HG2 ARG 101 1HG ARG 101 6.163 0.740 -1.376 762 HG3 ARG 101 2HG ARG 101 5.826 1.722 0.051 763 HD2 ARG 101 1HD ARG 101 7.061 3.015 -2.333 764 HD3 ARG 101 2HD ARG 101 5.342 2.628 -2.370 765 HE ARG 101 HE ARG 101 4.956 4.266 -0.789 766 HH11 ARG 101 2HH1 ARG 101 8.377 3.764 -1.196 767 HH12 ARG 101 1HH1 ARG 101 8.823 5.180 -0.304 768 HH21 ARG 101 2HH2 ARG 101 5.531 6.133 0.388 769 HH22 ARG 101 1HH2 ARG 101 7.204 6.526 0.598 770 H THR 102 H THR 102 9.418 -1.850 0.984 771 HA THR 102 HA THR 102 9.079 -2.973 -1.722 772 HB THR 102 HB THR 102 11.143 -4.269 -1.335 773 HG1 THR 102 1HG THR 102 11.081 -2.861 1.122 774 HG21 THR 102 1HG2 THR 102 12.659 -2.088 -1.090 775 HG22 THR 102 2HG2 THR 102 11.103 -1.301 -1.355 776 HG23 THR 102 3HG2 THR 102 11.734 -2.433 -2.551 777 H LEU 103 H LEU 103 9.041 -5.363 -1.803 778 HA LEU 103 HA LEU 103 7.009 -6.448 -0.278 779 HB2 LEU 103 1HB LEU 103 7.659 -7.431 -2.366 780 HB3 LEU 103 2HB LEU 103 9.261 -7.814 -1.739 781 HG LEU 103 HG LEU 103 8.215 -9.430 -0.178 782 HD11 LEU 103 1HD1 LEU 103 5.758 -9.939 -1.348 783 HD12 LEU 103 2HD1 LEU 103 5.805 -8.184 -1.188 784 HD13 LEU 103 3HD1 LEU 103 6.042 -9.204 0.230 785 HD21 LEU 103 1HD2 LEU 103 8.298 -11.095 -1.710 786 HD22 LEU 103 2HD2 LEU 103 8.920 -9.799 -2.733 787 HD23 LEU 103 3HD2 LEU 103 7.222 -10.266 -2.835 788 H ASP 104 H ASP 104 10.515 -6.874 0.140 789 HA ASP 104 HA ASP 104 10.232 -8.447 2.511 790 HB2 ASP 104 1HB ASP 104 12.229 -8.248 0.787 791 HB3 ASP 104 2HB ASP 104 12.762 -6.984 1.892 792 H GLY 105 H GLY 105 10.791 -5.042 1.815 793 HA2 GLY 105 1HA GLY 105 11.476 -4.214 4.418 794 HA3 GLY 105 2HA GLY 105 10.791 -3.187 3.167 795 H PHE 106 H PHE 106 8.362 -4.762 2.892 796 HA PHE 106 HA PHE 106 6.783 -3.452 4.837 797 HB2 PHE 106 1HB PHE 106 6.103 -5.695 2.927 798 HB3 PHE 106 2HB PHE 106 4.918 -4.830 3.899 799 HD1 PHE 106 2HD PHE 106 5.699 -2.071 3.692 800 HD2 PHE 106 1HD PHE 106 5.787 -5.121 0.725 801 HE1 PHE 106 2HE PHE 106 5.505 -0.361 1.934 802 HE2 PHE 106 1HE PHE 106 5.594 -3.416 -1.038 803 HZ PHE 106 HZ PHE 106 5.452 -1.033 -0.435 804 H LYS 107 H LYS 107 7.773 -6.836 4.452 805 HA LYS 107 HA LYS 107 6.355 -7.964 6.550 806 HB2 LYS 107 1HB LYS 107 9.162 -8.726 5.730 807 HB3 LYS 107 2HB LYS 107 7.974 -9.756 6.518 808 HG2 LYS 107 1HG LYS 107 6.536 -9.306 4.420 809 HG3 LYS 107 2HG LYS 107 8.059 -8.797 3.688 810 HD2 LYS 107 1HD LYS 107 8.892 -11.096 4.706 811 HD3 LYS 107 2HD LYS 107 7.178 -11.496 4.577 812 HE2 LYS 107 1HE LYS 107 8.496 -10.238 2.231 813 HE3 LYS 107 2HE LYS 107 8.883 -11.920 2.588 814 HZ1 LYS 107 1HZ LYS 107 6.893 -11.346 1.053 815 HZ2 LYS 107 2HZ LYS 107 6.069 -11.074 2.506 816 HZ3 LYS 107 3HZ LYS 107 6.742 -12.593 2.186 817 H LYS 108 H LYS 108 9.460 -6.280 6.591 818 HA LYS 108 HA LYS 108 10.146 -6.802 9.262 819 HB2 LYS 108 1HB LYS 108 10.826 -4.268 7.776 820 HB3 LYS 108 2HB LYS 108 11.749 -5.053 9.051 821 HG2 LYS 108 1HG LYS 108 11.936 -7.022 7.401 822 HG3 LYS 108 2HG LYS 108 11.452 -5.841 6.181 823 HD2 LYS 108 1HD LYS 108 13.824 -5.870 6.191 824 HD3 LYS 108 2HD LYS 108 13.338 -4.385 7.013 825 HE2 LYS 108 1HE LYS 108 13.715 -5.426 9.171 826 HE3 LYS 108 2HE LYS 108 14.110 -6.957 8.390 827 HZ1 LYS 108 1HZ LYS 108 16.178 -6.283 7.974 828 HZ2 LYS 108 2HZ LYS 108 15.895 -5.048 9.094 829 HZ3 LYS 108 3HZ LYS 108 15.690 -4.753 7.441 830 H PHE 109 H PHE 109 8.292 -4.160 7.801 831 HA PHE 109 HA PHE 109 7.929 -2.679 10.178 832 HB2 PHE 109 1HB PHE 109 7.586 -1.698 7.958 833 HB3 PHE 109 2HB PHE 109 6.215 -2.768 7.686 834 HD1 PHE 109 2HD PHE 109 7.442 0.041 9.747 835 HD2 PHE 109 1HD PHE 109 4.070 -2.229 8.484 836 HE1 PHE 109 2HE PHE 109 5.944 1.713 10.754 837 HE2 PHE 109 1HE PHE 109 2.567 -0.560 9.488 838 HZ PHE 109 HZ PHE 109 3.503 1.413 10.626 839 H LEU 110 H LEU 110 5.912 -5.106 8.558 840 HA LEU 110 HA LEU 110 3.775 -4.989 10.411 841 HB2 LEU 110 1HB LEU 110 4.619 -7.244 8.596 842 HB3 LEU 110 2HB LEU 110 3.066 -7.116 9.420 843 HG LEU 110 HG LEU 110 3.984 -5.047 7.443 844 HD11 LEU 110 1HD1 LEU 110 3.329 -6.259 5.659 845 HD12 LEU 110 2HD1 LEU 110 2.076 -7.114 6.559 846 HD13 LEU 110 3HD1 LEU 110 3.760 -7.619 6.696 847 HD21 LEU 110 1HD2 LEU 110 1.634 -5.522 9.071 848 HD22 LEU 110 2HD2 LEU 110 1.234 -5.374 7.360 849 HD23 LEU 110 3HD2 LEU 110 2.116 -4.081 8.175 850 H GLU 111 H GLU 111 6.224 -7.550 9.964 851 HA GLU 111 HA GLU 111 5.741 -9.160 12.065 852 HB2 GLU 111 1HB GLU 111 8.380 -8.199 10.985 853 HB3 GLU 111 2HB GLU 111 8.294 -9.398 12.267 854 HG2 GLU 111 1HG GLU 111 6.642 -10.562 10.555 855 HG3 GLU 111 2HG GLU 111 7.592 -9.629 9.400 856 H SER 112 H SER 112 7.362 -6.027 12.235 857 HA SER 112 HA SER 112 8.038 -6.170 14.981 858 HB2 SER 112 1HB SER 112 7.634 -3.768 13.183 859 HB3 SER 112 2HB SER 112 8.342 -3.706 14.797 860 HG SER 112 HG SER 112 9.991 -3.836 13.287 861 H GLY 113 H GLY 113 5.206 -4.994 13.245 862 HA2 GLY 113 1HA GLY 113 3.045 -5.195 14.338 863 HA3 GLY 113 2HA GLY 113 3.832 -4.753 15.846 864 H GLY 114 H GLY 114 4.568 -3.098 12.865 865 HA2 GLY 114 1HA GLY 114 3.735 -1.058 12.051 866 HA3 GLY 114 2HA GLY 114 2.745 -0.910 13.496 867 H GLN 115 H GLN 115 6.246 -1.394 13.105 868 HA GLN 115 HA GLN 115 6.650 1.034 14.721 869 HB2 GLN 115 1HB GLN 115 8.492 -1.342 14.403 870 HB3 GLN 115 2HB GLN 115 8.778 0.055 15.431 871 HG2 GLN 115 1HG GLN 115 6.783 -0.533 16.745 872 HG3 GLN 115 2HG GLN 115 6.570 -1.966 15.741 873 HE21 GLN 115 1HE2 GLN 115 6.966 -3.581 17.112 874 HE22 GLN 115 2HE2 GLN 115 8.422 -3.781 18.019 875 H SER 116 H SER 116 7.492 2.722 13.711 876 HA SER 116 HA SER 116 9.053 2.255 11.255 877 HB2 SER 116 1HB SER 116 6.791 3.537 11.177 878 HB3 SER 116 2HB SER 116 7.705 4.866 11.891 879 HG SER 116 HG SER 116 9.230 4.295 10.021 880 H GLY 117 H GLY 117 8.703 4.585 13.936 881 HA2 GLY 117 1HA GLY 117 11.507 4.558 14.486 882 HA3 GLY 117 2HA GLY 117 11.038 6.007 13.609 883 HA PRO 118 HA PRO 118 10.550 6.833 18.144 884 HB2 PRO 118 1HB PRO 118 11.776 9.254 18.074 885 HB3 PRO 118 2HB PRO 118 12.658 7.736 18.281 886 HG2 PRO 118 1HG PRO 118 12.260 9.373 15.806 887 HG3 PRO 118 2HG PRO 118 13.729 8.573 16.394 888 HD2 PRO 118 1HD PRO 118 12.176 7.515 14.444 889 HD3 PRO 118 2HD PRO 118 13.077 6.510 15.598 890 H SER 119 H SER 119 8.272 6.956 17.408 891 HA SER 119 HA SER 119 7.311 9.475 16.386 892 HB2 SER 119 1HB SER 119 6.311 7.113 15.987 893 HB3 SER 119 2HB SER 119 5.556 7.335 17.565 894 HG SER 119 HG SER 119 5.174 9.548 16.149 895 H SER 120 H SER 120 7.756 11.068 17.862 896 HA SER 120 HA SER 120 7.759 12.197 19.872 897 HB2 SER 120 1HB SER 120 5.552 12.846 20.515 898 HB3 SER 120 2HB SER 120 5.501 12.567 18.775 899 HG SER 120 HG SER 120 3.792 11.455 19.484 900 H GLY 121 H GLY 121 8.675 9.588 20.282 901 HA2 GLY 121 1HA GLY 121 8.878 9.225 22.908 902 HA3 GLY 121 2HA GLY 121 7.279 8.554 22.623
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